data_4L3N # _entry.id 4L3N # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4L3N RCSB RCSB080139 WWPDB D_1000080139 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4L3N _pdbx_database_status.recvd_initial_deposition_date 2013-06-06 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Chen, Y.' 1 'Rajashankar, K.R.' 2 'Yang, Y.' 3 'Agnihothram, S.S.' 4 'Liu, C.' 5 'Lin, Y.-L.' 6 'Baric, R.S.' 7 'Li, F.' 8 # _citation.id primary _citation.title 'Crystal structure of the receptor-binding domain from newly emerged middle East respiratory syndrome coronavirus.' _citation.journal_abbrev J.Virol. _citation.journal_volume 87 _citation.page_first 10777 _citation.page_last 10783 _citation.year 2013 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23903833 _citation.pdbx_database_id_DOI 10.1128/JVI.01756-13 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Chen, Y.' 1 primary 'Rajashankar, K.R.' 2 primary 'Yang, Y.' 3 primary 'Agnihothram, S.S.' 4 primary 'Liu, C.' 5 primary 'Lin, Y.L.' 6 primary 'Baric, R.S.' 7 primary 'Li, F.' 8 # _cell.entry_id 4L3N _cell.length_a 45.361 _cell.length_b 108.065 _cell.length_c 124.287 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _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 4L3N _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 'S protein' 23945.010 2 ? ? 'receptor-binding domain (UNP residues 379-588)' ? 2 non-polymer syn 1,2-ETHANEDIOL 62.068 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 4 water nat water 18.015 320 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;EGVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSV SSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRLLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDG DYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKLHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;EGVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSV SSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRLLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDG DYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKLHHHHHH ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 GLY n 1 3 VAL n 1 4 GLU n 1 5 CYS n 1 6 ASP n 1 7 PHE n 1 8 SER n 1 9 PRO n 1 10 LEU n 1 11 LEU n 1 12 SER n 1 13 GLY n 1 14 THR n 1 15 PRO n 1 16 PRO n 1 17 GLN n 1 18 VAL n 1 19 TYR n 1 20 ASN n 1 21 PHE n 1 22 LYS n 1 23 ARG n 1 24 LEU n 1 25 VAL n 1 26 PHE n 1 27 THR n 1 28 ASN n 1 29 CYS n 1 30 ASN n 1 31 TYR n 1 32 ASN n 1 33 LEU n 1 34 THR n 1 35 LYS n 1 36 LEU n 1 37 LEU n 1 38 SER n 1 39 LEU n 1 40 PHE n 1 41 SER n 1 42 VAL n 1 43 ASN n 1 44 ASP n 1 45 PHE n 1 46 THR n 1 47 CYS n 1 48 SER n 1 49 GLN n 1 50 ILE n 1 51 SER n 1 52 PRO n 1 53 ALA n 1 54 ALA n 1 55 ILE n 1 56 ALA n 1 57 SER n 1 58 ASN n 1 59 CYS n 1 60 TYR n 1 61 SER n 1 62 SER n 1 63 LEU n 1 64 ILE n 1 65 LEU n 1 66 ASP n 1 67 TYR n 1 68 PHE n 1 69 SER n 1 70 TYR n 1 71 PRO n 1 72 LEU n 1 73 SER n 1 74 MET n 1 75 LYS n 1 76 SER n 1 77 ASP n 1 78 LEU n 1 79 SER n 1 80 VAL n 1 81 SER n 1 82 SER n 1 83 ALA n 1 84 GLY n 1 85 PRO n 1 86 ILE n 1 87 SER n 1 88 GLN n 1 89 PHE n 1 90 ASN n 1 91 TYR n 1 92 LYS n 1 93 GLN n 1 94 SER n 1 95 PHE n 1 96 SER n 1 97 ASN n 1 98 PRO n 1 99 THR n 1 100 CYS n 1 101 LEU n 1 102 ILE n 1 103 LEU n 1 104 ALA n 1 105 THR n 1 106 VAL n 1 107 PRO n 1 108 HIS n 1 109 ASN n 1 110 LEU n 1 111 THR n 1 112 THR n 1 113 ILE n 1 114 THR n 1 115 LYS n 1 116 PRO n 1 117 LEU n 1 118 LYS n 1 119 TYR n 1 120 SER n 1 121 TYR n 1 122 ILE n 1 123 ASN n 1 124 LYS n 1 125 CYS n 1 126 SER n 1 127 ARG n 1 128 LEU n 1 129 LEU n 1 130 SER n 1 131 ASP n 1 132 ASP n 1 133 ARG n 1 134 THR n 1 135 GLU n 1 136 VAL n 1 137 PRO n 1 138 GLN n 1 139 LEU n 1 140 VAL n 1 141 ASN n 1 142 ALA n 1 143 ASN n 1 144 GLN n 1 145 TYR n 1 146 SER n 1 147 PRO n 1 148 CYS n 1 149 VAL n 1 150 SER n 1 151 ILE n 1 152 VAL n 1 153 PRO n 1 154 SER n 1 155 THR n 1 156 VAL n 1 157 TRP n 1 158 GLU n 1 159 ASP n 1 160 GLY n 1 161 ASP n 1 162 TYR n 1 163 TYR n 1 164 ARG n 1 165 LYS n 1 166 GLN n 1 167 LEU n 1 168 SER n 1 169 PRO n 1 170 LEU n 1 171 GLU n 1 172 GLY n 1 173 GLY n 1 174 GLY n 1 175 TRP n 1 176 LEU n 1 177 VAL n 1 178 ALA n 1 179 SER n 1 180 GLY n 1 181 SER n 1 182 THR n 1 183 VAL n 1 184 ALA n 1 185 MET n 1 186 THR n 1 187 GLU n 1 188 GLN n 1 189 LEU n 1 190 GLN n 1 191 MET n 1 192 GLY n 1 193 PHE n 1 194 GLY n 1 195 ILE n 1 196 THR n 1 197 VAL n 1 198 GLN n 1 199 TYR n 1 200 GLY n 1 201 THR n 1 202 ASP n 1 203 THR n 1 204 ASN n 1 205 SER n 1 206 VAL n 1 207 CYS n 1 208 PRO n 1 209 LYS n 1 210 LEU n 1 211 HIS n 1 212 HIS n 1 213 HIS n 1 214 HIS n 1 215 HIS n 1 216 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene S _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain Jordan-N3/2012 _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 'Human betacoronavirus 2c Jordan-N3/2012' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 1306931 _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code M4SVE7_9BETC _struct_ref.pdbx_db_accession M4SVE7 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;EGVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSV SSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRLLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDG DYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKL ; _struct_ref.pdbx_align_begin 379 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4L3N A 1 ? 210 ? M4SVE7 379 ? 588 ? 379 588 2 1 4L3N B 1 ? 210 ? M4SVE7 379 ? 588 ? 379 588 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4L3N HIS A 211 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 589 1 1 4L3N HIS A 212 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 590 2 1 4L3N HIS A 213 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 591 3 1 4L3N HIS A 214 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 592 4 1 4L3N HIS A 215 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 593 5 1 4L3N HIS A 216 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 594 6 2 4L3N HIS B 211 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 589 7 2 4L3N HIS B 212 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 590 8 2 4L3N HIS B 213 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 591 9 2 4L3N HIS B 214 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 592 10 2 4L3N HIS B 215 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 593 11 2 4L3N HIS B 216 ? UNP M4SVE7 ? ? 'EXPRESSION TAG' 594 12 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4L3N _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.18 _exptl_crystal.density_percent_sol 61.33 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.0 _exptl_crystal_grow.pdbx_details '27% v/v PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp ? _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 ? _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 'Cryo-Cooled double crystal Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97950 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 24-ID-C' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 24-ID-C _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97950 # _reflns.entry_id 4L3N _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 49.552 _reflns.d_resolution_high 2.13 _reflns.number_obs 34770 _reflns.number_all ? _reflns.percent_possible_obs ? _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _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.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.13 _reflns_shell.d_res_low ? _reflns_shell.percent_possible_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _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 ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4L3N _refine.ls_number_reflns_obs 33023 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 49.552 _refine.ls_d_res_high 2.13 _refine.ls_percent_reflns_obs 99.13 _refine.ls_R_factor_obs 0.14707 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.14405 _refine.ls_R_factor_R_free 0.20602 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1748 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.968 _refine.correlation_coeff_Fo_to_Fc_free 0.947 _refine.B_iso_mean 43.280 _refine.aniso_B[1][1] 2.99 _refine.aniso_B[2][2] -0.03 _refine.aniso_B[3][3] -2.96 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MIR _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free 0.150 _refine.overall_SU_ML 0.088 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 7.330 _refine.overall_SU_R_Cruickshank_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.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3233 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 120 _refine_hist.number_atoms_solvent 320 _refine_hist.number_atoms_total 3673 _refine_hist.d_res_high 2.13 _refine_hist.d_res_low 49.552 # 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_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.008 0.020 ? 3477 ? 'X-RAY DIFFRACTION' r_bond_other_d ? ? ? ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.335 2.009 ? 4762 ? 'X-RAY DIFFRACTION' r_angle_other_deg ? ? ? ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 6.137 5.000 ? 423 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 39.794 25.113 ? 133 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 14.689 15.000 ? 533 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11.772 15.000 ? 8 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.086 0.200 ? 563 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.004 0.021 ? 2590 ? 'X-RAY DIFFRACTION' r_gen_planes_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_hbond_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_hbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcbond_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcangle_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_scbond_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_scangle_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_rigid_bond_restr 2.797 3.000 ? 3477 ? 'X-RAY DIFFRACTION' r_sphericity_free 36.913 5.000 ? 146 ? 'X-RAY DIFFRACTION' r_sphericity_bonded 20.488 5.000 ? 3555 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 10 _refine_ls_shell.d_res_high 2.130 _refine_ls_shell.d_res_low 2.245 _refine_ls_shell.number_reflns_R_work 4607 _refine_ls_shell.R_factor_R_work 0.143 _refine_ls_shell.percent_reflns_obs 96.46 _refine_ls_shell.R_factor_R_free 0.239 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 250 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4L3N _struct.title 'Crystal structure of the receptor-binding domain from newly emerged Middle East respiratory syndrome coronavirus' _struct.pdbx_descriptor 'S protein' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4L3N _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' _struct_keywords.text 'beta-sheet fold, VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 2 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 4 ? # _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 PHE A 7 ? SER A 12 ? PHE A 385 SER A 390 1 ? 6 HELX_P HELX_P2 2 GLN A 17 ? PHE A 21 ? GLN A 395 PHE A 399 5 ? 5 HELX_P HELX_P3 3 ASN A 32 ? SER A 38 ? ASN A 410 SER A 416 1 ? 7 HELX_P HELX_P4 4 SER A 51 ? ALA A 56 ? SER A 429 ALA A 434 1 ? 6 HELX_P HELX_P5 5 PRO A 71 ? SER A 79 ? PRO A 449 SER A 457 5 ? 9 HELX_P HELX_P6 6 GLY A 84 ? ASN A 90 ? GLY A 462 ASN A 468 1 ? 7 HELX_P HELX_P7 7 SER A 146 ? ILE A 151 ? SER A 524 ILE A 529 5 ? 6 HELX_P HELX_P8 8 SER A 168 ? GLY A 172 ? SER A 546 GLY A 550 5 ? 5 HELX_P HELX_P9 9 PHE B 7 ? SER B 12 ? PHE B 385 SER B 390 5 ? 6 HELX_P HELX_P10 10 GLN B 17 ? PHE B 21 ? GLN B 395 PHE B 399 5 ? 5 HELX_P HELX_P11 11 ASN B 32 ? LEU B 39 ? ASN B 410 LEU B 417 1 ? 8 HELX_P HELX_P12 12 SER B 51 ? ALA B 56 ? SER B 429 ALA B 434 1 ? 6 HELX_P HELX_P13 13 PRO B 71 ? SER B 73 ? PRO B 449 SER B 451 5 ? 3 HELX_P HELX_P14 14 MET B 74 ? VAL B 80 ? MET B 452 VAL B 458 1 ? 7 HELX_P HELX_P15 15 SER B 81 ? ALA B 83 ? SER B 459 ALA B 461 5 ? 3 HELX_P HELX_P16 16 GLY B 84 ? ASN B 90 ? GLY B 462 ASN B 468 1 ? 7 HELX_P HELX_P17 17 SER B 146 ? ILE B 151 ? SER B 524 ILE B 529 5 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 5 SG ? ? ? 1_555 A CYS 29 SG ? ? A CYS 383 A CYS 407 1_555 ? ? ? ? ? ? ? 2.078 ? disulf2 disulf ? ? A CYS 47 SG ? ? ? 1_555 A CYS 100 SG ? ? A CYS 425 A CYS 478 1_555 ? ? ? ? ? ? ? 2.081 ? disulf3 disulf ? ? A CYS 59 SG ? ? ? 1_555 A CYS 207 SG ? ? A CYS 437 A CYS 585 1_555 ? ? ? ? ? ? ? 2.124 ? disulf4 disulf ? ? A CYS 125 SG ? ? ? 1_555 A CYS 148 SG ? ? A CYS 503 A CYS 526 1_555 ? ? ? ? ? ? ? 2.024 ? disulf5 disulf ? ? B CYS 5 SG ? ? ? 1_555 B CYS 29 SG ? ? B CYS 383 B CYS 407 1_555 ? ? ? ? ? ? ? 2.045 ? disulf6 disulf ? ? B CYS 47 SG ? ? ? 1_555 B CYS 100 SG ? ? B CYS 425 B CYS 478 1_555 ? ? ? ? ? ? ? 2.072 ? disulf7 disulf ? ? B CYS 59 SG ? ? ? 1_555 B CYS 207 SG ? ? B CYS 437 B CYS 585 1_555 ? ? ? ? ? ? ? 2.096 ? disulf8 disulf ? ? B CYS 125 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 503 B CYS 526 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 109 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 487 A NAG 1003 1_555 ? ? ? ? ? ? ? 1.444 ? covale2 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 1003 A NAG 1004 1_555 ? ? ? ? ? ? ? 1.445 ? covale3 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? B NAG 1003 B NAG 1004 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 1001 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale ? ? B ASN 109 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 487 B NAG 1003 1_555 ? ? ? ? ? ? ? 1.446 ? covale6 covale ? ? A ASN 32 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 410 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.448 ? covale7 covale ? ? B ASN 32 ND2 ? ? ? 1_555 I NAG . C1 ? ? B ASN 410 B NAG 1001 1_555 ? ? ? ? ? ? ? 1.448 ? covale8 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? B NAG 1001 B NAG 1002 1_555 ? ? ? ? ? ? ? 1.456 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 2 ? C ? 4 ? D ? 5 ? E ? 2 ? F ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel E 1 2 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 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 LYS A 22 ? PHE A 26 ? LYS A 400 PHE A 404 A 2 SER A 62 ? SER A 69 ? SER A 440 SER A 447 A 3 GLN A 190 ? GLN A 198 ? GLN A 568 GLN A 576 A 4 THR A 99 ? THR A 105 ? THR A 477 THR A 483 A 5 SER A 41 ? SER A 48 ? SER A 419 SER A 426 B 1 CYS A 29 ? TYR A 31 ? CYS A 407 TYR A 409 B 2 VAL A 206 ? PRO A 208 ? VAL A 584 PRO A 586 C 1 GLU A 135 ? PRO A 137 ? GLU A 513 PRO A 515 C 2 LYS A 118 ? LEU A 128 ? LYS A 496 LEU A 506 C 3 TRP A 175 ? ALA A 184 ? TRP A 553 ALA A 562 C 4 TYR A 162 ? GLN A 166 ? TYR A 540 GLN A 544 D 1 LYS B 22 ? PHE B 26 ? LYS B 400 PHE B 404 D 2 SER B 62 ? SER B 69 ? SER B 440 SER B 447 D 3 GLN B 190 ? GLN B 198 ? GLN B 568 GLN B 576 D 4 THR B 99 ? THR B 105 ? THR B 477 THR B 483 D 5 SER B 41 ? SER B 48 ? SER B 419 SER B 426 E 1 CYS B 29 ? TYR B 31 ? CYS B 407 TYR B 409 E 2 VAL B 206 ? PRO B 208 ? VAL B 584 PRO B 586 F 1 GLU B 135 ? PRO B 137 ? GLU B 513 PRO B 515 F 2 LYS B 118 ? LEU B 128 ? LYS B 496 LEU B 506 F 3 TRP B 175 ? ALA B 184 ? TRP B 553 ALA B 562 F 4 TYR B 162 ? GLN B 166 ? TYR B 540 GLN B 544 # 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 LEU A 24 ? N LEU A 402 O LEU A 65 ? O LEU A 443 A 2 3 N ASP A 66 ? N ASP A 444 O GLY A 194 ? O GLY A 572 A 3 4 O PHE A 193 ? O PHE A 571 N ILE A 102 ? N ILE A 480 A 4 5 O LEU A 101 ? O LEU A 479 N THR A 46 ? N THR A 424 B 1 2 N TYR A 31 ? N TYR A 409 O CYS A 207 ? O CYS A 585 C 1 2 O VAL A 136 ? O VAL A 514 N ARG A 127 ? N ARG A 505 C 2 3 N SER A 126 ? N SER A 504 O VAL A 177 ? O VAL A 555 C 3 4 O ALA A 178 ? O ALA A 556 N TYR A 163 ? N TYR A 541 D 1 2 N LEU B 24 ? N LEU B 402 O LEU B 65 ? O LEU B 443 D 2 3 N ASP B 66 ? N ASP B 444 O GLY B 194 ? O GLY B 572 D 3 4 O MET B 191 ? O MET B 569 N ALA B 104 ? N ALA B 482 D 4 5 O THR B 99 ? O THR B 477 N SER B 48 ? N SER B 426 E 1 2 N TYR B 31 ? N TYR B 409 O CYS B 207 ? O CYS B 585 F 1 2 O VAL B 136 ? O VAL B 514 N ARG B 127 ? N ARG B 505 F 2 3 N LEU B 128 ? N LEU B 506 O TRP B 175 ? O TRP B 553 F 3 4 O LEU B 176 ? O LEU B 554 N LYS B 165 ? N LYS B 543 # 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 ? ? ? ? 2 'BINDING SITE FOR RESIDUE EDO A 1000' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO B 1000' AC3 Software ? ? ? ? 5 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 410 RESIDUES 1001 TO 1002' AC4 Software ? ? ? ? 3 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 487 RESIDUES 1003 TO 1004' AC5 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 410 RESIDUES 1001 TO 1002' AC6 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 487 RESIDUES 1003 TO 1004' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 LYS A 118 ? LYS A 496 . ? 1_555 ? 2 AC1 2 TRP A 157 ? TRP A 535 . ? 1_555 ? 3 AC2 5 LEU B 117 ? LEU B 495 . ? 1_555 ? 4 AC2 5 LYS B 118 ? LYS B 496 . ? 1_555 ? 5 AC2 5 TRP B 157 ? TRP B 535 . ? 1_555 ? 6 AC2 5 HOH N . ? HOH B 1173 . ? 1_555 ? 7 AC2 5 HOH N . ? HOH B 1182 . ? 1_555 ? 8 AC3 5 ASN A 32 ? ASN A 410 . ? 1_555 ? 9 AC3 5 LYS A 35 ? LYS A 413 . ? 1_555 ? 10 AC3 5 LYS A 209 ? LYS A 587 . ? 1_555 ? 11 AC3 5 LEU A 210 ? LEU A 588 . ? 1_555 ? 12 AC3 5 HOH M . ? HOH A 1116 . ? 1_555 ? 13 AC4 3 PHE A 40 ? PHE A 418 . ? 1_555 ? 14 AC4 3 PRO A 107 ? PRO A 485 . ? 1_555 ? 15 AC4 3 ASN A 109 ? ASN A 487 . ? 1_555 ? 16 AC5 4 ASN B 32 ? ASN B 410 . ? 1_555 ? 17 AC5 4 LYS B 35 ? LYS B 413 . ? 1_555 ? 18 AC5 4 LYS B 209 ? LYS B 587 . ? 1_555 ? 19 AC5 4 LEU B 210 ? LEU B 588 . ? 1_555 ? 20 AC6 4 SER B 38 ? SER B 416 . ? 1_555 ? 21 AC6 4 PHE B 40 ? PHE B 418 . ? 1_555 ? 22 AC6 4 ASN B 109 ? ASN B 487 . ? 1_555 ? 23 AC6 4 HOH N . ? HOH B 1141 . ? 1_555 ? # _database_PDB_matrix.entry_id 4L3N _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4L3N _atom_sites.fract_transf_matrix[1][1] 0.022045 _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] 0.009254 _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] 0.008046 _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 . GLY A 1 2 ? 34.622 46.209 78.572 1.00 74.86 ? 380 GLY A N 1 ATOM 2 C CA . GLY A 1 2 ? 34.704 47.693 78.680 1.00 73.06 ? 380 GLY A CA 1 ATOM 3 C C . GLY A 1 2 ? 33.565 48.303 79.481 1.00 67.45 ? 380 GLY A C 1 ATOM 4 O O . GLY A 1 2 ? 32.602 47.617 79.834 1.00 73.68 ? 380 GLY A O 1 ATOM 5 N N . VAL A 1 3 ? 33.672 49.600 79.754 1.00 56.08 ? 381 VAL A N 1 ATOM 6 C CA . VAL A 1 3 ? 32.710 50.305 80.606 1.00 51.88 ? 381 VAL A CA 1 ATOM 7 C C . VAL A 1 3 ? 31.517 50.877 79.815 1.00 44.64 ? 381 VAL A C 1 ATOM 8 O O . VAL A 1 3 ? 31.635 51.165 78.624 1.00 36.24 ? 381 VAL A O 1 ATOM 9 C CB . VAL A 1 3 ? 33.418 51.407 81.436 1.00 58.78 ? 381 VAL A CB 1 ATOM 10 C CG1 . VAL A 1 3 ? 33.876 52.558 80.544 1.00 52.97 ? 381 VAL A CG1 1 ATOM 11 C CG2 . VAL A 1 3 ? 32.526 51.904 82.571 1.00 67.43 ? 381 VAL A CG2 1 ATOM 12 N N . GLU A 1 4 ? 30.375 51.022 80.485 1.00 40.59 ? 382 GLU A N 1 ATOM 13 C CA . GLU A 1 4 ? 29.173 51.605 79.880 1.00 43.44 ? 382 GLU A CA 1 ATOM 14 C C . GLU A 1 4 ? 29.264 53.127 79.747 1.00 39.78 ? 382 GLU A C 1 ATOM 15 O O . GLU A 1 4 ? 29.670 53.815 80.688 1.00 34.02 ? 382 GLU A O 1 ATOM 16 C CB . GLU A 1 4 ? 27.941 51.247 80.713 1.00 46.21 ? 382 GLU A CB 1 ATOM 17 C CG . GLU A 1 4 ? 27.528 49.788 80.603 1.00 57.77 ? 382 GLU A CG 1 ATOM 18 C CD . GLU A 1 4 ? 26.204 49.495 81.279 1.00 78.38 ? 382 GLU A CD 1 ATOM 19 O OE1 . GLU A 1 4 ? 26.010 48.341 81.724 1.00 91.81 ? 382 GLU A OE1 1 ATOM 20 O OE2 . GLU A 1 4 ? 25.358 50.413 81.367 1.00 88.40 ? 382 GLU A OE2 1 ATOM 21 N N . CYS A 1 5 ? 28.875 53.655 78.587 1.00 37.14 ? 383 CYS A N 1 ATOM 22 C CA . CYS A 1 5 ? 28.798 55.107 78.418 1.00 38.87 ? 383 CYS A CA 1 ATOM 23 C C . CYS A 1 5 ? 27.825 55.666 79.458 1.00 35.86 ? 383 CYS A C 1 ATOM 24 O O . CYS A 1 5 ? 26.747 55.103 79.682 1.00 38.43 ? 383 CYS A O 1 ATOM 25 C CB . CYS A 1 5 ? 28.357 55.491 76.999 1.00 39.65 ? 383 CYS A CB 1 ATOM 26 S SG . CYS A 1 5 ? 29.347 54.810 75.638 1.00 41.09 ? 383 CYS A SG 1 ATOM 27 N N . ASP A 1 6 ? 28.217 56.760 80.104 1.00 37.02 ? 384 ASP A N 1 ATOM 28 C CA . ASP A 1 6 ? 27.433 57.332 81.203 1.00 37.83 ? 384 ASP A CA 1 ATOM 29 C C . ASP A 1 6 ? 26.542 58.492 80.744 1.00 35.73 ? 384 ASP A C 1 ATOM 30 O O . ASP A 1 6 ? 27.022 59.621 80.553 1.00 32.07 ? 384 ASP A O 1 ATOM 31 C CB . ASP A 1 6 ? 28.358 57.780 82.338 1.00 40.07 ? 384 ASP A CB 1 ATOM 32 C CG . ASP A 1 6 ? 27.592 58.371 83.515 1.00 46.60 ? 384 ASP A CG 1 ATOM 33 O OD1 . ASP A 1 6 ? 26.369 58.137 83.624 1.00 47.12 ? 384 ASP A OD1 1 ATOM 34 O OD2 . ASP A 1 6 ? 28.212 59.077 84.332 1.00 52.47 ? 384 ASP A OD2 1 ATOM 35 N N . PHE A 1 7 ? 25.246 58.205 80.589 1.00 35.14 ? 385 PHE A N 1 ATOM 36 C CA . PHE A 1 7 ? 24.278 59.185 80.118 1.00 36.23 ? 385 PHE A CA 1 ATOM 37 C C . PHE A 1 7 ? 23.576 59.942 81.248 1.00 36.56 ? 385 PHE A C 1 ATOM 38 O O . PHE A 1 7 ? 22.683 60.744 80.992 1.00 35.68 ? 385 PHE A O 1 ATOM 39 C CB . PHE A 1 7 ? 23.230 58.517 79.222 1.00 35.10 ? 385 PHE A CB 1 ATOM 40 C CG . PHE A 1 7 ? 23.781 57.988 77.931 1.00 36.49 ? 385 PHE A CG 1 ATOM 41 C CD1 . PHE A 1 7 ? 24.117 58.850 76.896 1.00 39.85 ? 385 PHE A CD1 1 ATOM 42 C CD2 . PHE A 1 7 ? 23.965 56.619 77.745 1.00 39.90 ? 385 PHE A CD2 1 ATOM 43 C CE1 . PHE A 1 7 ? 24.633 58.364 75.699 1.00 39.93 ? 385 PHE A CE1 1 ATOM 44 C CE2 . PHE A 1 7 ? 24.473 56.128 76.553 1.00 44.56 ? 385 PHE A CE2 1 ATOM 45 C CZ . PHE A 1 7 ? 24.813 57.002 75.526 1.00 37.45 ? 385 PHE A CZ 1 ATOM 46 N N . SER A 1 8 ? 23.989 59.708 82.489 1.00 35.14 ? 386 SER A N 1 ATOM 47 C CA . SER A 1 8 ? 23.260 60.242 83.637 1.00 36.79 ? 386 SER A CA 1 ATOM 48 C C . SER A 1 8 ? 23.121 61.777 83.740 1.00 32.16 ? 386 SER A C 1 ATOM 49 O O . SER A 1 8 ? 22.080 62.238 84.207 1.00 37.19 ? 386 SER A O 1 ATOM 50 C CB . SER A 1 8 ? 23.775 59.639 84.948 1.00 40.29 ? 386 SER A CB 1 ATOM 51 O OG . SER A 1 8 ? 25.094 60.061 85.183 1.00 48.47 ? 386 SER A OG 1 ATOM 52 N N . PRO A 1 9 ? 24.133 62.569 83.292 1.00 31.66 ? 387 PRO A N 1 ATOM 53 C CA . PRO A 1 9 ? 23.943 64.034 83.320 1.00 34.75 ? 387 PRO A CA 1 ATOM 54 C C . PRO A 1 9 ? 22.705 64.507 82.543 1.00 33.90 ? 387 PRO A C 1 ATOM 55 O O . PRO A 1 9 ? 22.032 65.460 82.954 1.00 31.09 ? 387 PRO A O 1 ATOM 56 C CB . PRO A 1 9 ? 25.214 64.573 82.654 1.00 37.19 ? 387 PRO A CB 1 ATOM 57 C CG . PRO A 1 9 ? 26.233 63.506 82.876 1.00 40.09 ? 387 PRO A CG 1 ATOM 58 C CD . PRO A 1 9 ? 25.481 62.211 82.794 1.00 34.16 ? 387 PRO A CD 1 ATOM 59 N N . LEU A 1 10 ? 22.409 63.831 81.438 1.00 33.35 ? 388 LEU A N 1 ATOM 60 C CA . LEU A 1 10 ? 21.218 64.106 80.654 1.00 33.88 ? 388 LEU A CA 1 ATOM 61 C C . LEU A 1 10 ? 19.949 63.921 81.490 1.00 33.90 ? 388 LEU A C 1 ATOM 62 O O . LEU A 1 10 ? 18.985 64.687 81.354 1.00 33.70 ? 388 LEU A O 1 ATOM 63 C CB . LEU A 1 10 ? 21.200 63.193 79.422 1.00 38.41 ? 388 LEU A CB 1 ATOM 64 C CG . LEU A 1 10 ? 20.062 63.303 78.412 1.00 47.66 ? 388 LEU A CG 1 ATOM 65 C CD1 . LEU A 1 10 ? 20.563 62.967 77.022 1.00 55.28 ? 388 LEU A CD1 1 ATOM 66 C CD2 . LEU A 1 10 ? 18.944 62.361 78.790 1.00 49.72 ? 388 LEU A CD2 1 ATOM 67 N N . LEU A 1 11 ? 19.958 62.909 82.358 1.00 30.99 ? 389 LEU A N 1 ATOM 68 C CA . LEU A 1 11 ? 18.771 62.541 83.131 1.00 29.35 ? 389 LEU A CA 1 ATOM 69 C C . LEU A 1 11 ? 18.669 63.271 84.471 1.00 31.37 ? 389 LEU A C 1 ATOM 70 O O . LEU A 1 11 ? 17.725 63.053 85.231 1.00 34.32 ? 389 LEU A O 1 ATOM 71 C CB . LEU A 1 11 ? 18.717 61.025 83.341 1.00 25.78 ? 389 LEU A CB 1 ATOM 72 C CG . LEU A 1 11 ? 18.813 60.189 82.060 1.00 29.34 ? 389 LEU A CG 1 ATOM 73 C CD1 . LEU A 1 11 ? 19.131 58.730 82.376 1.00 30.52 ? 389 LEU A CD1 1 ATOM 74 C CD2 . LEU A 1 11 ? 17.534 60.301 81.245 1.00 31.16 ? 389 LEU A CD2 1 ATOM 75 N N . SER A 1 12 ? 19.619 64.157 84.740 1.00 32.85 ? 390 SER A N 1 ATOM 76 C CA . SER A 1 12 ? 19.733 64.786 86.058 1.00 37.26 ? 390 SER A CA 1 ATOM 77 C C . SER A 1 12 ? 19.448 66.286 86.023 1.00 35.06 ? 390 SER A C 1 ATOM 78 O O . SER A 1 12 ? 20.176 67.039 85.390 1.00 40.48 ? 390 SER A O 1 ATOM 79 C CB . SER A 1 12 ? 21.138 64.529 86.611 1.00 42.84 ? 390 SER A CB 1 ATOM 80 O OG . SER A 1 12 ? 21.268 65.064 87.911 1.00 59.02 ? 390 SER A OG 1 ATOM 81 N N . GLY A 1 13 ? 18.395 66.723 86.701 1.00 35.17 ? 391 GLY A N 1 ATOM 82 C CA . GLY A 1 13 ? 18.162 68.167 86.893 1.00 34.91 ? 391 GLY A CA 1 ATOM 83 C C . GLY A 1 13 ? 17.512 68.854 85.703 1.00 30.29 ? 391 GLY A C 1 ATOM 84 O O . GLY A 1 13 ? 16.886 68.209 84.881 1.00 35.24 ? 391 GLY A O 1 ATOM 85 N N . THR A 1 14 ? 17.679 70.169 85.609 1.00 31.11 ? 392 THR A N 1 ATOM 86 C CA . THR A 1 14 ? 16.983 70.990 84.618 1.00 29.48 ? 392 THR A CA 1 ATOM 87 C C . THR A 1 14 ? 17.843 71.182 83.372 1.00 27.53 ? 392 THR A C 1 ATOM 88 O O . THR A 1 14 ? 18.903 71.797 83.449 1.00 28.38 ? 392 THR A O 1 ATOM 89 C CB . THR A 1 14 ? 16.649 72.364 85.218 1.00 32.77 ? 392 THR A CB 1 ATOM 90 O OG1 . THR A 1 14 ? 15.901 72.169 86.420 1.00 33.65 ? 392 THR A OG1 1 ATOM 91 C CG2 . THR A 1 14 ? 15.843 73.225 84.242 1.00 28.35 ? 392 THR A CG2 1 ATOM 92 N N . PRO A 1 15 ? 17.387 70.661 82.216 1.00 25.20 ? 393 PRO A N 1 ATOM 93 C CA . PRO A 1 15 ? 18.192 70.792 81.004 1.00 25.27 ? 393 PRO A CA 1 ATOM 94 C C . PRO A 1 15 ? 18.307 72.265 80.596 1.00 23.58 ? 393 PRO A C 1 ATOM 95 O O . PRO A 1 15 ? 17.374 73.038 80.824 1.00 25.85 ? 393 PRO A O 1 ATOM 96 C CB . PRO A 1 15 ? 17.394 69.996 79.951 1.00 23.74 ? 393 PRO A CB 1 ATOM 97 C CG . PRO A 1 15 ? 16.398 69.195 80.731 1.00 24.17 ? 393 PRO A CG 1 ATOM 98 C CD . PRO A 1 15 ? 16.093 70.019 81.944 1.00 22.62 ? 393 PRO A CD 1 ATOM 99 N N . PRO A 1 16 ? 19.445 72.654 80.003 1.00 21.90 ? 394 PRO A N 1 ATOM 100 C CA . PRO A 1 16 ? 19.653 74.050 79.597 1.00 21.08 ? 394 PRO A CA 1 ATOM 101 C C . PRO A 1 16 ? 18.801 74.413 78.372 1.00 22.71 ? 394 PRO A C 1 ATOM 102 O O . PRO A 1 16 ? 18.208 73.525 77.738 1.00 23.44 ? 394 PRO A O 1 ATOM 103 C CB . PRO A 1 16 ? 21.133 74.071 79.229 1.00 22.30 ? 394 PRO A CB 1 ATOM 104 C CG . PRO A 1 16 ? 21.389 72.681 78.697 1.00 19.58 ? 394 PRO A CG 1 ATOM 105 C CD . PRO A 1 16 ? 20.582 71.791 79.614 1.00 19.91 ? 394 PRO A CD 1 ATOM 106 N N . GLN A 1 17 ? 18.719 75.701 78.052 1.00 20.64 ? 395 GLN A N 1 ATOM 107 C CA . GLN A 1 17 ? 18.061 76.126 76.817 1.00 21.57 ? 395 GLN A CA 1 ATOM 108 C C . GLN A 1 17 ? 18.981 75.854 75.631 1.00 21.78 ? 395 GLN A C 1 ATOM 109 O O . GLN A 1 17 ? 20.179 75.606 75.816 1.00 21.54 ? 395 GLN A O 1 ATOM 110 C CB . GLN A 1 17 ? 17.649 77.602 76.887 1.00 19.69 ? 395 GLN A CB 1 ATOM 111 C CG . GLN A 1 17 ? 16.718 77.897 78.062 1.00 20.83 ? 395 GLN A CG 1 ATOM 112 C CD . GLN A 1 17 ? 15.458 77.043 78.012 1.00 22.38 ? 395 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 17 ? 14.783 76.987 76.981 1.00 21.65 ? 395 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 17 ? 15.142 76.356 79.122 1.00 23.94 ? 395 GLN A NE2 1 ATOM 115 N N . VAL A 1 18 ? 18.418 75.912 74.423 1.00 19.80 ? 396 VAL A N 1 ATOM 116 C CA . VAL A 1 18 ? 19.095 75.451 73.208 1.00 19.69 ? 396 VAL A CA 1 ATOM 117 C C . VAL A 1 18 ? 20.446 76.147 72.943 1.00 21.76 ? 396 VAL A C 1 ATOM 118 O O . VAL A 1 18 ? 21.418 75.490 72.563 1.00 22.27 ? 396 VAL A O 1 ATOM 119 C CB . VAL A 1 18 ? 18.141 75.501 71.977 1.00 19.90 ? 396 VAL A CB 1 ATOM 120 C CG1 . VAL A 1 18 ? 17.614 76.928 71.700 1.00 19.71 ? 396 VAL A CG1 1 ATOM 121 C CG2 . VAL A 1 18 ? 18.796 74.902 70.741 1.00 19.98 ? 396 VAL A CG2 1 ATOM 122 N N . TYR A 1 19 ? 20.505 77.461 73.172 1.00 20.42 ? 397 TYR A N 1 ATOM 123 C CA . TYR A 1 19 ? 21.735 78.234 72.971 1.00 19.50 ? 397 TYR A CA 1 ATOM 124 C C . TYR A 1 19 ? 22.794 77.958 74.056 1.00 21.68 ? 397 TYR A C 1 ATOM 125 O O . TYR A 1 19 ? 23.959 78.351 73.902 1.00 22.29 ? 397 TYR A O 1 ATOM 126 C CB . TYR A 1 19 ? 21.448 79.736 72.831 1.00 17.19 ? 397 TYR A CB 1 ATOM 127 C CG . TYR A 1 19 ? 20.714 80.352 74.015 1.00 20.29 ? 397 TYR A CG 1 ATOM 128 C CD1 . TYR A 1 19 ? 19.318 80.337 74.072 1.00 19.50 ? 397 TYR A CD1 1 ATOM 129 C CD2 . TYR A 1 19 ? 21.416 80.954 75.071 1.00 18.10 ? 397 TYR A CD2 1 ATOM 130 C CE1 . TYR A 1 19 ? 18.639 80.900 75.140 1.00 20.04 ? 397 TYR A CE1 1 ATOM 131 C CE2 . TYR A 1 19 ? 20.739 81.518 76.150 1.00 18.84 ? 397 TYR A CE2 1 ATOM 132 C CZ . TYR A 1 19 ? 19.347 81.487 76.170 1.00 21.34 ? 397 TYR A CZ 1 ATOM 133 O OH . TYR A 1 19 ? 18.649 82.032 77.213 1.00 23.05 ? 397 TYR A OH 1 ATOM 134 N N . ASN A 1 20 ? 22.390 77.290 75.142 1.00 20.32 ? 398 ASN A N 1 ATOM 135 C CA . ASN A 1 20 ? 23.339 76.827 76.159 1.00 21.74 ? 398 ASN A CA 1 ATOM 136 C C . ASN A 1 20 ? 23.419 75.295 76.190 1.00 21.10 ? 398 ASN A C 1 ATOM 137 O O . ASN A 1 20 ? 23.635 74.712 77.254 1.00 22.80 ? 398 ASN A O 1 ATOM 138 C CB . ASN A 1 20 ? 22.945 77.318 77.566 1.00 25.73 ? 398 ASN A CB 1 ATOM 139 C CG . ASN A 1 20 ? 23.116 78.817 77.762 1.00 28.73 ? 398 ASN A CG 1 ATOM 140 O OD1 . ASN A 1 20 ? 23.912 79.487 77.091 1.00 30.42 ? 398 ASN A OD1 1 ATOM 141 N ND2 . ASN A 1 20 ? 22.382 79.348 78.722 1.00 27.67 ? 398 ASN A ND2 1 ATOM 142 N N . PHE A 1 21 ? 23.236 74.638 75.041 1.00 20.54 ? 399 PHE A N 1 ATOM 143 C CA . PHE A 1 21 ? 23.187 73.174 74.995 1.00 20.07 ? 399 PHE A CA 1 ATOM 144 C C . PHE A 1 21 ? 24.355 72.546 75.776 1.00 21.74 ? 399 PHE A C 1 ATOM 145 O O . PHE A 1 21 ? 25.480 73.047 75.753 1.00 21.89 ? 399 PHE A O 1 ATOM 146 C CB . PHE A 1 21 ? 23.163 72.660 73.549 1.00 19.86 ? 399 PHE A CB 1 ATOM 147 C CG . PHE A 1 21 ? 24.396 73.014 72.750 1.00 19.32 ? 399 PHE A CG 1 ATOM 148 C CD1 . PHE A 1 21 ? 24.472 74.219 72.049 1.00 18.72 ? 399 PHE A CD1 1 ATOM 149 C CD2 . PHE A 1 21 ? 25.475 72.141 72.695 1.00 18.96 ? 399 PHE A CD2 1 ATOM 150 C CE1 . PHE A 1 21 ? 25.602 74.550 71.313 1.00 20.37 ? 399 PHE A CE1 1 ATOM 151 C CE2 . PHE A 1 21 ? 26.605 72.462 71.965 1.00 19.28 ? 399 PHE A CE2 1 ATOM 152 C CZ . PHE A 1 21 ? 26.673 73.667 71.271 1.00 20.54 ? 399 PHE A CZ 1 ATOM 153 N N . LYS A 1 22 ? 24.070 71.458 76.475 1.00 22.11 ? 400 LYS A N 1 ATOM 154 C CA . LYS A 1 22 ? 25.088 70.718 77.197 1.00 23.66 ? 400 LYS A CA 1 ATOM 155 C C . LYS A 1 22 ? 25.616 69.638 76.277 1.00 23.51 ? 400 LYS A C 1 ATOM 156 O O . LYS A 1 22 ? 24.841 69.001 75.570 1.00 24.54 ? 400 LYS A O 1 ATOM 157 C CB . LYS A 1 22 ? 24.468 70.048 78.413 1.00 29.24 ? 400 LYS A CB 1 ATOM 158 C CG . LYS A 1 22 ? 25.228 70.246 79.700 1.00 45.66 ? 400 LYS A CG 1 ATOM 159 C CD . LYS A 1 22 ? 24.762 71.535 80.345 1.00 53.04 ? 400 LYS A CD 1 ATOM 160 C CE . LYS A 1 22 ? 24.522 71.377 81.833 1.00 58.91 ? 400 LYS A CE 1 ATOM 161 N NZ . LYS A 1 22 ? 23.803 72.579 82.326 1.00 57.66 ? 400 LYS A NZ 1 ATOM 162 N N . ARG A 1 23 ? 26.922 69.407 76.321 1.00 24.91 ? 401 ARG A N 1 ATOM 163 C CA . ARG A 1 23 ? 27.589 68.478 75.419 1.00 28.93 ? 401 ARG A CA 1 ATOM 164 C C . ARG A 1 23 ? 28.210 67.345 76.224 1.00 29.84 ? 401 ARG A C 1 ATOM 165 O O . ARG A 1 23 ? 28.984 67.605 77.132 1.00 29.41 ? 401 ARG A O 1 ATOM 166 C CB . ARG A 1 23 ? 28.705 69.218 74.694 1.00 33.61 ? 401 ARG A CB 1 ATOM 167 C CG . ARG A 1 23 ? 29.532 68.384 73.723 1.00 36.26 ? 401 ARG A CG 1 ATOM 168 C CD . ARG A 1 23 ? 29.018 68.718 72.348 1.00 42.04 ? 401 ARG A CD 1 ATOM 169 N NE . ARG A 1 23 ? 30.076 69.041 71.431 1.00 42.13 ? 401 ARG A NE 1 ATOM 170 C CZ . ARG A 1 23 ? 29.877 69.407 70.173 1.00 37.83 ? 401 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 23 ? 28.640 69.501 69.678 1.00 34.28 ? 401 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 23 ? 30.928 69.668 69.416 1.00 40.00 ? 401 ARG A NH2 1 ATOM 173 N N . LEU A 1 24 ? 27.853 66.102 75.889 1.00 29.72 ? 402 LEU A N 1 ATOM 174 C CA . LEU A 1 24 ? 28.479 64.903 76.448 1.00 30.65 ? 402 LEU A CA 1 ATOM 175 C C . LEU A 1 24 ? 29.322 64.252 75.348 1.00 32.54 ? 402 LEU A C 1 ATOM 176 O O . LEU A 1 24 ? 28.847 64.104 74.222 1.00 28.95 ? 402 LEU A O 1 ATOM 177 C CB . LEU A 1 24 ? 27.400 63.927 76.938 1.00 31.60 ? 402 LEU A CB 1 ATOM 178 C CG . LEU A 1 24 ? 26.928 63.950 78.401 1.00 38.48 ? 402 LEU A CG 1 ATOM 179 C CD1 . LEU A 1 24 ? 27.080 65.301 79.091 1.00 37.20 ? 402 LEU A CD1 1 ATOM 180 C CD2 . LEU A 1 24 ? 25.496 63.443 78.528 1.00 34.02 ? 402 LEU A CD2 1 ATOM 181 N N . VAL A 1 25 ? 30.568 63.890 75.668 1.00 32.51 ? 403 VAL A N 1 ATOM 182 C CA . VAL A 1 25 ? 31.511 63.316 74.688 1.00 30.36 ? 403 VAL A CA 1 ATOM 183 C C . VAL A 1 25 ? 31.916 61.911 75.132 1.00 31.95 ? 403 VAL A C 1 ATOM 184 O O . VAL A 1 25 ? 32.376 61.720 76.264 1.00 37.40 ? 403 VAL A O 1 ATOM 185 C CB . VAL A 1 25 ? 32.777 64.192 74.511 1.00 32.19 ? 403 VAL A CB 1 ATOM 186 C CG1 . VAL A 1 25 ? 33.747 63.549 73.531 1.00 33.50 ? 403 VAL A CG1 1 ATOM 187 C CG2 . VAL A 1 25 ? 32.412 65.590 74.008 1.00 28.63 ? 403 VAL A CG2 1 ATOM 188 N N . PHE A 1 26 ? 31.741 60.929 74.253 1.00 28.26 ? 404 PHE A N 1 ATOM 189 C CA . PHE A 1 26 ? 32.015 59.543 74.613 1.00 29.78 ? 404 PHE A CA 1 ATOM 190 C C . PHE A 1 26 ? 33.083 58.940 73.734 1.00 30.25 ? 404 PHE A C 1 ATOM 191 O O . PHE A 1 26 ? 33.066 59.116 72.515 1.00 30.40 ? 404 PHE A O 1 ATOM 192 C CB . PHE A 1 26 ? 30.735 58.701 74.546 1.00 29.46 ? 404 PHE A CB 1 ATOM 193 C CG . PHE A 1 26 ? 29.665 59.176 75.483 1.00 34.63 ? 404 PHE A CG 1 ATOM 194 C CD1 . PHE A 1 26 ? 29.719 58.862 76.840 1.00 34.31 ? 404 PHE A CD1 1 ATOM 195 C CD2 . PHE A 1 26 ? 28.615 59.962 75.017 1.00 33.28 ? 404 PHE A CD2 1 ATOM 196 C CE1 . PHE A 1 26 ? 28.736 59.313 77.712 1.00 36.67 ? 404 PHE A CE1 1 ATOM 197 C CE2 . PHE A 1 26 ? 27.634 60.419 75.883 1.00 31.44 ? 404 PHE A CE2 1 ATOM 198 C CZ . PHE A 1 26 ? 27.694 60.092 77.230 1.00 37.27 ? 404 PHE A CZ 1 ATOM 199 N N . THR A 1 27 ? 34.023 58.258 74.379 1.00 32.96 ? 405 THR A N 1 ATOM 200 C CA . THR A 1 27 ? 35.044 57.448 73.724 1.00 35.94 ? 405 THR A CA 1 ATOM 201 C C . THR A 1 27 ? 35.222 56.212 74.601 1.00 36.62 ? 405 THR A C 1 ATOM 202 O O . THR A 1 27 ? 35.031 56.285 75.826 1.00 42.15 ? 405 THR A O 1 ATOM 203 C CB . THR A 1 27 ? 36.411 58.171 73.651 1.00 38.47 ? 405 THR A CB 1 ATOM 204 O OG1 . THR A 1 27 ? 36.837 58.506 74.975 1.00 39.14 ? 405 THR A OG1 1 ATOM 205 C CG2 . THR A 1 27 ? 36.351 59.454 72.801 1.00 33.15 ? 405 THR A CG2 1 ATOM 206 N N A ASN A 1 28 ? 35.566 55.090 73.972 0.70 37.10 ? 406 ASN A N 1 ATOM 207 N N B ASN A 1 28 ? 35.583 55.083 73.989 0.30 35.81 ? 406 ASN A N 1 ATOM 208 C CA A ASN A 1 28 ? 35.893 53.848 74.677 0.70 39.84 ? 406 ASN A CA 1 ATOM 209 C CA B ASN A 1 28 ? 35.931 53.850 74.716 0.30 35.29 ? 406 ASN A CA 1 ATOM 210 C C A ASN A 1 28 ? 34.848 53.405 75.705 0.70 38.07 ? 406 ASN A C 1 ATOM 211 C C B ASN A 1 28 ? 34.866 53.351 75.702 0.30 35.80 ? 406 ASN A C 1 ATOM 212 O O A ASN A 1 28 ? 35.137 53.279 76.891 0.70 39.67 ? 406 ASN A O 1 ATOM 213 O O B ASN A 1 28 ? 35.172 53.121 76.871 0.30 37.09 ? 406 ASN A O 1 ATOM 214 C CB A ASN A 1 28 ? 37.275 53.950 75.329 0.70 40.74 ? 406 ASN A CB 1 ATOM 215 C CB B ASN A 1 28 ? 37.269 54.018 75.458 0.30 33.24 ? 406 ASN A CB 1 ATOM 216 C CG A ASN A 1 28 ? 37.855 52.596 75.656 0.70 44.46 ? 406 ASN A CG 1 ATOM 217 C CG B ASN A 1 28 ? 38.413 54.401 74.533 0.30 32.74 ? 406 ASN A CG 1 ATOM 218 O OD1 A ASN A 1 28 ? 37.884 51.703 74.810 0.70 47.38 ? 406 ASN A OD1 1 ATOM 219 O OD1 B ASN A 1 28 ? 38.646 53.753 73.516 0.30 34.10 ? 406 ASN A OD1 1 ATOM 220 N ND2 A ASN A 1 28 ? 38.316 52.432 76.891 0.70 50.44 ? 406 ASN A ND2 1 ATOM 221 N ND2 B ASN A 1 28 ? 39.145 55.451 74.895 0.30 31.92 ? 406 ASN A ND2 1 ATOM 222 N N . CYS A 1 29 ? 33.628 53.185 75.237 1.00 35.63 ? 407 CYS A N 1 ATOM 223 C CA . CYS A 1 29 ? 32.536 52.740 76.108 1.00 33.26 ? 407 CYS A CA 1 ATOM 224 C C . CYS A 1 29 ? 31.443 52.081 75.295 1.00 33.04 ? 407 CYS A C 1 ATOM 225 O O . CYS A 1 29 ? 31.421 52.197 74.070 1.00 36.71 ? 407 CYS A O 1 ATOM 226 C CB . CYS A 1 29 ? 31.969 53.897 76.959 1.00 33.79 ? 407 CYS A CB 1 ATOM 227 S SG . CYS A 1 29 ? 31.330 55.303 76.015 1.00 38.68 ? 407 CYS A SG 1 ATOM 228 N N . ASN A 1 30 ? 30.543 51.385 75.982 1.00 31.48 ? 408 ASN A N 1 ATOM 229 C CA . ASN A 1 30 ? 29.459 50.657 75.327 1.00 35.29 ? 408 ASN A CA 1 ATOM 230 C C . ASN A 1 30 ? 28.131 51.348 75.600 1.00 33.63 ? 408 ASN A C 1 ATOM 231 O O . ASN A 1 30 ? 27.907 51.850 76.704 1.00 38.03 ? 408 ASN A O 1 ATOM 232 C CB . ASN A 1 30 ? 29.414 49.203 75.818 1.00 43.23 ? 408 ASN A CB 1 ATOM 233 C CG . ASN A 1 30 ? 30.666 48.415 75.440 1.00 53.10 ? 408 ASN A CG 1 ATOM 234 O OD1 . ASN A 1 30 ? 31.523 48.142 76.287 1.00 61.75 ? 408 ASN A OD1 1 ATOM 235 N ND2 . ASN A 1 30 ? 30.776 48.047 74.162 1.00 60.39 ? 408 ASN A ND2 1 ATOM 236 N N . TYR A 1 31 ? 27.252 51.374 74.603 1.00 32.69 ? 409 TYR A N 1 ATOM 237 C CA . TYR A 1 31 ? 26.003 52.121 74.718 1.00 29.23 ? 409 TYR A CA 1 ATOM 238 C C . TYR A 1 31 ? 24.820 51.251 74.303 1.00 28.23 ? 409 TYR A C 1 ATOM 239 O O . TYR A 1 31 ? 24.969 50.282 73.555 1.00 29.63 ? 409 TYR A O 1 ATOM 240 C CB . TYR A 1 31 ? 26.059 53.403 73.849 1.00 30.10 ? 409 TYR A CB 1 ATOM 241 C CG . TYR A 1 31 ? 26.054 53.134 72.354 1.00 27.57 ? 409 TYR A CG 1 ATOM 242 C CD1 . TYR A 1 31 ? 27.241 52.945 71.649 1.00 25.74 ? 409 TYR A CD1 1 ATOM 243 C CD2 . TYR A 1 31 ? 24.850 53.056 71.648 1.00 30.54 ? 409 TYR A CD2 1 ATOM 244 C CE1 . TYR A 1 31 ? 27.229 52.681 70.285 1.00 25.85 ? 409 TYR A CE1 1 ATOM 245 C CE2 . TYR A 1 31 ? 24.825 52.792 70.285 1.00 28.86 ? 409 TYR A CE2 1 ATOM 246 C CZ . TYR A 1 31 ? 26.010 52.605 69.608 1.00 27.05 ? 409 TYR A CZ 1 ATOM 247 O OH . TYR A 1 31 ? 25.967 52.347 68.255 1.00 27.62 ? 409 TYR A OH 1 ATOM 248 N N . ASN A 1 32 ? 23.642 51.600 74.793 1.00 27.07 ? 410 ASN A N 1 ATOM 249 C CA . ASN A 1 32 ? 22.418 51.066 74.234 1.00 31.16 ? 410 ASN A CA 1 ATOM 250 C C . ASN A 1 32 ? 21.477 52.246 74.020 1.00 31.79 ? 410 ASN A C 1 ATOM 251 O O . ASN A 1 32 ? 20.849 52.716 74.965 1.00 31.98 ? 410 ASN A O 1 ATOM 252 C CB . ASN A 1 32 ? 21.815 49.999 75.161 1.00 32.28 ? 410 ASN A CB 1 ATOM 253 C CG . ASN A 1 32 ? 20.601 49.312 74.555 1.00 33.21 ? 410 ASN A CG 1 ATOM 254 O OD1 . ASN A 1 32 ? 19.915 49.877 73.700 1.00 34.98 ? 410 ASN A OD1 1 ATOM 255 N ND2 . ASN A 1 32 ? 20.329 48.089 74.996 1.00 37.62 ? 410 ASN A ND2 1 ATOM 256 N N . LEU A 1 33 ? 21.410 52.740 72.782 1.00 29.45 ? 411 LEU A N 1 ATOM 257 C CA . LEU A 1 33 ? 20.618 53.931 72.463 1.00 29.78 ? 411 LEU A CA 1 ATOM 258 C C . LEU A 1 33 ? 19.119 53.671 72.631 1.00 30.14 ? 411 LEU A C 1 ATOM 259 O O . LEU A 1 33 ? 18.383 54.531 73.130 1.00 29.55 ? 411 LEU A O 1 ATOM 260 C CB . LEU A 1 33 ? 20.912 54.424 71.038 1.00 29.61 ? 411 LEU A CB 1 ATOM 261 C CG . LEU A 1 33 ? 20.281 55.760 70.597 1.00 33.47 ? 411 LEU A CG 1 ATOM 262 C CD1 . LEU A 1 33 ? 20.614 56.921 71.535 1.00 31.07 ? 411 LEU A CD1 1 ATOM 263 C CD2 . LEU A 1 33 ? 20.666 56.116 69.164 1.00 35.27 ? 411 LEU A CD2 1 ATOM 264 N N . THR A 1 34 ? 18.679 52.484 72.214 1.00 26.52 ? 412 THR A N 1 ATOM 265 C CA . THR A 1 34 ? 17.274 52.110 72.306 1.00 29.72 ? 412 THR A CA 1 ATOM 266 C C . THR A 1 34 ? 16.792 52.182 73.750 1.00 29.36 ? 412 THR A C 1 ATOM 267 O O . THR A 1 34 ? 15.710 52.703 74.016 1.00 31.10 ? 412 THR A O 1 ATOM 268 C CB . THR A 1 34 ? 17.035 50.715 71.717 1.00 34.41 ? 412 THR A CB 1 ATOM 269 O OG1 . THR A 1 34 ? 17.469 50.718 70.350 1.00 40.11 ? 412 THR A OG1 1 ATOM 270 C CG2 . THR A 1 34 ? 15.544 50.331 71.792 1.00 35.63 ? 412 THR A CG2 1 ATOM 271 N N . LYS A 1 35 ? 17.617 51.680 74.668 1.00 29.60 ? 413 LYS A N 1 ATOM 272 C CA . LYS A 1 35 ? 17.320 51.707 76.101 1.00 32.12 ? 413 LYS A CA 1 ATOM 273 C C . LYS A 1 35 ? 17.226 53.139 76.634 1.00 29.07 ? 413 LYS A C 1 ATOM 274 O O . LYS A 1 35 ? 16.279 53.478 77.349 1.00 30.27 ? 413 LYS A O 1 ATOM 275 C CB . LYS A 1 35 ? 18.371 50.908 76.888 1.00 35.30 ? 413 LYS A CB 1 ATOM 276 C CG . LYS A 1 35 ? 18.051 50.743 78.367 1.00 45.78 ? 413 LYS A CG 1 ATOM 277 C CD . LYS A 1 35 ? 19.002 49.764 79.054 1.00 51.36 ? 413 LYS A CD 1 ATOM 278 C CE . LYS A 1 35 ? 18.395 48.375 79.211 1.00 57.20 ? 413 LYS A CE 1 ATOM 279 N NZ . LYS A 1 35 ? 18.129 47.654 77.934 1.00 68.11 ? 413 LYS A NZ 1 ATOM 280 N N . LEU A 1 36 ? 18.206 53.971 76.287 1.00 27.02 ? 414 LEU A N 1 ATOM 281 C CA . LEU A 1 36 ? 18.179 55.384 76.660 1.00 29.18 ? 414 LEU A CA 1 ATOM 282 C C . LEU A 1 36 ? 16.885 56.059 76.182 1.00 27.63 ? 414 LEU A C 1 ATOM 283 O O . LEU A 1 36 ? 16.191 56.738 76.962 1.00 28.92 ? 414 LEU A O 1 ATOM 284 C CB . LEU A 1 36 ? 19.419 56.127 76.113 1.00 29.24 ? 414 LEU A CB 1 ATOM 285 C CG . LEU A 1 36 ? 19.451 57.655 76.299 1.00 34.12 ? 414 LEU A CG 1 ATOM 286 C CD1 . LEU A 1 36 ? 19.441 58.067 77.773 1.00 32.11 ? 414 LEU A CD1 1 ATOM 287 C CD2 . LEU A 1 36 ? 20.657 58.244 75.592 1.00 35.09 ? 414 LEU A CD2 1 ATOM 288 N N . LEU A 1 37 ? 16.554 55.858 74.910 1.00 25.94 ? 415 LEU A N 1 ATOM 289 C CA . LEU A 1 37 ? 15.393 56.534 74.312 1.00 28.62 ? 415 LEU A CA 1 ATOM 290 C C . LEU A 1 37 ? 14.063 55.998 74.839 1.00 28.24 ? 415 LEU A C 1 ATOM 291 O O . LEU A 1 37 ? 13.047 56.703 74.807 1.00 29.90 ? 415 LEU A O 1 ATOM 292 C CB . LEU A 1 37 ? 15.443 56.449 72.784 1.00 28.93 ? 415 LEU A CB 1 ATOM 293 C CG . LEU A 1 37 ? 16.642 57.163 72.139 1.00 31.39 ? 415 LEU A CG 1 ATOM 294 C CD1 . LEU A 1 37 ? 16.649 56.942 70.633 1.00 29.90 ? 415 LEU A CD1 1 ATOM 295 C CD2 . LEU A 1 37 ? 16.676 58.648 72.476 1.00 32.16 ? 415 LEU A CD2 1 ATOM 296 N N . SER A 1 38 ? 14.082 54.768 75.350 1.00 27.92 ? 416 SER A N 1 ATOM 297 C CA . SER A 1 38 ? 12.877 54.141 75.909 1.00 28.47 ? 416 SER A CA 1 ATOM 298 C C . SER A 1 38 ? 12.390 54.833 77.184 1.00 28.98 ? 416 SER A C 1 ATOM 299 O O . SER A 1 38 ? 11.260 54.605 77.613 1.00 31.41 ? 416 SER A O 1 ATOM 300 C CB . SER A 1 38 ? 13.098 52.653 76.176 1.00 31.62 ? 416 SER A CB 1 ATOM 301 O OG . SER A 1 38 ? 13.838 52.468 77.379 1.00 37.20 ? 416 SER A OG 1 ATOM 302 N N . LEU A 1 39 ? 13.228 55.682 77.784 1.00 26.86 ? 417 LEU A N 1 ATOM 303 C CA . LEU A 1 39 ? 12.798 56.482 78.933 1.00 29.99 ? 417 LEU A CA 1 ATOM 304 C C . LEU A 1 39 ? 11.915 57.665 78.524 1.00 30.01 ? 417 LEU A C 1 ATOM 305 O O . LEU A 1 39 ? 11.215 58.248 79.364 1.00 29.48 ? 417 LEU A O 1 ATOM 306 C CB . LEU A 1 39 ? 14.006 57.012 79.707 1.00 30.95 ? 417 LEU A CB 1 ATOM 307 C CG . LEU A 1 39 ? 14.969 56.031 80.377 1.00 34.38 ? 417 LEU A CG 1 ATOM 308 C CD1 . LEU A 1 39 ? 16.084 56.829 81.033 1.00 32.81 ? 417 LEU A CD1 1 ATOM 309 C CD2 . LEU A 1 39 ? 14.262 55.129 81.395 1.00 36.28 ? 417 LEU A CD2 1 ATOM 310 N N . PHE A 1 40 ? 11.967 58.024 77.241 1.00 24.95 ? 418 PHE A N 1 ATOM 311 C CA . PHE A 1 40 ? 11.289 59.204 76.727 1.00 26.04 ? 418 PHE A CA 1 ATOM 312 C C . PHE A 1 40 ? 10.185 58.808 75.766 1.00 29.45 ? 418 PHE A C 1 ATOM 313 O O . PHE A 1 40 ? 10.161 57.694 75.245 1.00 32.13 ? 418 PHE A O 1 ATOM 314 C CB . PHE A 1 40 ? 12.276 60.114 75.966 1.00 25.83 ? 418 PHE A CB 1 ATOM 315 C CG . PHE A 1 40 ? 13.400 60.643 76.815 1.00 26.35 ? 418 PHE A CG 1 ATOM 316 C CD1 . PHE A 1 40 ? 13.254 61.832 77.526 1.00 25.91 ? 418 PHE A CD1 1 ATOM 317 C CD2 . PHE A 1 40 ? 14.609 59.956 76.902 1.00 27.13 ? 418 PHE A CD2 1 ATOM 318 C CE1 . PHE A 1 40 ? 14.284 62.322 78.314 1.00 25.43 ? 418 PHE A CE1 1 ATOM 319 C CE2 . PHE A 1 40 ? 15.651 60.446 77.687 1.00 27.20 ? 418 PHE A CE2 1 ATOM 320 C CZ . PHE A 1 40 ? 15.489 61.630 78.392 1.00 27.19 ? 418 PHE A CZ 1 ATOM 321 N N . SER A 1 41 ? 9.282 59.739 75.510 1.00 27.02 ? 419 SER A N 1 ATOM 322 C CA . SER A 1 41 ? 8.335 59.578 74.430 1.00 29.28 ? 419 SER A CA 1 ATOM 323 C C . SER A 1 41 ? 8.902 60.315 73.201 1.00 28.01 ? 419 SER A C 1 ATOM 324 O O . SER A 1 41 ? 8.895 61.546 73.148 1.00 28.79 ? 419 SER A O 1 ATOM 325 C CB . SER A 1 41 ? 6.979 60.125 74.864 1.00 31.35 ? 419 SER A CB 1 ATOM 326 O OG . SER A 1 41 ? 6.064 60.057 73.800 1.00 37.53 ? 419 SER A OG 1 ATOM 327 N N . VAL A 1 42 ? 9.412 59.556 72.231 1.00 25.52 ? 420 VAL A N 1 ATOM 328 C CA . VAL A 1 42 ? 10.137 60.126 71.097 1.00 26.04 ? 420 VAL A CA 1 ATOM 329 C C . VAL A 1 42 ? 9.158 60.548 70.000 1.00 27.01 ? 420 VAL A C 1 ATOM 330 O O . VAL A 1 42 ? 8.435 59.710 69.459 1.00 29.44 ? 420 VAL A O 1 ATOM 331 C CB . VAL A 1 42 ? 11.200 59.136 70.548 1.00 27.57 ? 420 VAL A CB 1 ATOM 332 C CG1 . VAL A 1 42 ? 11.813 59.635 69.236 1.00 25.00 ? 420 VAL A CG1 1 ATOM 333 C CG2 . VAL A 1 42 ? 12.292 58.891 71.589 1.00 26.20 ? 420 VAL A CG2 1 ATOM 334 N N . ASN A 1 43 ? 9.144 61.842 69.679 1.00 23.83 ? 421 ASN A N 1 ATOM 335 C CA . ASN A 1 43 ? 8.230 62.390 68.680 1.00 24.33 ? 421 ASN A CA 1 ATOM 336 C C . ASN A 1 43 ? 8.858 62.478 67.286 1.00 22.80 ? 421 ASN A C 1 ATOM 337 O O . ASN A 1 43 ? 8.173 62.347 66.274 1.00 25.93 ? 421 ASN A O 1 ATOM 338 C CB . ASN A 1 43 ? 7.755 63.784 69.117 1.00 24.37 ? 421 ASN A CB 1 ATOM 339 C CG . ASN A 1 43 ? 7.152 63.785 70.514 1.00 28.49 ? 421 ASN A CG 1 ATOM 340 O OD1 . ASN A 1 43 ? 7.723 64.335 71.474 1.00 31.31 ? 421 ASN A OD1 1 ATOM 341 N ND2 . ASN A 1 43 ? 6.004 63.162 70.641 1.00 28.26 ? 421 ASN A ND2 1 ATOM 342 N N . ASP A 1 44 ? 10.166 62.703 67.232 1.00 19.19 ? 422 ASP A N 1 ATOM 343 C CA . ASP A 1 44 ? 10.854 62.889 65.957 1.00 21.47 ? 422 ASP A CA 1 ATOM 344 C C . ASP A 1 44 ? 12.286 62.408 66.106 1.00 22.51 ? 422 ASP A C 1 ATOM 345 O O . ASP A 1 44 ? 12.932 62.665 67.133 1.00 22.45 ? 422 ASP A O 1 ATOM 346 C CB . ASP A 1 44 ? 10.827 64.373 65.543 1.00 20.48 ? 422 ASP A CB 1 ATOM 347 C CG . ASP A 1 44 ? 11.130 64.587 64.059 1.00 24.34 ? 422 ASP A CG 1 ATOM 348 O OD1 . ASP A 1 44 ? 10.411 64.029 63.192 1.00 23.41 ? 422 ASP A OD1 1 ATOM 349 O OD2 . ASP A 1 44 ? 12.085 65.345 63.752 1.00 29.23 ? 422 ASP A OD2 1 ATOM 350 N N . PHE A 1 45 ? 12.774 61.719 65.077 1.00 24.46 ? 423 PHE A N 1 ATOM 351 C CA . PHE A 1 45 ? 14.094 61.086 65.088 1.00 23.66 ? 423 PHE A CA 1 ATOM 352 C C . PHE A 1 45 ? 14.548 61.070 63.626 1.00 24.16 ? 423 PHE A C 1 ATOM 353 O O . PHE A 1 45 ? 14.090 60.243 62.839 1.00 26.63 ? 423 PHE A O 1 ATOM 354 C CB . PHE A 1 45 ? 13.973 59.657 65.660 1.00 22.06 ? 423 PHE A CB 1 ATOM 355 C CG . PHE A 1 45 ? 15.300 58.962 65.952 1.00 23.12 ? 423 PHE A CG 1 ATOM 356 C CD1 . PHE A 1 45 ? 16.503 59.405 65.408 1.00 20.87 ? 423 PHE A CD1 1 ATOM 357 C CD2 . PHE A 1 45 ? 15.322 57.813 66.753 1.00 23.84 ? 423 PHE A CD2 1 ATOM 358 C CE1 . PHE A 1 45 ? 17.704 58.741 65.679 1.00 24.74 ? 423 PHE A CE1 1 ATOM 359 C CE2 . PHE A 1 45 ? 16.519 57.144 67.030 1.00 25.87 ? 423 PHE A CE2 1 ATOM 360 C CZ . PHE A 1 45 ? 17.714 57.614 66.494 1.00 24.95 ? 423 PHE A CZ 1 ATOM 361 N N . THR A 1 46 ? 15.412 62.014 63.251 1.00 23.22 ? 424 THR A N 1 ATOM 362 C CA . THR A 1 46 ? 15.846 62.141 61.865 1.00 27.33 ? 424 THR A CA 1 ATOM 363 C C . THR A 1 46 ? 17.336 62.375 61.822 1.00 25.03 ? 424 THR A C 1 ATOM 364 O O . THR A 1 46 ? 17.887 62.999 62.724 1.00 24.49 ? 424 THR A O 1 ATOM 365 C CB . THR A 1 46 ? 15.175 63.322 61.116 1.00 32.38 ? 424 THR A CB 1 ATOM 366 O OG1 . THR A 1 46 ? 15.486 64.546 61.787 1.00 40.49 ? 424 THR A OG1 1 ATOM 367 C CG2 . THR A 1 46 ? 13.672 63.155 61.049 1.00 31.94 ? 424 THR A CG2 1 ATOM 368 N N . CYS A 1 47 ? 17.965 61.901 60.745 1.00 23.51 ? 425 CYS A N 1 ATOM 369 C CA . CYS A 1 47 ? 19.418 61.847 60.649 1.00 26.07 ? 425 CYS A CA 1 ATOM 370 C C . CYS A 1 47 ? 19.906 62.294 59.285 1.00 27.33 ? 425 CYS A C 1 ATOM 371 O O . CYS A 1 47 ? 19.152 62.284 58.312 1.00 29.87 ? 425 CYS A O 1 ATOM 372 C CB . CYS A 1 47 ? 19.922 60.421 60.881 1.00 25.88 ? 425 CYS A CB 1 ATOM 373 S SG . CYS A 1 47 ? 19.421 59.665 62.435 1.00 31.58 ? 425 CYS A SG 1 ATOM 374 N N . SER A 1 48 ? 21.181 62.663 59.227 1.00 24.84 ? 426 SER A N 1 ATOM 375 C CA . SER A 1 48 ? 21.840 62.988 57.971 1.00 28.05 ? 426 SER A CA 1 ATOM 376 C C . SER A 1 48 ? 23.119 62.160 57.849 1.00 26.20 ? 426 SER A C 1 ATOM 377 O O . SER A 1 48 ? 23.943 62.159 58.762 1.00 24.87 ? 426 SER A O 1 ATOM 378 C CB . SER A 1 48 ? 22.136 64.492 57.911 1.00 33.41 ? 426 SER A CB 1 ATOM 379 O OG . SER A 1 48 ? 22.562 64.862 56.611 1.00 40.25 ? 426 SER A OG 1 ATOM 380 N N . GLN A 1 49 ? 23.255 61.438 56.734 1.00 22.42 ? 427 GLN A N 1 ATOM 381 C CA . GLN A 1 49 ? 24.425 60.587 56.425 1.00 23.36 ? 427 GLN A CA 1 ATOM 382 C C . GLN A 1 49 ? 24.525 59.360 57.313 1.00 23.36 ? 427 GLN A C 1 ATOM 383 O O . GLN A 1 49 ? 25.592 58.740 57.424 1.00 24.53 ? 427 GLN A O 1 ATOM 384 C CB . GLN A 1 49 ? 25.738 61.378 56.456 1.00 25.76 ? 427 GLN A CB 1 ATOM 385 C CG . GLN A 1 49 ? 25.779 62.523 55.451 1.00 31.79 ? 427 GLN A CG 1 ATOM 386 C CD . GLN A 1 49 ? 27.192 63.023 55.210 1.00 38.75 ? 427 GLN A CD 1 ATOM 387 O OE1 . GLN A 1 49 ? 28.019 62.322 54.611 1.00 37.27 ? 427 GLN A OE1 1 ATOM 388 N NE2 . GLN A 1 49 ? 27.483 64.245 55.678 1.00 39.09 ? 427 GLN A NE2 1 ATOM 389 N N . ILE A 1 50 ? 23.409 59.036 57.958 1.00 22.39 ? 428 ILE A N 1 ATOM 390 C CA . ILE A 1 50 ? 23.253 57.828 58.749 1.00 23.11 ? 428 ILE A CA 1 ATOM 391 C C . ILE A 1 50 ? 21.736 57.653 58.916 1.00 23.47 ? 428 ILE A C 1 ATOM 392 O O . ILE A 1 50 ? 20.973 58.525 58.507 1.00 23.19 ? 428 ILE A O 1 ATOM 393 C CB . ILE A 1 50 ? 24.016 57.928 60.094 1.00 21.40 ? 428 ILE A CB 1 ATOM 394 C CG1 . ILE A 1 50 ? 24.173 56.558 60.748 1.00 24.90 ? 428 ILE A CG1 1 ATOM 395 C CG2 . ILE A 1 50 ? 23.376 58.952 61.043 1.00 22.75 ? 428 ILE A CG2 1 ATOM 396 C CD1 . ILE A 1 50 ? 25.278 56.501 61.779 1.00 25.65 ? 428 ILE A CD1 1 ATOM 397 N N . SER A 1 51 ? 21.302 56.532 59.485 1.00 24.37 ? 429 SER A N 1 ATOM 398 C CA . SER A 1 51 ? 19.880 56.298 59.745 1.00 24.94 ? 429 SER A CA 1 ATOM 399 C C . SER A 1 51 ? 19.647 56.065 61.237 1.00 23.82 ? 429 SER A C 1 ATOM 400 O O . SER A 1 51 ? 20.595 55.794 61.965 1.00 22.29 ? 429 SER A O 1 ATOM 401 C CB . SER A 1 51 ? 19.389 55.081 58.947 1.00 26.19 ? 429 SER A CB 1 ATOM 402 O OG . SER A 1 51 ? 19.884 53.878 59.511 1.00 26.43 ? 429 SER A OG 1 ATOM 403 N N . PRO A 1 52 ? 18.382 56.178 61.702 1.00 26.59 ? 430 PRO A N 1 ATOM 404 C CA . PRO A 1 52 ? 18.088 55.834 63.104 1.00 27.87 ? 430 PRO A CA 1 ATOM 405 C C . PRO A 1 52 ? 18.495 54.401 63.483 1.00 27.90 ? 430 PRO A C 1 ATOM 406 O O . PRO A 1 52 ? 19.010 54.193 64.579 1.00 26.90 ? 430 PRO A O 1 ATOM 407 C CB . PRO A 1 52 ? 16.564 56.004 63.196 1.00 28.29 ? 430 PRO A CB 1 ATOM 408 C CG . PRO A 1 52 ? 16.250 57.050 62.172 1.00 28.28 ? 430 PRO A CG 1 ATOM 409 C CD . PRO A 1 52 ? 17.231 56.828 61.038 1.00 25.33 ? 430 PRO A CD 1 ATOM 410 N N . ALA A 1 53 ? 18.271 53.431 62.594 1.00 28.73 ? 431 ALA A N 1 ATOM 411 C CA . ALA A 1 53 ? 18.711 52.047 62.860 1.00 30.22 ? 431 ALA A CA 1 ATOM 412 C C . ALA A 1 53 ? 20.239 51.906 62.918 1.00 26.83 ? 431 ALA A C 1 ATOM 413 O O . ALA A 1 53 ? 20.766 51.240 63.807 1.00 28.65 ? 431 ALA A O 1 ATOM 414 C CB . ALA A 1 53 ? 18.110 51.065 61.849 1.00 32.77 ? 431 ALA A CB 1 ATOM 415 N N . ALA A 1 54 ? 20.945 52.536 61.978 1.00 25.42 ? 432 ALA A N 1 ATOM 416 C CA . ALA A 1 54 ? 22.411 52.472 61.942 1.00 23.65 ? 432 ALA A CA 1 ATOM 417 C C . ALA A 1 54 ? 23.059 53.156 63.136 1.00 24.75 ? 432 ALA A C 1 ATOM 418 O O . ALA A 1 54 ? 24.003 52.622 63.719 1.00 26.44 ? 432 ALA A O 1 ATOM 419 C CB . ALA A 1 54 ? 22.951 53.067 60.647 1.00 24.86 ? 432 ALA A CB 1 ATOM 420 N N . ILE A 1 55 ? 22.561 54.333 63.516 1.00 25.67 ? 433 ILE A N 1 ATOM 421 C CA . ILE A 1 55 ? 23.166 55.046 64.654 1.00 25.59 ? 433 ILE A CA 1 ATOM 422 C C . ILE A 1 55 ? 23.088 54.271 65.986 1.00 23.65 ? 433 ILE A C 1 ATOM 423 O O . ILE A 1 55 ? 23.955 54.420 66.850 1.00 21.27 ? 433 ILE A O 1 ATOM 424 C CB . ILE A 1 55 ? 22.665 56.509 64.793 1.00 26.73 ? 433 ILE A CB 1 ATOM 425 C CG1 . ILE A 1 55 ? 23.666 57.317 65.627 1.00 31.30 ? 433 ILE A CG1 1 ATOM 426 C CG2 . ILE A 1 55 ? 21.251 56.589 65.382 1.00 24.84 ? 433 ILE A CG2 1 ATOM 427 C CD1 . ILE A 1 55 ? 23.847 58.738 65.150 1.00 34.65 ? 433 ILE A CD1 1 ATOM 428 N N . ALA A 1 56 ? 22.066 53.428 66.132 1.00 24.96 ? 434 ALA A N 1 ATOM 429 C CA . ALA A 1 56 ? 21.926 52.572 67.315 1.00 28.20 ? 434 ALA A CA 1 ATOM 430 C C . ALA A 1 56 ? 22.785 51.296 67.265 1.00 29.28 ? 434 ALA A C 1 ATOM 431 O O . ALA A 1 56 ? 22.838 50.553 68.243 1.00 33.61 ? 434 ALA A O 1 ATOM 432 C CB . ALA A 1 56 ? 20.454 52.203 67.537 1.00 27.81 ? 434 ALA A CB 1 ATOM 433 N N . SER A 1 57 ? 23.465 51.035 66.151 1.00 29.83 ? 435 SER A N 1 ATOM 434 C CA . SER A 1 57 ? 24.111 49.736 65.987 1.00 30.69 ? 435 SER A CA 1 ATOM 435 C C . SER A 1 57 ? 25.534 49.748 65.414 1.00 32.79 ? 435 SER A C 1 ATOM 436 O O . SER A 1 57 ? 26.054 48.698 65.051 1.00 35.23 ? 435 SER A O 1 ATOM 437 C CB . SER A 1 57 ? 23.211 48.830 65.151 1.00 34.21 ? 435 SER A CB 1 ATOM 438 O OG . SER A 1 57 ? 23.000 49.390 63.874 1.00 40.54 ? 435 SER A OG 1 ATOM 439 N N . ASN A 1 58 ? 26.169 50.916 65.336 1.00 30.11 ? 436 ASN A N 1 ATOM 440 C CA . ASN A 1 58 ? 27.525 50.989 64.785 1.00 27.99 ? 436 ASN A CA 1 ATOM 441 C C . ASN A 1 58 ? 28.592 51.291 65.838 1.00 25.11 ? 436 ASN A C 1 ATOM 442 O O . ASN A 1 58 ? 28.289 51.778 66.935 1.00 25.50 ? 436 ASN A O 1 ATOM 443 C CB . ASN A 1 58 ? 27.612 52.012 63.632 1.00 28.78 ? 436 ASN A CB 1 ATOM 444 C CG . ASN A 1 58 ? 26.922 51.545 62.351 1.00 33.49 ? 436 ASN A CG 1 ATOM 445 O OD1 . ASN A 1 58 ? 26.388 50.443 62.264 1.00 32.89 ? 436 ASN A OD1 1 ATOM 446 N ND2 . ASN A 1 58 ? 26.935 52.403 61.347 1.00 33.38 ? 436 ASN A ND2 1 ATOM 447 N N . CYS A 1 59 ? 29.843 50.991 65.498 1.00 24.45 ? 437 CYS A N 1 ATOM 448 C CA . CYS A 1 59 ? 30.982 51.320 66.355 1.00 26.14 ? 437 CYS A CA 1 ATOM 449 C C . CYS A 1 59 ? 31.666 52.617 65.881 1.00 25.66 ? 437 CYS A C 1 ATOM 450 O O . CYS A 1 59 ? 31.978 52.747 64.697 1.00 26.63 ? 437 CYS A O 1 ATOM 451 C CB . CYS A 1 59 ? 31.988 50.160 66.376 1.00 29.54 ? 437 CYS A CB 1 ATOM 452 S SG . CYS A 1 59 ? 31.510 48.725 67.361 1.00 38.77 ? 437 CYS A SG 1 ATOM 453 N N . TYR A 1 60 ? 31.899 53.559 66.807 1.00 24.79 ? 438 TYR A N 1 ATOM 454 C CA . TYR A 1 60 ? 32.458 54.883 66.478 1.00 25.56 ? 438 TYR A CA 1 ATOM 455 C C . TYR A 1 60 ? 33.731 55.175 67.243 1.00 25.80 ? 438 TYR A C 1 ATOM 456 O O . TYR A 1 60 ? 33.941 54.625 68.311 1.00 27.72 ? 438 TYR A O 1 ATOM 457 C CB . TYR A 1 60 ? 31.449 55.992 66.802 1.00 24.68 ? 438 TYR A CB 1 ATOM 458 C CG . TYR A 1 60 ? 30.038 55.622 66.450 1.00 25.11 ? 438 TYR A CG 1 ATOM 459 C CD1 . TYR A 1 60 ? 29.634 55.538 65.112 1.00 22.92 ? 438 TYR A CD1 1 ATOM 460 C CD2 . TYR A 1 60 ? 29.112 55.324 67.449 1.00 23.03 ? 438 TYR A CD2 1 ATOM 461 C CE1 . TYR A 1 60 ? 28.340 55.186 64.776 1.00 23.71 ? 438 TYR A CE1 1 ATOM 462 C CE2 . TYR A 1 60 ? 27.812 54.961 67.121 1.00 27.66 ? 438 TYR A CE2 1 ATOM 463 C CZ . TYR A 1 60 ? 27.441 54.893 65.785 1.00 26.06 ? 438 TYR A CZ 1 ATOM 464 O OH . TYR A 1 60 ? 26.170 54.527 65.457 1.00 27.28 ? 438 TYR A OH 1 ATOM 465 N N . SER A 1 61 ? 34.576 56.052 66.706 1.00 27.40 ? 439 SER A N 1 ATOM 466 C CA . SER A 1 61 ? 35.715 56.546 67.485 1.00 29.14 ? 439 SER A CA 1 ATOM 467 C C . SER A 1 61 ? 35.239 57.565 68.525 1.00 29.48 ? 439 SER A C 1 ATOM 468 O O . SER A 1 61 ? 35.805 57.648 69.611 1.00 31.98 ? 439 SER A O 1 ATOM 469 C CB . SER A 1 61 ? 36.834 57.104 66.606 1.00 30.23 ? 439 SER A CB 1 ATOM 470 O OG . SER A 1 61 ? 36.332 58.099 65.738 1.00 39.88 ? 439 SER A OG 1 ATOM 471 N N . SER A 1 62 ? 34.183 58.317 68.215 1.00 26.66 ? 440 SER A N 1 ATOM 472 C CA . SER A 1 62 ? 33.526 59.114 69.258 1.00 26.40 ? 440 SER A CA 1 ATOM 473 C C . SER A 1 62 ? 32.046 59.301 69.009 1.00 25.76 ? 440 SER A C 1 ATOM 474 O O . SER A 1 62 ? 31.593 59.281 67.865 1.00 24.06 ? 440 SER A O 1 ATOM 475 C CB . SER A 1 62 ? 34.198 60.479 69.436 1.00 28.68 ? 440 SER A CB 1 ATOM 476 O OG . SER A 1 62 ? 34.046 61.262 68.274 1.00 34.69 ? 440 SER A OG 1 ATOM 477 N N . LEU A 1 63 ? 31.302 59.473 70.096 1.00 24.88 ? 441 LEU A N 1 ATOM 478 C CA . LEU A 1 63 ? 29.902 59.866 70.011 1.00 26.92 ? 441 LEU A CA 1 ATOM 479 C C . LEU A 1 63 ? 29.705 61.097 70.873 1.00 27.39 ? 441 LEU A C 1 ATOM 480 O O . LEU A 1 63 ? 30.095 61.133 72.042 1.00 29.60 ? 441 LEU A O 1 ATOM 481 C CB . LEU A 1 63 ? 28.964 58.727 70.429 1.00 27.33 ? 441 LEU A CB 1 ATOM 482 C CG . LEU A 1 63 ? 27.454 58.951 70.217 1.00 25.66 ? 441 LEU A CG 1 ATOM 483 C CD1 . LEU A 1 63 ? 26.732 57.654 69.928 1.00 30.17 ? 441 LEU A CD1 1 ATOM 484 C CD2 . LEU A 1 63 ? 26.840 59.615 71.430 1.00 25.92 ? 441 LEU A CD2 1 ATOM 485 N N . ILE A 1 64 ? 29.116 62.115 70.264 1.00 25.45 ? 442 ILE A N 1 ATOM 486 C CA . ILE A 1 64 ? 28.845 63.362 70.920 1.00 27.55 ? 442 ILE A CA 1 ATOM 487 C C . ILE A 1 64 ? 27.338 63.483 71.057 1.00 24.48 ? 442 ILE A C 1 ATOM 488 O O . ILE A 1 64 ? 26.611 63.296 70.079 1.00 26.86 ? 442 ILE A O 1 ATOM 489 C CB . ILE A 1 64 ? 29.393 64.514 70.073 1.00 33.99 ? 442 ILE A CB 1 ATOM 490 C CG1 . ILE A 1 64 ? 30.927 64.494 70.096 1.00 36.93 ? 442 ILE A CG1 1 ATOM 491 C CG2 . ILE A 1 64 ? 28.853 65.845 70.563 1.00 34.84 ? 442 ILE A CG2 1 ATOM 492 C CD1 . ILE A 1 64 ? 31.569 65.372 69.038 1.00 38.39 ? 442 ILE A CD1 1 ATOM 493 N N . LEU A 1 65 ? 26.874 63.781 72.271 1.00 24.65 ? 443 LEU A N 1 ATOM 494 C CA . LEU A 1 65 ? 25.458 63.980 72.533 1.00 25.57 ? 443 LEU A CA 1 ATOM 495 C C . LEU A 1 65 ? 25.192 65.350 73.151 1.00 25.13 ? 443 LEU A C 1 ATOM 496 O O . LEU A 1 65 ? 25.609 65.624 74.287 1.00 25.96 ? 443 LEU A O 1 ATOM 497 C CB . LEU A 1 65 ? 24.934 62.887 73.462 1.00 30.03 ? 443 LEU A CB 1 ATOM 498 C CG . LEU A 1 65 ? 23.503 62.969 74.000 1.00 36.51 ? 443 LEU A CG 1 ATOM 499 C CD1 . LEU A 1 65 ? 22.474 62.910 72.896 1.00 35.39 ? 443 LEU A CD1 1 ATOM 500 C CD2 . LEU A 1 65 ? 23.282 61.797 74.939 1.00 44.41 ? 443 LEU A CD2 1 ATOM 501 N N . ASP A 1 66 ? 24.477 66.188 72.403 1.00 19.19 ? 444 ASP A N 1 ATOM 502 C CA . ASP A 1 66 ? 24.056 67.511 72.866 1.00 21.31 ? 444 ASP A CA 1 ATOM 503 C C . ASP A 1 66 ? 22.617 67.424 73.341 1.00 21.56 ? 444 ASP A C 1 ATOM 504 O O . ASP A 1 66 ? 21.819 66.713 72.733 1.00 23.12 ? 444 ASP A O 1 ATOM 505 C CB . ASP A 1 66 ? 24.125 68.510 71.712 1.00 20.33 ? 444 ASP A CB 1 ATOM 506 C CG . ASP A 1 66 ? 25.529 68.696 71.189 1.00 24.48 ? 444 ASP A CG 1 ATOM 507 O OD1 . ASP A 1 66 ? 26.469 68.671 72.006 1.00 23.35 ? 444 ASP A OD1 1 ATOM 508 O OD2 . ASP A 1 66 ? 25.700 68.873 69.958 1.00 26.63 ? 444 ASP A OD2 1 ATOM 509 N N . TYR A 1 67 ? 22.270 68.148 74.409 1.00 19.21 ? 445 TYR A N 1 ATOM 510 C CA . TYR A 1 67 ? 20.895 68.091 74.918 1.00 22.00 ? 445 TYR A CA 1 ATOM 511 C C . TYR A 1 67 ? 20.440 69.423 75.490 1.00 22.62 ? 445 TYR A C 1 ATOM 512 O O . TYR A 1 67 ? 21.254 70.224 75.965 1.00 22.11 ? 445 TYR A O 1 ATOM 513 C CB . TYR A 1 67 ? 20.694 66.928 75.917 1.00 21.79 ? 445 TYR A CB 1 ATOM 514 C CG . TYR A 1 67 ? 21.411 67.076 77.244 1.00 26.32 ? 445 TYR A CG 1 ATOM 515 C CD1 . TYR A 1 67 ? 22.712 66.585 77.413 1.00 31.25 ? 445 TYR A CD1 1 ATOM 516 C CD2 . TYR A 1 67 ? 20.783 67.678 78.341 1.00 26.06 ? 445 TYR A CD2 1 ATOM 517 C CE1 . TYR A 1 67 ? 23.375 66.705 78.627 1.00 28.57 ? 445 TYR A CE1 1 ATOM 518 C CE2 . TYR A 1 67 ? 21.436 67.805 79.561 1.00 28.61 ? 445 TYR A CE2 1 ATOM 519 C CZ . TYR A 1 67 ? 22.730 67.316 79.696 1.00 31.08 ? 445 TYR A CZ 1 ATOM 520 O OH . TYR A 1 67 ? 23.388 67.437 80.891 1.00 36.20 ? 445 TYR A OH 1 ATOM 521 N N . PHE A 1 68 ? 19.133 69.661 75.418 1.00 22.13 ? 446 PHE A N 1 ATOM 522 C CA . PHE A 1 68 ? 18.560 70.941 75.784 1.00 21.14 ? 446 PHE A CA 1 ATOM 523 C C . PHE A 1 68 ? 17.041 70.838 75.849 1.00 19.83 ? 446 PHE A C 1 ATOM 524 O O . PHE A 1 68 ? 16.445 69.949 75.225 1.00 21.09 ? 446 PHE A O 1 ATOM 525 C CB . PHE A 1 68 ? 18.985 72.044 74.779 1.00 20.43 ? 446 PHE A CB 1 ATOM 526 C CG . PHE A 1 68 ? 18.888 71.635 73.328 1.00 21.47 ? 446 PHE A CG 1 ATOM 527 C CD1 . PHE A 1 68 ? 19.990 71.068 72.675 1.00 21.14 ? 446 PHE A CD1 1 ATOM 528 C CD2 . PHE A 1 68 ? 17.708 71.841 72.596 1.00 21.78 ? 446 PHE A CD2 1 ATOM 529 C CE1 . PHE A 1 68 ? 19.921 70.694 71.339 1.00 23.79 ? 446 PHE A CE1 1 ATOM 530 C CE2 . PHE A 1 68 ? 17.630 71.467 71.245 1.00 21.98 ? 446 PHE A CE2 1 ATOM 531 C CZ . PHE A 1 68 ? 18.739 70.893 70.619 1.00 25.76 ? 446 PHE A CZ 1 ATOM 532 N N . SER A 1 69 ? 16.431 71.730 76.628 1.00 18.68 ? 447 SER A N 1 ATOM 533 C CA . SER A 1 69 ? 14.991 71.980 76.562 1.00 20.77 ? 447 SER A CA 1 ATOM 534 C C . SER A 1 69 ? 14.673 72.568 75.200 1.00 20.77 ? 447 SER A C 1 ATOM 535 O O . SER A 1 69 ? 15.411 73.408 74.700 1.00 20.33 ? 447 SER A O 1 ATOM 536 C CB . SER A 1 69 ? 14.576 72.975 77.642 1.00 19.69 ? 447 SER A CB 1 ATOM 537 O OG . SER A 1 69 ? 14.949 72.487 78.919 1.00 24.20 ? 447 SER A OG 1 ATOM 538 N N . TYR A 1 70 ? 13.576 72.116 74.594 1.00 20.78 ? 448 TYR A N 1 ATOM 539 C CA . TYR A 1 70 ? 13.205 72.561 73.260 1.00 20.61 ? 448 TYR A CA 1 ATOM 540 C C . TYR A 1 70 ? 11.742 72.238 72.983 1.00 22.20 ? 448 TYR A C 1 ATOM 541 O O . TYR A 1 70 ? 11.337 71.079 73.089 1.00 20.91 ? 448 TYR A O 1 ATOM 542 C CB . TYR A 1 70 ? 14.092 71.905 72.183 1.00 18.34 ? 448 TYR A CB 1 ATOM 543 C CG . TYR A 1 70 ? 14.009 72.620 70.861 1.00 18.09 ? 448 TYR A CG 1 ATOM 544 C CD1 . TYR A 1 70 ? 14.719 73.805 70.643 1.00 17.99 ? 448 TYR A CD1 1 ATOM 545 C CD2 . TYR A 1 70 ? 13.194 72.132 69.824 1.00 17.80 ? 448 TYR A CD2 1 ATOM 546 C CE1 . TYR A 1 70 ? 14.616 74.489 69.430 1.00 19.90 ? 448 TYR A CE1 1 ATOM 547 C CE2 . TYR A 1 70 ? 13.097 72.801 68.606 1.00 19.90 ? 448 TYR A CE2 1 ATOM 548 C CZ . TYR A 1 70 ? 13.812 73.986 68.419 1.00 19.56 ? 448 TYR A CZ 1 ATOM 549 O OH . TYR A 1 70 ? 13.731 74.661 67.213 1.00 18.47 ? 448 TYR A OH 1 ATOM 550 N N . PRO A 1 71 ? 10.953 73.259 72.610 1.00 22.46 ? 449 PRO A N 1 ATOM 551 C CA . PRO A 1 71 ? 9.555 73.012 72.339 1.00 22.02 ? 449 PRO A CA 1 ATOM 552 C C . PRO A 1 71 ? 9.360 72.325 70.986 1.00 20.89 ? 449 PRO A C 1 ATOM 553 O O . PRO A 1 71 ? 9.908 72.760 69.976 1.00 19.32 ? 449 PRO A O 1 ATOM 554 C CB . PRO A 1 71 ? 8.926 74.420 72.362 1.00 23.18 ? 449 PRO A CB 1 ATOM 555 C CG . PRO A 1 71 ? 10.037 75.339 71.992 1.00 24.41 ? 449 PRO A CG 1 ATOM 556 C CD . PRO A 1 71 ? 11.332 74.671 72.396 1.00 22.60 ? 449 PRO A CD 1 ATOM 557 N N . LEU A 1 72 ? 8.581 71.249 70.987 1.00 21.98 ? 450 LEU A N 1 ATOM 558 C CA . LEU A 1 72 ? 8.235 70.520 69.764 1.00 23.00 ? 450 LEU A CA 1 ATOM 559 C C . LEU A 1 72 ? 7.638 71.425 68.681 1.00 21.56 ? 450 LEU A C 1 ATOM 560 O O . LEU A 1 72 ? 7.843 71.191 67.480 1.00 21.47 ? 450 LEU A O 1 ATOM 561 C CB . LEU A 1 72 ? 7.228 69.433 70.115 1.00 25.71 ? 450 LEU A CB 1 ATOM 562 C CG . LEU A 1 72 ? 7.013 68.277 69.157 1.00 30.66 ? 450 LEU A CG 1 ATOM 563 C CD1 . LEU A 1 72 ? 8.330 67.574 68.845 1.00 27.53 ? 450 LEU A CD1 1 ATOM 564 C CD2 . LEU A 1 72 ? 6.010 67.313 69.795 1.00 32.35 ? 450 LEU A CD2 1 ATOM 565 N N . SER A 1 73 ? 6.903 72.454 69.106 1.00 20.90 ? 451 SER A N 1 ATOM 566 C CA . SER A 1 73 ? 6.311 73.423 68.180 1.00 21.84 ? 451 SER A CA 1 ATOM 567 C C . SER A 1 73 ? 7.354 74.102 67.281 1.00 21.61 ? 451 SER A C 1 ATOM 568 O O . SER A 1 73 ? 7.002 74.653 66.228 1.00 22.35 ? 451 SER A O 1 ATOM 569 C CB . SER A 1 73 ? 5.535 74.490 68.957 1.00 25.51 ? 451 SER A CB 1 ATOM 570 O OG . SER A 1 73 ? 6.399 75.177 69.844 1.00 27.83 ? 451 SER A OG 1 ATOM 571 N N . MET A 1 74 ? 8.626 74.055 67.686 1.00 20.36 ? 452 MET A N 1 ATOM 572 C CA . MET A 1 74 ? 9.699 74.697 66.919 1.00 20.48 ? 452 MET A CA 1 ATOM 573 C C . MET A 1 74 ? 10.553 73.715 66.105 1.00 20.11 ? 452 MET A C 1 ATOM 574 O O . MET A 1 74 ? 11.677 74.032 65.708 1.00 22.76 ? 452 MET A O 1 ATOM 575 C CB . MET A 1 74 ? 10.569 75.583 67.827 1.00 19.72 ? 452 MET A CB 1 ATOM 576 C CG . MET A 1 74 ? 9.821 76.818 68.356 1.00 23.17 ? 452 MET A CG 1 ATOM 577 S SD . MET A 1 74 ? 10.876 77.882 69.375 1.00 28.26 ? 452 MET A SD 1 ATOM 578 C CE . MET A 1 74 ? 11.849 78.677 68.092 1.00 30.04 ? 452 MET A CE 1 ATOM 579 N N . LYS A 1 75 ? 10.013 72.525 65.863 1.00 22.37 ? 453 LYS A N 1 ATOM 580 C CA . LYS A 1 75 ? 10.638 71.515 64.995 1.00 24.13 ? 453 LYS A CA 1 ATOM 581 C C . LYS A 1 75 ? 11.334 72.088 63.758 1.00 24.45 ? 453 LYS A C 1 ATOM 582 O O . LYS A 1 75 ? 12.505 71.789 63.508 1.00 26.12 ? 453 LYS A O 1 ATOM 583 C CB . LYS A 1 75 ? 9.581 70.476 64.577 1.00 25.94 ? 453 LYS A CB 1 ATOM 584 C CG . LYS A 1 75 ? 9.852 69.742 63.270 1.00 26.85 ? 453 LYS A CG 1 ATOM 585 C CD . LYS A 1 75 ? 11.011 68.763 63.370 1.00 29.84 ? 453 LYS A CD 1 ATOM 586 C CE . LYS A 1 75 ? 11.239 68.104 62.018 1.00 31.49 ? 453 LYS A CE 1 ATOM 587 N NZ . LYS A 1 75 ? 12.504 67.336 62.003 1.00 24.48 ? 453 LYS A NZ 1 ATOM 588 N N . SER A 1 76 ? 10.609 72.893 62.980 1.00 21.06 ? 454 SER A N 1 ATOM 589 C CA . SER A 1 76 ? 11.112 73.376 61.692 1.00 25.12 ? 454 SER A CA 1 ATOM 590 C C . SER A 1 76 ? 12.307 74.312 61.781 1.00 24.04 ? 454 SER A C 1 ATOM 591 O O . SER A 1 76 ? 13.085 74.422 60.829 1.00 27.21 ? 454 SER A O 1 ATOM 592 C CB . SER A 1 76 ? 9.992 74.033 60.900 1.00 26.24 ? 454 SER A CB 1 ATOM 593 O OG . SER A 1 76 ? 9.134 73.010 60.442 1.00 28.19 ? 454 SER A OG 1 ATOM 594 N N . ASP A 1 77 ? 12.451 74.976 62.922 1.00 24.20 ? 455 ASP A N 1 ATOM 595 C CA . ASP A 1 77 ? 13.529 75.939 63.122 1.00 26.31 ? 455 ASP A CA 1 ATOM 596 C C . ASP A 1 77 ? 14.888 75.264 63.293 1.00 26.19 ? 455 ASP A C 1 ATOM 597 O O . ASP A 1 77 ? 15.939 75.907 63.153 1.00 33.89 ? 455 ASP A O 1 ATOM 598 C CB . ASP A 1 77 ? 13.193 76.823 64.314 1.00 29.24 ? 455 ASP A CB 1 ATOM 599 C CG . ASP A 1 77 ? 11.993 77.735 64.044 1.00 40.59 ? 455 ASP A CG 1 ATOM 600 O OD1 . ASP A 1 77 ? 12.108 78.611 63.166 1.00 44.13 ? 455 ASP A OD1 1 ATOM 601 O OD2 . ASP A 1 77 ? 10.938 77.582 64.706 1.00 49.77 ? 455 ASP A OD2 1 ATOM 602 N N . LEU A 1 78 ? 14.873 73.965 63.576 1.00 25.95 ? 456 LEU A N 1 ATOM 603 C CA . LEU A 1 78 ? 16.122 73.213 63.706 1.00 32.38 ? 456 LEU A CA 1 ATOM 604 C C . LEU A 1 78 ? 16.815 72.889 62.377 1.00 40.11 ? 456 LEU A C 1 ATOM 605 O O . LEU A 1 78 ? 17.996 72.583 62.363 1.00 53.76 ? 456 LEU A O 1 ATOM 606 C CB . LEU A 1 78 ? 15.919 71.933 64.516 1.00 33.12 ? 456 LEU A CB 1 ATOM 607 C CG . LEU A 1 78 ? 16.018 72.063 66.040 1.00 36.55 ? 456 LEU A CG 1 ATOM 608 C CD1 . LEU A 1 78 ? 15.549 70.776 66.714 1.00 42.33 ? 456 LEU A CD1 1 ATOM 609 C CD2 . LEU A 1 78 ? 17.439 72.400 66.485 1.00 31.83 ? 456 LEU A CD2 1 ATOM 610 N N . SER A 1 79 ? 16.103 72.969 61.261 1.00 40.76 ? 457 SER A N 1 ATOM 611 C CA . SER A 1 79 ? 16.716 72.593 59.989 1.00 44.04 ? 457 SER A CA 1 ATOM 612 C C . SER A 1 79 ? 17.568 73.724 59.416 1.00 42.88 ? 457 SER A C 1 ATOM 613 O O . SER A 1 79 ? 17.214 74.911 59.489 1.00 37.49 ? 457 SER A O 1 ATOM 614 C CB . SER A 1 79 ? 15.672 72.136 58.976 1.00 47.83 ? 457 SER A CB 1 ATOM 615 O OG . SER A 1 79 ? 14.856 73.229 58.573 1.00 63.96 ? 457 SER A OG 1 ATOM 616 N N . VAL A 1 80 ? 18.703 73.325 58.866 1.00 54.69 ? 458 VAL A N 1 ATOM 617 C CA . VAL A 1 80 ? 19.636 74.220 58.191 1.00 59.56 ? 458 VAL A CA 1 ATOM 618 C C . VAL A 1 80 ? 18.970 74.942 57.025 1.00 54.14 ? 458 VAL A C 1 ATOM 619 O O . VAL A 1 80 ? 19.225 76.119 56.794 1.00 63.99 ? 458 VAL A O 1 ATOM 620 C CB . VAL A 1 80 ? 20.854 73.427 57.686 1.00 65.63 ? 458 VAL A CB 1 ATOM 621 C CG1 . VAL A 1 80 ? 21.772 73.101 58.852 1.00 72.99 ? 458 VAL A CG1 1 ATOM 622 C CG2 . VAL A 1 80 ? 20.408 72.143 56.992 1.00 68.59 ? 458 VAL A CG2 1 ATOM 623 N N . SER A 1 81 ? 18.110 74.217 56.314 1.00 54.35 ? 459 SER A N 1 ATOM 624 C CA . SER A 1 81 ? 17.356 74.719 55.165 1.00 62.04 ? 459 SER A CA 1 ATOM 625 C C . SER A 1 81 ? 16.404 75.855 55.534 1.00 53.98 ? 459 SER A C 1 ATOM 626 O O . SER A 1 81 ? 16.202 76.788 54.757 1.00 54.44 ? 459 SER A O 1 ATOM 627 C CB . SER A 1 81 ? 16.554 73.577 54.539 1.00 73.44 ? 459 SER A CB 1 ATOM 628 O OG . SER A 1 81 ? 17.335 72.397 54.484 1.00 85.29 ? 459 SER A OG 1 ATOM 629 N N . SER A 1 82 ? 15.787 75.758 56.704 1.00 57.33 ? 460 SER A N 1 ATOM 630 C CA . SER A 1 82 ? 15.077 76.900 57.238 1.00 61.28 ? 460 SER A CA 1 ATOM 631 C C . SER A 1 82 ? 16.141 77.895 57.663 1.00 53.98 ? 460 SER A C 1 ATOM 632 O O . SER A 1 82 ? 17.200 77.526 58.190 1.00 67.79 ? 460 SER A O 1 ATOM 633 C CB . SER A 1 82 ? 14.197 76.520 58.432 1.00 55.01 ? 460 SER A CB 1 ATOM 634 O OG . SER A 1 82 ? 12.899 76.112 58.027 1.00 68.55 ? 460 SER A OG 1 ATOM 635 N N . ALA A 1 83 ? 15.862 79.158 57.414 1.00 51.87 ? 461 ALA A N 1 ATOM 636 C CA . ALA A 1 83 ? 16.726 80.222 57.861 1.00 51.46 ? 461 ALA A CA 1 ATOM 637 C C . ALA A 1 83 ? 16.145 80.750 59.171 1.00 43.47 ? 461 ALA A C 1 ATOM 638 O O . ALA A 1 83 ? 16.108 81.949 59.407 1.00 47.40 ? 461 ALA A O 1 ATOM 639 C CB . ALA A 1 83 ? 16.791 81.310 56.794 1.00 50.48 ? 461 ALA A CB 1 ATOM 640 N N . GLY A 1 84 ? 15.670 79.833 60.012 1.00 37.33 ? 462 GLY A N 1 ATOM 641 C CA . GLY A 1 84 ? 15.073 80.188 61.296 1.00 40.14 ? 462 GLY A CA 1 ATOM 642 C C . GLY A 1 84 ? 16.146 80.499 62.328 1.00 34.35 ? 462 GLY A C 1 ATOM 643 O O . GLY A 1 84 ? 17.295 80.079 62.158 1.00 27.56 ? 462 GLY A O 1 ATOM 644 N N . PRO A 1 85 ? 15.772 81.234 63.407 1.00 30.31 ? 463 PRO A N 1 ATOM 645 C CA . PRO A 1 85 ? 16.720 81.730 64.391 1.00 25.97 ? 463 PRO A CA 1 ATOM 646 C C . PRO A 1 85 ? 17.460 80.621 65.141 1.00 23.40 ? 463 PRO A C 1 ATOM 647 O O . PRO A 1 85 ? 18.581 80.837 65.597 1.00 19.70 ? 463 PRO A O 1 ATOM 648 C CB . PRO A 1 85 ? 15.840 82.542 65.367 1.00 26.86 ? 463 PRO A CB 1 ATOM 649 C CG . PRO A 1 85 ? 14.445 82.063 65.132 1.00 29.39 ? 463 PRO A CG 1 ATOM 650 C CD . PRO A 1 85 ? 14.414 81.746 63.658 1.00 31.21 ? 463 PRO A CD 1 ATOM 651 N N . ILE A 1 86 ? 16.846 79.450 65.275 1.00 19.90 ? 464 ILE A N 1 ATOM 652 C CA . ILE A 1 86 ? 17.499 78.356 66.005 1.00 20.86 ? 464 ILE A CA 1 ATOM 653 C C . ILE A 1 86 ? 18.770 77.868 65.318 1.00 21.20 ? 464 ILE A C 1 ATOM 654 O O . ILE A 1 86 ? 19.837 77.822 65.946 1.00 23.78 ? 464 ILE A O 1 ATOM 655 C CB . ILE A 1 86 ? 16.540 77.194 66.343 1.00 19.54 ? 464 ILE A CB 1 ATOM 656 C CG1 . ILE A 1 86 ? 15.338 77.720 67.150 1.00 21.29 ? 464 ILE A CG1 1 ATOM 657 C CG2 . ILE A 1 86 ? 17.264 76.123 67.145 1.00 21.37 ? 464 ILE A CG2 1 ATOM 658 C CD1 . ILE A 1 86 ? 15.705 78.406 68.472 1.00 17.52 ? 464 ILE A CD1 1 ATOM 659 N N . SER A 1 87 ? 18.667 77.536 64.035 1.00 21.64 ? 465 SER A N 1 ATOM 660 C CA . SER A 1 87 ? 19.815 77.058 63.270 1.00 24.45 ? 465 SER A CA 1 ATOM 661 C C . SER A 1 87 ? 20.761 78.197 62.916 1.00 24.36 ? 465 SER A C 1 ATOM 662 O O . SER A 1 87 ? 21.967 77.977 62.785 1.00 23.76 ? 465 SER A O 1 ATOM 663 C CB . SER A 1 87 ? 19.379 76.316 61.997 1.00 30.42 ? 465 SER A CB 1 ATOM 664 O OG . SER A 1 87 ? 18.724 77.194 61.095 1.00 35.34 ? 465 SER A OG 1 ATOM 665 N N . GLN A 1 88 ? 20.224 79.402 62.744 1.00 21.95 ? 466 GLN A N 1 ATOM 666 C CA . GLN A 1 88 ? 21.068 80.560 62.481 1.00 26.61 ? 466 GLN A CA 1 ATOM 667 C C . GLN A 1 88 ? 21.872 81.025 63.700 1.00 22.56 ? 466 GLN A C 1 ATOM 668 O O . GLN A 1 88 ? 23.066 81.299 63.580 1.00 22.77 ? 466 GLN A O 1 ATOM 669 C CB . GLN A 1 88 ? 20.264 81.739 61.874 1.00 28.69 ? 466 GLN A CB 1 ATOM 670 C CG . GLN A 1 88 ? 19.857 81.524 60.420 1.00 35.03 ? 466 GLN A CG 1 ATOM 671 C CD . GLN A 1 88 ? 19.682 82.828 59.652 1.00 43.66 ? 466 GLN A CD 1 ATOM 672 O OE1 . GLN A 1 88 ? 19.125 83.806 60.161 1.00 55.82 ? 466 GLN A OE1 1 ATOM 673 N NE2 . GLN A 1 88 ? 20.156 82.843 58.408 1.00 58.54 ? 466 GLN A NE2 1 ATOM 674 N N . PHE A 1 89 ? 21.236 81.106 64.867 1.00 19.98 ? 467 PHE A N 1 ATOM 675 C CA . PHE A 1 89 ? 21.867 81.767 66.015 1.00 20.95 ? 467 PHE A CA 1 ATOM 676 C C . PHE A 1 89 ? 22.105 80.941 67.271 1.00 22.18 ? 467 PHE A C 1 ATOM 677 O O . PHE A 1 89 ? 22.836 81.388 68.157 1.00 28.96 ? 467 PHE A O 1 ATOM 678 C CB . PHE A 1 89 ? 21.072 83.023 66.402 1.00 19.06 ? 467 PHE A CB 1 ATOM 679 C CG . PHE A 1 89 ? 20.772 83.936 65.239 1.00 20.86 ? 467 PHE A CG 1 ATOM 680 C CD1 . PHE A 1 89 ? 21.805 84.502 64.496 1.00 20.76 ? 467 PHE A CD1 1 ATOM 681 C CD2 . PHE A 1 89 ? 19.448 84.238 64.895 1.00 22.09 ? 467 PHE A CD2 1 ATOM 682 C CE1 . PHE A 1 89 ? 21.527 85.353 63.435 1.00 22.16 ? 467 PHE A CE1 1 ATOM 683 C CE2 . PHE A 1 89 ? 19.164 85.090 63.837 1.00 23.87 ? 467 PHE A CE2 1 ATOM 684 C CZ . PHE A 1 89 ? 20.204 85.653 63.104 1.00 23.92 ? 467 PHE A CZ 1 ATOM 685 N N . ASN A 1 90 ? 21.493 79.761 67.371 1.00 19.75 ? 468 ASN A N 1 ATOM 686 C CA . ASN A 1 90 ? 21.511 79.011 68.631 1.00 19.94 ? 468 ASN A CA 1 ATOM 687 C C . ASN A 1 90 ? 22.310 77.706 68.609 1.00 22.12 ? 468 ASN A C 1 ATOM 688 O O . ASN A 1 90 ? 23.123 77.440 69.515 1.00 21.08 ? 468 ASN A O 1 ATOM 689 C CB . ASN A 1 90 ? 20.076 78.722 69.105 1.00 18.63 ? 468 ASN A CB 1 ATOM 690 C CG . ASN A 1 90 ? 19.294 79.989 69.438 1.00 18.93 ? 468 ASN A CG 1 ATOM 691 O OD1 . ASN A 1 90 ? 19.014 80.260 70.606 1.00 19.56 ? 468 ASN A OD1 1 ATOM 692 N ND2 . ASN A 1 90 ? 18.930 80.769 68.410 1.00 18.75 ? 468 ASN A ND2 1 ATOM 693 N N . TYR A 1 91 ? 22.063 76.884 67.587 1.00 20.40 ? 469 TYR A N 1 ATOM 694 C CA . TYR A 1 91 ? 22.579 75.517 67.564 1.00 20.84 ? 469 TYR A CA 1 ATOM 695 C C . TYR A 1 91 ? 22.717 75.008 66.142 1.00 20.94 ? 469 TYR A C 1 ATOM 696 O O . TYR A 1 91 ? 21.764 75.030 65.360 1.00 22.60 ? 469 TYR A O 1 ATOM 697 C CB . TYR A 1 91 ? 21.670 74.577 68.379 1.00 21.82 ? 469 TYR A CB 1 ATOM 698 C CG . TYR A 1 91 ? 22.149 73.133 68.424 1.00 23.42 ? 469 TYR A CG 1 ATOM 699 C CD1 . TYR A 1 91 ? 23.332 72.788 69.076 1.00 23.94 ? 469 TYR A CD1 1 ATOM 700 C CD2 . TYR A 1 91 ? 21.417 72.113 67.797 1.00 23.05 ? 469 TYR A CD2 1 ATOM 701 C CE1 . TYR A 1 91 ? 23.780 71.472 69.115 1.00 26.15 ? 469 TYR A CE1 1 ATOM 702 C CE2 . TYR A 1 91 ? 21.849 70.796 67.834 1.00 22.11 ? 469 TYR A CE2 1 ATOM 703 C CZ . TYR A 1 91 ? 23.029 70.475 68.491 1.00 24.14 ? 469 TYR A CZ 1 ATOM 704 O OH . TYR A 1 91 ? 23.466 69.165 68.523 1.00 22.38 ? 469 TYR A OH 1 ATOM 705 N N . LYS A 1 92 ? 23.909 74.545 65.815 1.00 21.97 ? 470 LYS A N 1 ATOM 706 C CA . LYS A 1 92 ? 24.186 74.001 64.491 1.00 24.88 ? 470 LYS A CA 1 ATOM 707 C C . LYS A 1 92 ? 25.062 72.768 64.624 1.00 26.17 ? 470 LYS A C 1 ATOM 708 O O . LYS A 1 92 ? 26.098 72.786 65.309 1.00 24.32 ? 470 LYS A O 1 ATOM 709 C CB . LYS A 1 92 ? 24.872 75.042 63.601 1.00 29.00 ? 470 LYS A CB 1 ATOM 710 C CG . LYS A 1 92 ? 24.833 74.677 62.131 1.00 40.32 ? 470 LYS A CG 1 ATOM 711 C CD . LYS A 1 92 ? 25.808 75.502 61.313 1.00 48.27 ? 470 LYS A CD 1 ATOM 712 C CE . LYS A 1 92 ? 25.860 74.982 59.883 1.00 56.43 ? 470 LYS A CE 1 ATOM 713 N NZ . LYS A 1 92 ? 26.981 75.607 59.131 1.00 80.61 ? 470 LYS A NZ 1 ATOM 714 N N . GLN A 1 93 ? 24.636 71.694 63.973 1.00 26.14 ? 471 GLN A N 1 ATOM 715 C CA . GLN A 1 93 ? 25.400 70.454 63.989 1.00 29.13 ? 471 GLN A CA 1 ATOM 716 C C . GLN A 1 93 ? 26.419 70.431 62.858 1.00 28.72 ? 471 GLN A C 1 ATOM 717 O O . GLN A 1 93 ? 26.289 71.179 61.880 1.00 27.52 ? 471 GLN A O 1 ATOM 718 C CB . GLN A 1 93 ? 24.465 69.258 63.880 1.00 30.00 ? 471 GLN A CB 1 ATOM 719 C CG . GLN A 1 93 ? 23.654 68.997 65.134 1.00 31.82 ? 471 GLN A CG 1 ATOM 720 C CD . GLN A 1 93 ? 22.755 67.787 64.970 1.00 29.04 ? 471 GLN A CD 1 ATOM 721 O OE1 . GLN A 1 93 ? 21.880 67.771 64.113 1.00 31.37 ? 471 GLN A OE1 1 ATOM 722 N NE2 . GLN A 1 93 ? 22.982 66.763 65.778 1.00 27.45 ? 471 GLN A NE2 1 ATOM 723 N N . SER A 1 94 ? 27.441 69.590 63.009 1.00 28.26 ? 472 SER A N 1 ATOM 724 C CA . SER A 1 94 ? 28.427 69.362 61.958 1.00 30.80 ? 472 SER A CA 1 ATOM 725 C C . SER A 1 94 ? 27.743 69.051 60.628 1.00 31.36 ? 472 SER A C 1 ATOM 726 O O . SER A 1 94 ? 26.746 68.329 60.579 1.00 34.92 ? 472 SER A O 1 ATOM 727 C CB . SER A 1 94 ? 29.346 68.206 62.351 1.00 33.66 ? 472 SER A CB 1 ATOM 728 O OG . SER A 1 94 ? 30.093 67.753 61.248 1.00 32.38 ? 472 SER A OG 1 ATOM 729 N N . PHE A 1 95 ? 28.265 69.624 59.554 1.00 33.22 ? 473 PHE A N 1 ATOM 730 C CA . PHE A 1 95 ? 27.799 69.278 58.209 1.00 39.67 ? 473 PHE A CA 1 ATOM 731 C C . PHE A 1 95 ? 28.714 68.226 57.574 1.00 34.05 ? 473 PHE A C 1 ATOM 732 O O . PHE A 1 95 ? 28.467 67.783 56.461 1.00 38.72 ? 473 PHE A O 1 ATOM 733 C CB . PHE A 1 95 ? 27.680 70.524 57.310 1.00 41.78 ? 473 PHE A CB 1 ATOM 734 C CG . PHE A 1 95 ? 28.855 71.462 57.405 1.00 54.71 ? 473 PHE A CG 1 ATOM 735 C CD1 . PHE A 1 95 ? 30.050 71.186 56.734 1.00 59.97 ? 473 PHE A CD1 1 ATOM 736 C CD2 . PHE A 1 95 ? 28.768 72.630 58.162 1.00 60.55 ? 473 PHE A CD2 1 ATOM 737 C CE1 . PHE A 1 95 ? 31.132 72.054 56.824 1.00 65.92 ? 473 PHE A CE1 1 ATOM 738 C CE2 . PHE A 1 95 ? 29.847 73.502 58.255 1.00 63.48 ? 473 PHE A CE2 1 ATOM 739 C CZ . PHE A 1 95 ? 31.028 73.210 57.587 1.00 63.07 ? 473 PHE A CZ 1 ATOM 740 N N . SER A 1 96 ? 29.766 67.829 58.286 1.00 32.61 ? 474 SER A N 1 ATOM 741 C CA . SER A 1 96 ? 30.733 66.894 57.721 1.00 36.27 ? 474 SER A CA 1 ATOM 742 C C . SER A 1 96 ? 30.851 65.548 58.438 1.00 35.60 ? 474 SER A C 1 ATOM 743 O O . SER A 1 96 ? 31.626 64.712 58.012 1.00 45.79 ? 474 SER A O 1 ATOM 744 C CB . SER A 1 96 ? 32.107 67.553 57.590 1.00 36.66 ? 474 SER A CB 1 ATOM 745 O OG . SER A 1 96 ? 32.659 67.794 58.858 1.00 42.47 ? 474 SER A OG 1 ATOM 746 N N . ASN A 1 97 ? 30.123 65.351 59.531 1.00 27.98 ? 475 ASN A N 1 ATOM 747 C CA . ASN A 1 97 ? 30.038 64.047 60.196 1.00 28.25 ? 475 ASN A CA 1 ATOM 748 C C . ASN A 1 97 ? 28.564 63.644 60.203 1.00 27.36 ? 475 ASN A C 1 ATOM 749 O O . ASN A 1 97 ? 27.710 64.518 60.169 1.00 23.31 ? 475 ASN A O 1 ATOM 750 C CB . ASN A 1 97 ? 30.515 64.110 61.658 1.00 29.91 ? 475 ASN A CB 1 ATOM 751 C CG . ASN A 1 97 ? 31.985 64.478 61.818 1.00 36.52 ? 475 ASN A CG 1 ATOM 752 O OD1 . ASN A 1 97 ? 32.300 65.405 62.570 1.00 40.18 ? 475 ASN A OD1 1 ATOM 753 N ND2 . ASN A 1 97 ? 32.894 63.736 61.160 1.00 35.14 ? 475 ASN A ND2 1 ATOM 754 N N . PRO A 1 98 ? 28.259 62.326 60.270 1.00 26.49 ? 476 PRO A N 1 ATOM 755 C CA . PRO A 1 98 ? 26.852 61.921 60.361 1.00 24.68 ? 476 PRO A CA 1 ATOM 756 C C . PRO A 1 98 ? 26.231 62.414 61.671 1.00 23.21 ? 476 PRO A C 1 ATOM 757 O O . PRO A 1 98 ? 26.897 62.417 62.705 1.00 22.07 ? 476 PRO A O 1 ATOM 758 C CB . PRO A 1 98 ? 26.916 60.391 60.358 1.00 24.41 ? 476 PRO A CB 1 ATOM 759 C CG . PRO A 1 98 ? 28.258 60.056 59.766 1.00 26.33 ? 476 PRO A CG 1 ATOM 760 C CD . PRO A 1 98 ? 29.168 61.166 60.200 1.00 23.81 ? 476 PRO A CD 1 ATOM 761 N N . THR A 1 99 ? 24.971 62.837 61.615 1.00 22.41 ? 477 THR A N 1 ATOM 762 C CA . THR A 1 99 ? 24.297 63.435 62.766 1.00 24.07 ? 477 THR A CA 1 ATOM 763 C C . THR A 1 99 ? 22.862 62.937 62.837 1.00 25.59 ? 477 THR A C 1 ATOM 764 O O . THR A 1 99 ? 22.307 62.481 61.835 1.00 24.49 ? 477 THR A O 1 ATOM 765 C CB . THR A 1 99 ? 24.249 64.982 62.670 1.00 22.53 ? 477 THR A CB 1 ATOM 766 O OG1 . THR A 1 99 ? 23.657 65.352 61.427 1.00 23.54 ? 477 THR A OG1 1 ATOM 767 C CG2 . THR A 1 99 ? 25.647 65.619 62.764 1.00 19.12 ? 477 THR A CG2 1 ATOM 768 N N . CYS A 1 100 ? 22.271 63.024 64.027 1.00 25.42 ? 478 CYS A N 1 ATOM 769 C CA . CYS A 1 100 ? 20.841 62.813 64.203 1.00 23.87 ? 478 CYS A CA 1 ATOM 770 C C . CYS A 1 100 ? 20.313 63.886 65.143 1.00 23.02 ? 478 CYS A C 1 ATOM 771 O O . CYS A 1 100 ? 21.060 64.455 65.973 1.00 21.28 ? 478 CYS A O 1 ATOM 772 C CB . CYS A 1 100 ? 20.529 61.423 64.782 1.00 29.81 ? 478 CYS A CB 1 ATOM 773 S SG . CYS A 1 100 ? 21.012 60.021 63.728 1.00 36.10 ? 478 CYS A SG 1 ATOM 774 N N . LEU A 1 101 ? 19.017 64.148 65.020 1.00 20.73 ? 479 LEU A N 1 ATOM 775 C CA . LEU A 1 101 ? 18.345 65.101 65.877 1.00 22.02 ? 479 LEU A CA 1 ATOM 776 C C . LEU A 1 101 ? 17.107 64.385 66.372 1.00 20.21 ? 479 LEU A C 1 ATOM 777 O O . LEU A 1 101 ? 16.336 63.836 65.572 1.00 18.93 ? 479 LEU A O 1 ATOM 778 C CB . LEU A 1 101 ? 17.974 66.338 65.052 1.00 25.90 ? 479 LEU A CB 1 ATOM 779 C CG . LEU A 1 101 ? 17.855 67.706 65.700 1.00 36.31 ? 479 LEU A CG 1 ATOM 780 C CD1 . LEU A 1 101 ? 18.905 67.963 66.769 1.00 32.11 ? 479 LEU A CD1 1 ATOM 781 C CD2 . LEU A 1 101 ? 17.947 68.761 64.597 1.00 47.66 ? 479 LEU A CD2 1 ATOM 782 N N . ILE A 1 102 ? 16.938 64.359 67.689 1.00 20.27 ? 480 ILE A N 1 ATOM 783 C CA . ILE A 1 102 ? 15.785 63.700 68.302 1.00 21.98 ? 480 ILE A CA 1 ATOM 784 C C . ILE A 1 102 ? 14.993 64.714 69.110 1.00 22.62 ? 480 ILE A C 1 ATOM 785 O O . ILE A 1 102 ? 15.575 65.478 69.886 1.00 23.76 ? 480 ILE A O 1 ATOM 786 C CB . ILE A 1 102 ? 16.217 62.525 69.203 1.00 22.92 ? 480 ILE A CB 1 ATOM 787 C CG1 . ILE A 1 102 ? 16.878 61.438 68.348 1.00 22.34 ? 480 ILE A CG1 1 ATOM 788 C CG2 . ILE A 1 102 ? 15.014 61.960 69.968 1.00 23.97 ? 480 ILE A CG2 1 ATOM 789 C CD1 . ILE A 1 102 ? 17.919 60.608 69.076 1.00 24.51 ? 480 ILE A CD1 1 ATOM 790 N N . LEU A 1 103 ? 13.679 64.750 68.898 1.00 19.76 ? 481 LEU A N 1 ATOM 791 C CA . LEU A 1 103 ? 12.802 65.588 69.717 1.00 19.88 ? 481 LEU A CA 1 ATOM 792 C C . LEU A 1 103 ? 11.953 64.648 70.547 1.00 20.81 ? 481 LEU A C 1 ATOM 793 O O . LEU A 1 103 ? 11.335 63.718 70.006 1.00 21.93 ? 481 LEU A O 1 ATOM 794 C CB . LEU A 1 103 ? 11.917 66.489 68.842 1.00 21.01 ? 481 LEU A CB 1 ATOM 795 C CG . LEU A 1 103 ? 12.639 67.455 67.899 1.00 23.76 ? 481 LEU A CG 1 ATOM 796 C CD1 . LEU A 1 103 ? 11.652 68.349 67.135 1.00 22.22 ? 481 LEU A CD1 1 ATOM 797 C CD2 . LEU A 1 103 ? 13.651 68.299 68.674 1.00 24.55 ? 481 LEU A CD2 1 ATOM 798 N N . ALA A 1 104 ? 11.952 64.868 71.858 1.00 20.49 ? 482 ALA A N 1 ATOM 799 C CA . ALA A 1 104 ? 11.290 63.962 72.783 1.00 23.18 ? 482 ALA A CA 1 ATOM 800 C C . ALA A 1 104 ? 10.554 64.702 73.892 1.00 22.77 ? 482 ALA A C 1 ATOM 801 O O . ALA A 1 104 ? 10.877 65.833 74.223 1.00 23.24 ? 482 ALA A O 1 ATOM 802 C CB . ALA A 1 104 ? 12.299 62.974 73.380 1.00 20.87 ? 482 ALA A CB 1 ATOM 803 N N . THR A 1 105 ? 9.567 64.030 74.463 1.00 25.31 ? 483 THR A N 1 ATOM 804 C CA . THR A 1 105 ? 8.792 64.540 75.583 1.00 25.55 ? 483 THR A CA 1 ATOM 805 C C . THR A 1 105 ? 9.161 63.712 76.820 1.00 24.90 ? 483 THR A C 1 ATOM 806 O O . THR A 1 105 ? 9.306 62.487 76.728 1.00 24.90 ? 483 THR A O 1 ATOM 807 C CB . THR A 1 105 ? 7.297 64.420 75.263 1.00 27.60 ? 483 THR A CB 1 ATOM 808 O OG1 . THR A 1 105 ? 7.012 65.170 74.073 1.00 28.36 ? 483 THR A OG1 1 ATOM 809 C CG2 . THR A 1 105 ? 6.412 64.923 76.438 1.00 29.80 ? 483 THR A CG2 1 ATOM 810 N N . VAL A 1 106 ? 9.330 64.392 77.958 1.00 23.08 ? 484 VAL A N 1 ATOM 811 C CA . VAL A 1 106 ? 9.694 63.761 79.221 1.00 27.01 ? 484 VAL A CA 1 ATOM 812 C C . VAL A 1 106 ? 8.440 63.285 79.956 1.00 30.22 ? 484 VAL A C 1 ATOM 813 O O . VAL A 1 106 ? 7.616 64.109 80.355 1.00 34.56 ? 484 VAL A O 1 ATOM 814 C CB . VAL A 1 106 ? 10.477 64.729 80.145 1.00 28.37 ? 484 VAL A CB 1 ATOM 815 C CG1 . VAL A 1 106 ? 10.824 64.054 81.472 1.00 31.45 ? 484 VAL A CG1 1 ATOM 816 C CG2 . VAL A 1 106 ? 11.733 65.236 79.463 1.00 27.93 ? 484 VAL A CG2 1 ATOM 817 N N . PRO A 1 107 ? 8.286 61.956 80.136 1.00 31.69 ? 485 PRO A N 1 ATOM 818 C CA . PRO A 1 107 ? 7.112 61.450 80.855 1.00 33.93 ? 485 PRO A CA 1 ATOM 819 C C . PRO A 1 107 ? 7.156 61.887 82.310 1.00 38.90 ? 485 PRO A C 1 ATOM 820 O O . PRO A 1 107 ? 8.241 62.156 82.842 1.00 38.92 ? 485 PRO A O 1 ATOM 821 C CB . PRO A 1 107 ? 7.251 59.923 80.753 1.00 32.67 ? 485 PRO A CB 1 ATOM 822 C CG . PRO A 1 107 ? 8.241 59.699 79.656 1.00 37.74 ? 485 PRO A CG 1 ATOM 823 C CD . PRO A 1 107 ? 9.182 60.864 79.723 1.00 31.64 ? 485 PRO A CD 1 ATOM 824 N N . HIS A 1 108 ? 5.986 61.977 82.938 1.00 50.34 ? 486 HIS A N 1 ATOM 825 C CA . HIS A 1 108 ? 5.893 62.355 84.350 1.00 59.57 ? 486 HIS A CA 1 ATOM 826 C C . HIS A 1 108 ? 6.689 61.417 85.247 1.00 53.04 ? 486 HIS A C 1 ATOM 827 O O . HIS A 1 108 ? 7.321 61.861 86.210 1.00 57.88 ? 486 HIS A O 1 ATOM 828 C CB . HIS A 1 108 ? 4.435 62.432 84.802 1.00 66.81 ? 486 HIS A CB 1 ATOM 829 C CG . HIS A 1 108 ? 3.666 63.553 84.171 1.00 78.04 ? 486 HIS A CG 1 ATOM 830 N ND1 . HIS A 1 108 ? 4.019 64.878 84.326 1.00 73.35 ? 486 HIS A ND1 1 ATOM 831 C CD2 . HIS A 1 108 ? 2.559 63.547 83.389 1.00 79.10 ? 486 HIS A CD2 1 ATOM 832 C CE1 . HIS A 1 108 ? 3.163 65.639 83.665 1.00 82.81 ? 486 HIS A CE1 1 ATOM 833 N NE2 . HIS A 1 108 ? 2.268 64.856 83.088 1.00 79.45 ? 486 HIS A NE2 1 ATOM 834 N N . ASN A 1 109 ? 6.682 60.130 84.912 1.00 50.37 ? 487 ASN A N 1 ATOM 835 C CA . ASN A 1 109 ? 7.430 59.141 85.690 1.00 54.30 ? 487 ASN A CA 1 ATOM 836 C C . ASN A 1 109 ? 8.971 59.159 85.502 1.00 56.79 ? 487 ASN A C 1 ATOM 837 O O . ASN A 1 109 ? 9.683 58.350 86.102 1.00 58.43 ? 487 ASN A O 1 ATOM 838 C CB . ASN A 1 109 ? 6.823 57.735 85.527 1.00 57.83 ? 487 ASN A CB 1 ATOM 839 C CG . ASN A 1 109 ? 6.946 57.186 84.114 1.00 67.18 ? 487 ASN A CG 1 ATOM 840 O OD1 . ASN A 1 109 ? 7.773 57.632 83.317 1.00 72.99 ? 487 ASN A OD1 1 ATOM 841 N ND2 . ASN A 1 109 ? 6.114 56.198 83.803 1.00 79.44 ? 487 ASN A ND2 1 ATOM 842 N N . LEU A 1 110 ? 9.477 60.082 84.680 1.00 50.21 ? 488 LEU A N 1 ATOM 843 C CA . LEU A 1 110 ? 10.916 60.364 84.616 1.00 45.79 ? 488 LEU A CA 1 ATOM 844 C C . LEU A 1 110 ? 11.211 61.571 85.516 1.00 47.41 ? 488 LEU A C 1 ATOM 845 O O . LEU A 1 110 ? 11.315 62.709 85.056 1.00 52.33 ? 488 LEU A O 1 ATOM 846 C CB . LEU A 1 110 ? 11.362 60.596 83.163 1.00 42.75 ? 488 LEU A CB 1 ATOM 847 C CG . LEU A 1 110 ? 12.836 60.812 82.787 1.00 47.66 ? 488 LEU A CG 1 ATOM 848 C CD1 . LEU A 1 110 ? 13.765 59.906 83.565 1.00 48.90 ? 488 LEU A CD1 1 ATOM 849 C CD2 . LEU A 1 110 ? 13.072 60.620 81.292 1.00 38.33 ? 488 LEU A CD2 1 ATOM 850 N N . THR A 1 111 ? 11.359 61.292 86.806 1.00 44.16 ? 489 THR A N 1 ATOM 851 C CA . THR A 1 111 ? 11.265 62.298 87.870 1.00 43.64 ? 489 THR A CA 1 ATOM 852 C C . THR A 1 111 ? 12.525 63.116 88.116 1.00 42.14 ? 489 THR A C 1 ATOM 853 O O . THR A 1 111 ? 12.450 64.239 88.629 1.00 47.39 ? 489 THR A O 1 ATOM 854 C CB . THR A 1 111 ? 10.908 61.621 89.203 1.00 45.69 ? 489 THR A CB 1 ATOM 855 O OG1 . THR A 1 111 ? 11.880 60.603 89.482 1.00 52.43 ? 489 THR A OG1 1 ATOM 856 C CG2 . THR A 1 111 ? 9.530 60.996 89.130 1.00 44.16 ? 489 THR A CG2 1 ATOM 857 N N . THR A 1 112 ? 13.678 62.542 87.778 1.00 36.68 ? 490 THR A N 1 ATOM 858 C CA . THR A 1 112 ? 14.972 63.189 87.977 1.00 36.09 ? 490 THR A CA 1 ATOM 859 C C . THR A 1 112 ? 15.195 64.408 87.047 1.00 37.79 ? 490 THR A C 1 ATOM 860 O O . THR A 1 112 ? 16.107 65.212 87.276 1.00 35.30 ? 490 THR A O 1 ATOM 861 C CB . THR A 1 112 ? 16.116 62.182 87.765 1.00 38.14 ? 490 THR A CB 1 ATOM 862 O OG1 . THR A 1 112 ? 16.030 61.655 86.436 1.00 37.77 ? 490 THR A OG1 1 ATOM 863 C CG2 . THR A 1 112 ? 16.032 61.004 88.776 1.00 40.26 ? 490 THR A CG2 1 ATOM 864 N N . ILE A 1 113 ? 14.386 64.529 85.993 1.00 34.68 ? 491 ILE A N 1 ATOM 865 C CA . ILE A 1 113 ? 14.452 65.703 85.112 1.00 35.53 ? 491 ILE A CA 1 ATOM 866 C C . ILE A 1 113 ? 13.424 66.750 85.553 1.00 34.91 ? 491 ILE A C 1 ATOM 867 O O . ILE A 1 113 ? 12.237 66.446 85.658 1.00 38.70 ? 491 ILE A O 1 ATOM 868 C CB . ILE A 1 113 ? 14.238 65.352 83.623 1.00 32.07 ? 491 ILE A CB 1 ATOM 869 C CG1 . ILE A 1 113 ? 15.382 64.472 83.103 1.00 32.24 ? 491 ILE A CG1 1 ATOM 870 C CG2 . ILE A 1 113 ? 14.113 66.633 82.785 1.00 29.20 ? 491 ILE A CG2 1 ATOM 871 C CD1 . ILE A 1 113 ? 15.193 63.950 81.690 1.00 34.26 ? 491 ILE A CD1 1 ATOM 872 N N . THR A 1 114 ? 13.884 67.975 85.807 1.00 31.53 ? 492 THR A N 1 ATOM 873 C CA . THR A 1 114 ? 12.986 69.040 86.247 1.00 35.50 ? 492 THR A CA 1 ATOM 874 C C . THR A 1 114 ? 12.764 70.082 85.149 1.00 32.28 ? 492 THR A C 1 ATOM 875 O O . THR A 1 114 ? 13.634 70.302 84.301 1.00 30.89 ? 492 THR A O 1 ATOM 876 C CB . THR A 1 114 ? 13.481 69.701 87.549 1.00 37.90 ? 492 THR A CB 1 ATOM 877 O OG1 . THR A 1 114 ? 14.869 70.007 87.432 1.00 40.23 ? 492 THR A OG1 1 ATOM 878 C CG2 . THR A 1 114 ? 13.292 68.758 88.737 1.00 48.27 ? 492 THR A CG2 1 ATOM 879 N N . LYS A 1 115 ? 11.589 70.708 85.160 1.00 33.28 ? 493 LYS A N 1 ATOM 880 C CA . LYS A 1 115 ? 11.239 71.715 84.150 1.00 35.25 ? 493 LYS A CA 1 ATOM 881 C C . LYS A 1 115 ? 11.839 73.081 84.451 1.00 32.96 ? 493 LYS A C 1 ATOM 882 O O . LYS A 1 115 ? 11.846 73.525 85.594 1.00 32.22 ? 493 LYS A O 1 ATOM 883 C CB . LYS A 1 115 ? 9.724 71.862 84.012 1.00 34.32 ? 493 LYS A CB 1 ATOM 884 C CG . LYS A 1 115 ? 9.024 70.591 83.558 1.00 40.25 ? 493 LYS A CG 1 ATOM 885 C CD . LYS A 1 115 ? 7.584 70.544 84.046 1.00 44.28 ? 493 LYS A CD 1 ATOM 886 C CE . LYS A 1 115 ? 6.646 71.284 83.113 1.00 42.47 ? 493 LYS A CE 1 ATOM 887 N NZ . LYS A 1 115 ? 5.229 71.159 83.556 1.00 47.06 ? 493 LYS A NZ 1 ATOM 888 N N . PRO A 1 116 ? 12.339 73.765 83.413 1.00 31.51 ? 494 PRO A N 1 ATOM 889 C CA . PRO A 1 116 ? 12.627 75.183 83.596 1.00 31.16 ? 494 PRO A CA 1 ATOM 890 C C . PRO A 1 116 ? 11.313 75.976 83.623 1.00 29.17 ? 494 PRO A C 1 ATOM 891 O O . PRO A 1 116 ? 10.240 75.404 83.381 1.00 27.81 ? 494 PRO A O 1 ATOM 892 C CB . PRO A 1 116 ? 13.456 75.544 82.356 1.00 29.80 ? 494 PRO A CB 1 ATOM 893 C CG . PRO A 1 116 ? 13.158 74.487 81.348 1.00 31.42 ? 494 PRO A CG 1 ATOM 894 C CD . PRO A 1 116 ? 12.623 73.278 82.050 1.00 31.16 ? 494 PRO A CD 1 ATOM 895 N N . LEU A 1 117 ? 11.397 77.275 83.903 1.00 30.15 ? 495 LEU A N 1 ATOM 896 C CA . LEU A 1 117 ? 10.214 78.147 83.971 1.00 34.01 ? 495 LEU A CA 1 ATOM 897 C C . LEU A 1 117 ? 9.517 78.340 82.624 1.00 29.91 ? 495 LEU A C 1 ATOM 898 O O . LEU A 1 117 ? 8.310 78.611 82.573 1.00 30.26 ? 495 LEU A O 1 ATOM 899 C CB . LEU A 1 117 ? 10.611 79.517 84.543 1.00 38.29 ? 495 LEU A CB 1 ATOM 900 C CG . LEU A 1 117 ? 10.313 79.901 86.003 1.00 49.93 ? 495 LEU A CG 1 ATOM 901 C CD1 . LEU A 1 117 ? 10.341 78.734 86.985 1.00 50.42 ? 495 LEU A CD1 1 ATOM 902 C CD2 . LEU A 1 117 ? 11.266 81.010 86.448 1.00 55.52 ? 495 LEU A CD2 1 ATOM 903 N N . LYS A 1 118 ? 10.289 78.205 81.548 1.00 23.28 ? 496 LYS A N 1 ATOM 904 C CA . LYS A 1 118 ? 9.844 78.515 80.181 1.00 25.17 ? 496 LYS A CA 1 ATOM 905 C C . LYS A 1 118 ? 10.919 78.036 79.200 1.00 20.57 ? 496 LYS A C 1 ATOM 906 O O . LYS A 1 118 ? 11.995 77.622 79.619 1.00 23.00 ? 496 LYS A O 1 ATOM 907 C CB . LYS A 1 118 ? 9.667 80.038 80.013 1.00 25.59 ? 496 LYS A CB 1 ATOM 908 C CG . LYS A 1 118 ? 10.998 80.796 80.064 1.00 25.38 ? 496 LYS A CG 1 ATOM 909 C CD . LYS A 1 118 ? 10.832 82.307 80.071 1.00 30.35 ? 496 LYS A CD 1 ATOM 910 C CE . LYS A 1 118 ? 10.738 82.872 81.475 1.00 31.84 ? 496 LYS A CE 1 ATOM 911 N NZ . LYS A 1 118 ? 10.657 84.358 81.432 1.00 31.94 ? 496 LYS A NZ 1 ATOM 912 N N . TYR A 1 119 ? 10.634 78.099 77.906 1.00 18.03 ? 497 TYR A N 1 ATOM 913 C CA . TYR A 1 119 ? 11.665 77.918 76.896 1.00 20.59 ? 497 TYR A CA 1 ATOM 914 C C . TYR A 1 119 ? 12.180 79.292 76.506 1.00 22.64 ? 497 TYR A C 1 ATOM 915 O O . TYR A 1 119 ? 11.386 80.237 76.381 1.00 25.50 ? 497 TYR A O 1 ATOM 916 C CB . TYR A 1 119 ? 11.114 77.217 75.657 1.00 18.25 ? 497 TYR A CB 1 ATOM 917 C CG . TYR A 1 119 ? 10.521 75.854 75.945 1.00 21.97 ? 497 TYR A CG 1 ATOM 918 C CD1 . TYR A 1 119 ? 11.340 74.721 76.063 1.00 20.69 ? 497 TYR A CD1 1 ATOM 919 C CD2 . TYR A 1 119 ? 9.137 75.691 76.095 1.00 22.80 ? 497 TYR A CD2 1 ATOM 920 C CE1 . TYR A 1 119 ? 10.797 73.462 76.313 1.00 20.36 ? 497 TYR A CE1 1 ATOM 921 C CE2 . TYR A 1 119 ? 8.585 74.441 76.356 1.00 21.60 ? 497 TYR A CE2 1 ATOM 922 C CZ . TYR A 1 119 ? 9.412 73.328 76.452 1.00 22.49 ? 497 TYR A CZ 1 ATOM 923 O OH . TYR A 1 119 ? 8.856 72.082 76.692 1.00 20.91 ? 497 TYR A OH 1 ATOM 924 N N . SER A 1 120 ? 13.493 79.408 76.337 1.00 19.88 ? 498 SER A N 1 ATOM 925 C CA . SER A 1 120 ? 14.110 80.645 75.833 1.00 19.74 ? 498 SER A CA 1 ATOM 926 C C . SER A 1 120 ? 14.917 80.322 74.589 1.00 19.76 ? 498 SER A C 1 ATOM 927 O O . SER A 1 120 ? 15.449 79.223 74.465 1.00 21.10 ? 498 SER A O 1 ATOM 928 C CB . SER A 1 120 ? 15.047 81.266 76.884 1.00 18.22 ? 498 SER A CB 1 ATOM 929 O OG . SER A 1 120 ? 14.364 81.586 78.090 1.00 18.77 ? 498 SER A OG 1 ATOM 930 N N . TYR A 1 121 ? 15.015 81.284 73.676 1.00 19.19 ? 499 TYR A N 1 ATOM 931 C CA . TYR A 1 121 ? 15.956 81.193 72.568 1.00 19.51 ? 499 TYR A CA 1 ATOM 932 C C . TYR A 1 121 ? 16.380 82.576 72.093 1.00 18.70 ? 499 TYR A C 1 ATOM 933 O O . TYR A 1 121 ? 15.708 83.580 72.358 1.00 20.00 ? 499 TYR A O 1 ATOM 934 C CB . TYR A 1 121 ? 15.401 80.365 71.390 1.00 17.68 ? 499 TYR A CB 1 ATOM 935 C CG . TYR A 1 121 ? 14.222 81.002 70.657 1.00 20.10 ? 499 TYR A CG 1 ATOM 936 C CD1 . TYR A 1 121 ? 12.908 80.781 71.093 1.00 20.56 ? 499 TYR A CD1 1 ATOM 937 C CD2 . TYR A 1 121 ? 14.422 81.809 69.523 1.00 18.29 ? 499 TYR A CD2 1 ATOM 938 C CE1 . TYR A 1 121 ? 11.822 81.357 70.434 1.00 19.45 ? 499 TYR A CE1 1 ATOM 939 C CE2 . TYR A 1 121 ? 13.341 82.380 68.841 1.00 21.67 ? 499 TYR A CE2 1 ATOM 940 C CZ . TYR A 1 121 ? 12.045 82.150 69.307 1.00 22.21 ? 499 TYR A CZ 1 ATOM 941 O OH . TYR A 1 121 ? 10.964 82.703 68.665 1.00 23.33 ? 499 TYR A OH 1 ATOM 942 N N . ILE A 1 122 ? 17.497 82.607 71.376 1.00 19.08 ? 500 ILE A N 1 ATOM 943 C CA . ILE A 1 122 ? 18.018 83.826 70.769 1.00 19.63 ? 500 ILE A CA 1 ATOM 944 C C . ILE A 1 122 ? 17.314 84.011 69.428 1.00 20.01 ? 500 ILE A C 1 ATOM 945 O O . ILE A 1 122 ? 17.383 83.135 68.560 1.00 22.85 ? 500 ILE A O 1 ATOM 946 C CB . ILE A 1 122 ? 19.549 83.730 70.587 1.00 19.94 ? 500 ILE A CB 1 ATOM 947 C CG1 . ILE A 1 122 ? 20.233 83.548 71.958 1.00 20.49 ? 500 ILE A CG1 1 ATOM 948 C CG2 . ILE A 1 122 ? 20.097 84.970 69.873 1.00 18.41 ? 500 ILE A CG2 1 ATOM 949 C CD1 . ILE A 1 122 ? 21.747 83.343 71.897 1.00 20.39 ? 500 ILE A CD1 1 ATOM 950 N N . ASN A 1 123 ? 16.601 85.124 69.266 1.00 18.47 ? 501 ASN A N 1 ATOM 951 C CA . ASN A 1 123 ? 15.923 85.384 67.991 1.00 19.72 ? 501 ASN A CA 1 ATOM 952 C C . ASN A 1 123 ? 16.776 86.207 67.039 1.00 19.28 ? 501 ASN A C 1 ATOM 953 O O . ASN A 1 123 ? 16.438 86.363 65.866 1.00 21.11 ? 501 ASN A O 1 ATOM 954 C CB . ASN A 1 123 ? 14.548 86.048 68.218 1.00 24.16 ? 501 ASN A CB 1 ATOM 955 C CG . ASN A 1 123 ? 14.663 87.465 68.780 1.00 25.01 ? 501 ASN A CG 1 ATOM 956 O OD1 . ASN A 1 123 ? 15.292 88.328 68.167 1.00 29.51 ? 501 ASN A OD1 1 ATOM 957 N ND2 . ASN A 1 123 ? 14.049 87.712 69.943 1.00 21.48 ? 501 ASN A ND2 1 ATOM 958 N N . LYS A 1 124 ? 17.885 86.737 67.546 1.00 18.52 ? 502 LYS A N 1 ATOM 959 C CA . LYS A 1 124 ? 18.772 87.597 66.745 1.00 22.11 ? 502 LYS A CA 1 ATOM 960 C C . LYS A 1 124 ? 20.146 87.684 67.393 1.00 19.81 ? 502 LYS A C 1 ATOM 961 O O . LYS A 1 124 ? 20.244 87.899 68.593 1.00 21.48 ? 502 LYS A O 1 ATOM 962 C CB . LYS A 1 124 ? 18.178 89.010 66.640 1.00 26.01 ? 502 LYS A CB 1 ATOM 963 C CG . LYS A 1 124 ? 19.020 89.997 65.838 1.00 37.55 ? 502 LYS A CG 1 ATOM 964 C CD . LYS A 1 124 ? 18.655 91.424 66.210 1.00 45.32 ? 502 LYS A CD 1 ATOM 965 C CE . LYS A 1 124 ? 19.120 92.379 65.138 1.00 45.19 ? 502 LYS A CE 1 ATOM 966 N NZ . LYS A 1 124 ? 19.023 93.774 65.624 1.00 46.62 ? 502 LYS A NZ 1 ATOM 967 N N . CYS A 1 125 ? 21.199 87.484 66.608 1.00 21.19 ? 503 CYS A N 1 ATOM 968 C CA . CYS A 1 125 ? 22.583 87.763 67.046 1.00 23.60 ? 503 CYS A CA 1 ATOM 969 C C . CYS A 1 125 ? 23.257 88.447 65.847 1.00 22.64 ? 503 CYS A C 1 ATOM 970 O O . CYS A 1 125 ? 23.281 87.905 64.729 1.00 21.49 ? 503 CYS A O 1 ATOM 971 C CB . CYS A 1 125 ? 23.315 86.486 67.507 1.00 27.21 ? 503 CYS A CB 1 ATOM 972 S SG . CYS A 1 125 ? 25.027 86.678 68.125 1.00 35.48 ? 503 CYS A SG 1 ATOM 973 N N . SER A 1 126 ? 23.763 89.653 66.075 1.00 18.55 ? 504 SER A N 1 ATOM 974 C CA . SER A 1 126 ? 24.123 90.560 65.006 1.00 20.39 ? 504 SER A CA 1 ATOM 975 C C . SER A 1 126 ? 25.282 91.467 65.450 1.00 21.32 ? 504 SER A C 1 ATOM 976 O O . SER A 1 126 ? 25.476 91.685 66.655 1.00 20.58 ? 504 SER A O 1 ATOM 977 C CB . SER A 1 126 ? 22.896 91.425 64.685 1.00 26.62 ? 504 SER A CB 1 ATOM 978 O OG . SER A 1 126 ? 22.950 91.903 63.366 1.00 42.87 ? 504 SER A OG 1 ATOM 979 N N . ARG A 1 127 ? 26.051 91.976 64.487 1.00 22.01 ? 505 ARG A N 1 ATOM 980 C CA . ARG A 1 127 ? 27.093 92.974 64.758 1.00 25.16 ? 505 ARG A CA 1 ATOM 981 C C . ARG A 1 127 ? 26.777 94.250 64.029 1.00 22.47 ? 505 ARG A C 1 ATOM 982 O O . ARG A 1 127 ? 26.551 94.217 62.815 1.00 22.26 ? 505 ARG A O 1 ATOM 983 C CB . ARG A 1 127 ? 28.424 92.549 64.168 1.00 29.76 ? 505 ARG A CB 1 ATOM 984 C CG . ARG A 1 127 ? 29.339 91.820 65.086 1.00 36.58 ? 505 ARG A CG 1 ATOM 985 C CD . ARG A 1 127 ? 30.679 91.766 64.392 1.00 38.03 ? 505 ARG A CD 1 ATOM 986 N NE . ARG A 1 127 ? 31.618 92.767 64.886 1.00 24.60 ? 505 ARG A NE 1 ATOM 987 C CZ . ARG A 1 127 ? 32.783 92.460 65.438 1.00 25.87 ? 505 ARG A CZ 1 ATOM 988 N NH1 . ARG A 1 127 ? 33.132 91.184 65.581 1.00 28.39 ? 505 ARG A NH1 1 ATOM 989 N NH2 . ARG A 1 127 ? 33.604 93.419 65.853 1.00 25.43 ? 505 ARG A NH2 1 ATOM 990 N N . LEU A 1 128 ? 26.831 95.370 64.743 1.00 22.97 ? 506 LEU A N 1 ATOM 991 C CA . LEU A 1 128 ? 26.746 96.695 64.118 1.00 23.53 ? 506 LEU A CA 1 ATOM 992 C C . LEU A 1 128 ? 28.148 97.137 63.709 1.00 20.04 ? 506 LEU A C 1 ATOM 993 O O . LEU A 1 128 ? 29.044 97.183 64.545 1.00 19.88 ? 506 LEU A O 1 ATOM 994 C CB . LEU A 1 128 ? 26.152 97.712 65.105 1.00 24.40 ? 506 LEU A CB 1 ATOM 995 C CG . LEU A 1 128 ? 25.785 99.103 64.568 1.00 30.35 ? 506 LEU A CG 1 ATOM 996 C CD1 . LEU A 1 128 ? 24.624 99.040 63.588 1.00 31.09 ? 506 LEU A CD1 1 ATOM 997 C CD2 . LEU A 1 128 ? 25.468 100.048 65.728 1.00 37.03 ? 506 LEU A CD2 1 ATOM 998 N N . LEU A 1 129 ? 28.327 97.468 62.433 1.00 21.23 ? 507 LEU A N 1 ATOM 999 C CA . LEU A 1 129 ? 29.620 97.925 61.922 1.00 23.10 ? 507 LEU A CA 1 ATOM 1000 C C . LEU A 1 129 ? 29.888 99.380 62.301 1.00 25.60 ? 507 LEU A C 1 ATOM 1001 O O . LEU A 1 129 ? 29.028 100.041 62.883 1.00 26.86 ? 507 LEU A O 1 ATOM 1002 C CB . LEU A 1 129 ? 29.694 97.731 60.406 1.00 21.49 ? 507 LEU A CB 1 ATOM 1003 C CG . LEU A 1 129 ? 29.466 96.283 59.934 1.00 22.61 ? 507 LEU A CG 1 ATOM 1004 C CD1 . LEU A 1 129 ? 29.665 96.188 58.438 1.00 22.22 ? 507 LEU A CD1 1 ATOM 1005 C CD2 . LEU A 1 129 ? 30.375 95.292 60.657 1.00 21.28 ? 507 LEU A CD2 1 ATOM 1006 N N . SER A 1 130 ? 31.083 99.870 61.971 1.00 26.12 ? 508 SER A N 1 ATOM 1007 C CA . SER A 1 130 ? 31.505 101.208 62.360 1.00 24.96 ? 508 SER A CA 1 ATOM 1008 C C . SER A 1 130 ? 30.707 102.306 61.671 1.00 25.34 ? 508 SER A C 1 ATOM 1009 O O . SER A 1 130 ? 30.645 103.417 62.182 1.00 32.75 ? 508 SER A O 1 ATOM 1010 C CB . SER A 1 130 ? 32.997 101.409 62.089 1.00 22.88 ? 508 SER A CB 1 ATOM 1011 O OG . SER A 1 130 ? 33.218 101.579 60.699 1.00 22.57 ? 508 SER A OG 1 ATOM 1012 N N . ASP A 1 131 ? 30.105 102.012 60.516 1.00 27.12 ? 509 ASP A N 1 ATOM 1013 C CA . ASP A 1 131 ? 29.242 102.991 59.838 1.00 33.53 ? 509 ASP A CA 1 ATOM 1014 C C . ASP A 1 131 ? 27.972 103.273 60.648 1.00 36.60 ? 509 ASP A C 1 ATOM 1015 O O . ASP A 1 131 ? 27.166 104.123 60.268 1.00 37.61 ? 509 ASP A O 1 ATOM 1016 C CB . ASP A 1 131 ? 28.882 102.536 58.413 1.00 34.98 ? 509 ASP A CB 1 ATOM 1017 C CG . ASP A 1 131 ? 27.991 101.267 58.374 1.00 35.21 ? 509 ASP A CG 1 ATOM 1018 O OD1 . ASP A 1 131 ? 27.619 100.691 59.422 1.00 36.51 ? 509 ASP A OD1 1 ATOM 1019 O OD2 . ASP A 1 131 ? 27.662 100.837 57.251 1.00 32.86 ? 509 ASP A OD2 1 ATOM 1020 N N . ASP A 1 132 ? 27.806 102.536 61.751 1.00 36.71 ? 510 ASP A N 1 ATOM 1021 C CA . ASP A 1 132 ? 26.640 102.635 62.646 1.00 43.22 ? 510 ASP A CA 1 ATOM 1022 C C . ASP A 1 132 ? 25.286 102.355 61.967 1.00 43.32 ? 510 ASP A C 1 ATOM 1023 O O . ASP A 1 132 ? 24.238 102.678 62.523 1.00 52.44 ? 510 ASP A O 1 ATOM 1024 C CB . ASP A 1 132 ? 26.613 103.995 63.377 1.00 47.05 ? 510 ASP A CB 1 ATOM 1025 C CG . ASP A 1 132 ? 27.698 104.112 64.434 1.00 54.14 ? 510 ASP A CG 1 ATOM 1026 O OD1 . ASP A 1 132 ? 27.988 103.112 65.132 1.00 64.45 ? 510 ASP A OD1 1 ATOM 1027 O OD2 . ASP A 1 132 ? 28.262 105.216 64.576 1.00 59.03 ? 510 ASP A OD2 1 ATOM 1028 N N . ARG A 1 133 ? 25.319 101.749 60.780 1.00 43.93 ? 511 ARG A N 1 ATOM 1029 C CA . ARG A 1 133 ? 24.108 101.456 60.007 1.00 48.58 ? 511 ARG A CA 1 ATOM 1030 C C . ARG A 1 133 ? 23.983 99.966 59.698 1.00 49.67 ? 511 ARG A C 1 ATOM 1031 O O . ARG A 1 133 ? 22.946 99.354 59.962 1.00 54.82 ? 511 ARG A O 1 ATOM 1032 C CB . ARG A 1 133 ? 24.097 102.244 58.695 1.00 53.12 ? 511 ARG A CB 1 ATOM 1033 C CG . ARG A 1 133 ? 23.755 103.720 58.834 1.00 69.99 ? 511 ARG A CG 1 ATOM 1034 C CD . ARG A 1 133 ? 23.897 104.443 57.500 1.00 86.72 ? 511 ARG A CD 1 ATOM 1035 N NE . ARG A 1 133 ? 23.197 105.731 57.483 1.00 103.41 ? 511 ARG A NE 1 ATOM 1036 C CZ . ARG A 1 133 ? 23.732 106.896 57.847 1.00 99.28 ? 511 ARG A CZ 1 ATOM 1037 N NH1 . ARG A 1 133 ? 24.991 106.965 58.269 1.00 99.91 ? 511 ARG A NH1 1 ATOM 1038 N NH2 . ARG A 1 133 ? 23.002 108.002 57.789 1.00 105.15 ? 511 ARG A NH2 1 ATOM 1039 N N . THR A 1 134 ? 25.044 99.389 59.143 1.00 33.84 ? 512 THR A N 1 ATOM 1040 C CA . THR A 1 134 ? 25.022 98.012 58.677 1.00 36.06 ? 512 THR A CA 1 ATOM 1041 C C . THR A 1 134 ? 25.104 97.013 59.825 1.00 33.74 ? 512 THR A C 1 ATOM 1042 O O . THR A 1 134 ? 25.988 97.103 60.676 1.00 33.69 ? 512 THR A O 1 ATOM 1043 C CB . THR A 1 134 ? 26.156 97.771 57.668 1.00 40.05 ? 512 THR A CB 1 ATOM 1044 O OG1 . THR A 1 134 ? 26.065 98.749 56.626 1.00 48.71 ? 512 THR A OG1 1 ATOM 1045 C CG2 . THR A 1 134 ? 26.072 96.370 57.054 1.00 40.29 ? 512 THR A CG2 1 ATOM 1046 N N . GLU A 1 135 ? 24.155 96.077 59.860 1.00 31.11 ? 513 GLU A N 1 ATOM 1047 C CA . GLU A 1 135 ? 24.174 95.000 60.845 1.00 31.02 ? 513 GLU A CA 1 ATOM 1048 C C . GLU A 1 135 ? 24.532 93.718 60.112 1.00 24.96 ? 513 GLU A C 1 ATOM 1049 O O . GLU A 1 135 ? 23.983 93.432 59.063 1.00 30.81 ? 513 GLU A O 1 ATOM 1050 C CB . GLU A 1 135 ? 22.824 94.839 61.558 1.00 37.10 ? 513 GLU A CB 1 ATOM 1051 C CG . GLU A 1 135 ? 22.566 95.844 62.677 1.00 40.93 ? 513 GLU A CG 1 ATOM 1052 C CD . GLU A 1 135 ? 21.340 95.502 63.516 1.00 51.74 ? 513 GLU A CD 1 ATOM 1053 O OE1 . GLU A 1 135 ? 21.129 94.316 63.820 1.00 54.21 ? 513 GLU A OE1 1 ATOM 1054 O OE2 . GLU A 1 135 ? 20.582 96.418 63.894 1.00 57.60 ? 513 GLU A OE2 1 ATOM 1055 N N . VAL A 1 136 ? 25.469 92.962 60.656 1.00 23.80 ? 514 VAL A N 1 ATOM 1056 C CA . VAL A 1 136 ? 25.870 91.695 60.042 1.00 21.94 ? 514 VAL A CA 1 ATOM 1057 C C . VAL A 1 136 ? 25.430 90.541 60.938 1.00 20.76 ? 514 VAL A C 1 ATOM 1058 O O . VAL A 1 136 ? 25.858 90.456 62.083 1.00 21.87 ? 514 VAL A O 1 ATOM 1059 C CB . VAL A 1 136 ? 27.394 91.648 59.822 1.00 22.16 ? 514 VAL A CB 1 ATOM 1060 C CG1 . VAL A 1 136 ? 27.827 90.275 59.319 1.00 17.80 ? 514 VAL A CG1 1 ATOM 1061 C CG2 . VAL A 1 136 ? 27.830 92.760 58.849 1.00 22.40 ? 514 VAL A CG2 1 ATOM 1062 N N . PRO A 1 137 ? 24.580 89.637 60.421 1.00 23.37 ? 515 PRO A N 1 ATOM 1063 C CA . PRO A 1 137 ? 24.146 88.517 61.261 1.00 22.80 ? 515 PRO A CA 1 ATOM 1064 C C . PRO A 1 137 ? 25.360 87.726 61.748 1.00 23.36 ? 515 PRO A C 1 ATOM 1065 O O . PRO A 1 137 ? 26.316 87.551 60.995 1.00 27.95 ? 515 PRO A O 1 ATOM 1066 C CB . PRO A 1 137 ? 23.307 87.656 60.300 1.00 25.06 ? 515 PRO A CB 1 ATOM 1067 C CG . PRO A 1 137 ? 22.877 88.586 59.209 1.00 27.90 ? 515 PRO A CG 1 ATOM 1068 C CD . PRO A 1 137 ? 24.021 89.562 59.054 1.00 25.91 ? 515 PRO A CD 1 ATOM 1069 N N . GLN A 1 138 ? 25.326 87.274 62.997 1.00 19.88 ? 516 GLN A N 1 ATOM 1070 C CA . GLN A 1 138 ? 26.380 86.448 63.559 1.00 23.04 ? 516 GLN A CA 1 ATOM 1071 C C . GLN A 1 138 ? 25.882 85.011 63.660 1.00 26.58 ? 516 GLN A C 1 ATOM 1072 O O . GLN A 1 138 ? 25.219 84.638 64.631 1.00 26.57 ? 516 GLN A O 1 ATOM 1073 C CB . GLN A 1 138 ? 26.812 86.994 64.923 1.00 22.95 ? 516 GLN A CB 1 ATOM 1074 C CG . GLN A 1 138 ? 27.374 88.409 64.854 1.00 23.56 ? 516 GLN A CG 1 ATOM 1075 C CD . GLN A 1 138 ? 28.617 88.478 63.968 1.00 25.69 ? 516 GLN A CD 1 ATOM 1076 O OE1 . GLN A 1 138 ? 28.587 89.001 62.836 1.00 25.64 ? 516 GLN A OE1 1 ATOM 1077 N NE2 . GLN A 1 138 ? 29.700 87.917 64.459 1.00 21.87 ? 516 GLN A NE2 1 ATOM 1078 N N . LEU A 1 139 ? 26.196 84.214 62.638 1.00 28.25 ? 517 LEU A N 1 ATOM 1079 C CA . LEU A 1 139 ? 25.687 82.847 62.529 1.00 27.40 ? 517 LEU A CA 1 ATOM 1080 C C . LEU A 1 139 ? 26.510 81.907 63.397 1.00 25.99 ? 517 LEU A C 1 ATOM 1081 O O . LEU A 1 139 ? 27.732 81.932 63.342 1.00 28.94 ? 517 LEU A O 1 ATOM 1082 C CB . LEU A 1 139 ? 25.718 82.395 61.067 1.00 26.21 ? 517 LEU A CB 1 ATOM 1083 C CG . LEU A 1 139 ? 24.983 83.329 60.082 1.00 32.89 ? 517 LEU A CG 1 ATOM 1084 C CD1 . LEU A 1 139 ? 25.095 82.805 58.657 1.00 39.05 ? 517 LEU A CD1 1 ATOM 1085 C CD2 . LEU A 1 139 ? 23.517 83.529 60.460 1.00 31.74 ? 517 LEU A CD2 1 ATOM 1086 N N . VAL A 1 140 ? 25.842 81.082 64.200 1.00 23.32 ? 518 VAL A N 1 ATOM 1087 C CA . VAL A 1 140 ? 26.530 80.116 65.047 1.00 22.54 ? 518 VAL A CA 1 ATOM 1088 C C . VAL A 1 140 ? 27.229 79.075 64.161 1.00 22.95 ? 518 VAL A C 1 ATOM 1089 O O . VAL A 1 140 ? 26.703 78.683 63.119 1.00 23.27 ? 518 VAL A O 1 ATOM 1090 C CB . VAL A 1 140 ? 25.561 79.447 66.062 1.00 21.11 ? 518 VAL A CB 1 ATOM 1091 C CG1 . VAL A 1 140 ? 24.530 78.556 65.360 1.00 18.05 ? 518 VAL A CG1 1 ATOM 1092 C CG2 . VAL A 1 140 ? 26.333 78.683 67.152 1.00 21.69 ? 518 VAL A CG2 1 ATOM 1093 N N . ASN A 1 141 ? 28.423 78.668 64.573 1.00 24.02 ? 519 ASN A N 1 ATOM 1094 C CA . ASN A 1 141 ? 29.168 77.611 63.897 1.00 28.21 ? 519 ASN A CA 1 ATOM 1095 C C . ASN A 1 141 ? 28.828 76.240 64.461 1.00 27.99 ? 519 ASN A C 1 ATOM 1096 O O . ASN A 1 141 ? 28.496 76.126 65.633 1.00 27.18 ? 519 ASN A O 1 ATOM 1097 C CB . ASN A 1 141 ? 30.677 77.849 64.035 1.00 27.86 ? 519 ASN A CB 1 ATOM 1098 C CG . ASN A 1 141 ? 31.146 79.056 63.244 1.00 29.45 ? 519 ASN A CG 1 ATOM 1099 O OD1 . ASN A 1 141 ? 30.755 79.253 62.082 1.00 29.26 ? 519 ASN A OD1 1 ATOM 1100 N ND2 . ASN A 1 141 ? 31.980 79.881 63.869 1.00 26.34 ? 519 ASN A ND2 1 ATOM 1101 N N . ALA A 1 142 ? 28.923 75.207 63.627 1.00 29.37 ? 520 ALA A N 1 ATOM 1102 C CA . ALA A 1 142 ? 28.862 73.825 64.100 1.00 32.30 ? 520 ALA A CA 1 ATOM 1103 C C . ALA A 1 142 ? 29.808 73.638 65.281 1.00 33.66 ? 520 ALA A C 1 ATOM 1104 O O . ALA A 1 142 ? 30.940 74.123 65.249 1.00 35.82 ? 520 ALA A O 1 ATOM 1105 C CB . ALA A 1 142 ? 29.232 72.862 62.972 1.00 31.35 ? 520 ALA A CB 1 ATOM 1106 N N . ASN A 1 143 ? 29.334 72.963 66.329 1.00 32.70 ? 521 ASN A N 1 ATOM 1107 C CA . ASN A 1 143 ? 30.169 72.604 67.491 1.00 37.05 ? 521 ASN A CA 1 ATOM 1108 C C . ASN A 1 143 ? 30.587 73.770 68.379 1.00 36.59 ? 521 ASN A C 1 ATOM 1109 O O . ASN A 1 143 ? 31.533 73.650 69.162 1.00 42.07 ? 521 ASN A O 1 ATOM 1110 C CB . ASN A 1 143 ? 31.412 71.800 67.049 1.00 36.50 ? 521 ASN A CB 1 ATOM 1111 C CG . ASN A 1 143 ? 31.045 70.509 66.343 1.00 37.73 ? 521 ASN A CG 1 ATOM 1112 O OD1 . ASN A 1 143 ? 30.302 69.692 66.875 1.00 41.58 ? 521 ASN A OD1 1 ATOM 1113 N ND2 . ASN A 1 143 ? 31.558 70.326 65.138 1.00 37.25 ? 521 ASN A ND2 1 ATOM 1114 N N . GLN A 1 144 ? 29.877 74.891 68.269 1.00 34.37 ? 522 GLN A N 1 ATOM 1115 C CA . GLN A 1 144 ? 30.223 76.102 69.017 1.00 31.19 ? 522 GLN A CA 1 ATOM 1116 C C . GLN A 1 144 ? 28.974 76.768 69.583 1.00 27.91 ? 522 GLN A C 1 ATOM 1117 O O . GLN A 1 144 ? 27.852 76.534 69.120 1.00 26.66 ? 522 GLN A O 1 ATOM 1118 C CB . GLN A 1 144 ? 30.961 77.106 68.108 1.00 35.27 ? 522 GLN A CB 1 ATOM 1119 C CG . GLN A 1 144 ? 32.398 76.735 67.750 1.00 37.87 ? 522 GLN A CG 1 ATOM 1120 C CD . GLN A 1 144 ? 33.070 77.745 66.823 1.00 47.21 ? 522 GLN A CD 1 ATOM 1121 O OE1 . GLN A 1 144 ? 32.624 78.897 66.668 1.00 45.21 ? 522 GLN A OE1 1 ATOM 1122 N NE2 . GLN A 1 144 ? 34.152 77.313 66.195 1.00 48.61 ? 522 GLN A NE2 1 ATOM 1123 N N . TYR A 1 145 ? 29.175 77.622 70.572 1.00 27.72 ? 523 TYR A N 1 ATOM 1124 C CA . TYR A 1 145 ? 28.105 78.477 71.064 1.00 26.38 ? 523 TYR A CA 1 ATOM 1125 C C . TYR A 1 145 ? 28.037 79.739 70.219 1.00 23.32 ? 523 TYR A C 1 ATOM 1126 O O . TYR A 1 145 ? 29.018 80.102 69.566 1.00 23.72 ? 523 TYR A O 1 ATOM 1127 C CB . TYR A 1 145 ? 28.338 78.804 72.543 1.00 25.73 ? 523 TYR A CB 1 ATOM 1128 C CG . TYR A 1 145 ? 28.233 77.577 73.419 1.00 30.71 ? 523 TYR A CG 1 ATOM 1129 C CD1 . TYR A 1 145 ? 27.019 76.892 73.540 1.00 26.33 ? 523 TYR A CD1 1 ATOM 1130 C CD2 . TYR A 1 145 ? 29.347 77.081 74.110 1.00 34.96 ? 523 TYR A CD2 1 ATOM 1131 C CE1 . TYR A 1 145 ? 26.900 75.762 74.331 1.00 27.50 ? 523 TYR A CE1 1 ATOM 1132 C CE2 . TYR A 1 145 ? 29.240 75.940 74.912 1.00 38.70 ? 523 TYR A CE2 1 ATOM 1133 C CZ . TYR A 1 145 ? 28.007 75.291 75.013 1.00 37.54 ? 523 TYR A CZ 1 ATOM 1134 O OH . TYR A 1 145 ? 27.866 74.168 75.793 1.00 41.82 ? 523 TYR A OH 1 ATOM 1135 N N . SER A 1 146 ? 26.862 80.367 70.191 1.00 25.15 ? 524 SER A N 1 ATOM 1136 C CA . SER A 1 146 ? 26.696 81.722 69.656 1.00 24.58 ? 524 SER A CA 1 ATOM 1137 C C . SER A 1 146 ? 27.668 82.675 70.351 1.00 23.33 ? 524 SER A C 1 ATOM 1138 O O . SER A 1 146 ? 27.881 82.556 71.559 1.00 25.19 ? 524 SER A O 1 ATOM 1139 C CB . SER A 1 146 ? 25.279 82.206 69.955 1.00 25.46 ? 524 SER A CB 1 ATOM 1140 O OG . SER A 1 146 ? 25.099 83.552 69.541 1.00 26.98 ? 524 SER A OG 1 ATOM 1141 N N . PRO A 1 147 ? 28.246 83.639 69.607 1.00 27.95 ? 525 PRO A N 1 ATOM 1142 C CA . PRO A 1 147 ? 29.065 84.661 70.286 1.00 32.20 ? 525 PRO A CA 1 ATOM 1143 C C . PRO A 1 147 ? 28.237 85.430 71.310 1.00 34.88 ? 525 PRO A C 1 ATOM 1144 O O . PRO A 1 147 ? 28.782 85.971 72.291 1.00 33.95 ? 525 PRO A O 1 ATOM 1145 C CB . PRO A 1 147 ? 29.506 85.599 69.147 1.00 36.29 ? 525 PRO A CB 1 ATOM 1146 C CG . PRO A 1 147 ? 28.678 85.223 67.952 1.00 33.05 ? 525 PRO A CG 1 ATOM 1147 C CD . PRO A 1 147 ? 28.235 83.801 68.140 1.00 31.35 ? 525 PRO A CD 1 ATOM 1148 N N . CYS A 1 148 ? 26.924 85.447 71.082 1.00 28.82 ? 526 CYS A N 1 ATOM 1149 C CA . CYS A 1 148 ? 25.987 86.164 71.928 1.00 28.06 ? 526 CYS A CA 1 ATOM 1150 C C . CYS A 1 148 ? 25.697 85.470 73.276 1.00 23.53 ? 526 CYS A C 1 ATOM 1151 O O . CYS A 1 148 ? 25.008 86.049 74.113 1.00 25.22 ? 526 CYS A O 1 ATOM 1152 C CB . CYS A 1 148 ? 24.677 86.460 71.148 1.00 31.11 ? 526 CYS A CB 1 ATOM 1153 S SG . CYS A 1 148 ? 24.853 87.730 69.845 1.00 33.91 ? 526 CYS A SG 1 ATOM 1154 N N . VAL A 1 149 ? 26.212 84.255 73.506 1.00 23.20 ? 527 VAL A N 1 ATOM 1155 C CA . VAL A 1 149 ? 26.017 83.619 74.834 1.00 26.13 ? 527 VAL A CA 1 ATOM 1156 C C . VAL A 1 149 ? 26.683 84.424 75.940 1.00 28.27 ? 527 VAL A C 1 ATOM 1157 O O . VAL A 1 149 ? 26.364 84.254 77.106 1.00 34.68 ? 527 VAL A O 1 ATOM 1158 C CB . VAL A 1 149 ? 26.460 82.130 74.942 1.00 28.09 ? 527 VAL A CB 1 ATOM 1159 C CG1 . VAL A 1 149 ? 25.675 81.268 73.963 1.00 27.63 ? 527 VAL A CG1 1 ATOM 1160 C CG2 . VAL A 1 149 ? 27.977 81.966 74.768 1.00 28.92 ? 527 VAL A CG2 1 ATOM 1161 N N . SER A 1 150 ? 27.592 85.323 75.562 1.00 31.54 ? 528 SER A N 1 ATOM 1162 C CA . SER A 1 150 ? 28.278 86.162 76.539 1.00 34.39 ? 528 SER A CA 1 ATOM 1163 C C . SER A 1 150 ? 27.372 87.280 77.068 1.00 33.11 ? 528 SER A C 1 ATOM 1164 O O . SER A 1 150 ? 27.665 87.866 78.098 1.00 36.70 ? 528 SER A O 1 ATOM 1165 C CB . SER A 1 150 ? 29.579 86.741 75.956 1.00 35.51 ? 528 SER A CB 1 ATOM 1166 O OG . SER A 1 150 ? 29.328 87.568 74.822 1.00 36.27 ? 528 SER A OG 1 ATOM 1167 N N . ILE A 1 151 ? 26.274 87.570 76.370 1.00 32.53 ? 529 ILE A N 1 ATOM 1168 C CA . ILE A 1 151 ? 25.391 88.688 76.755 1.00 30.03 ? 529 ILE A CA 1 ATOM 1169 C C . ILE A 1 151 ? 23.929 88.285 76.993 1.00 28.72 ? 529 ILE A C 1 ATOM 1170 O O . ILE A 1 151 ? 23.158 89.061 77.550 1.00 28.53 ? 529 ILE A O 1 ATOM 1171 C CB . ILE A 1 151 ? 25.466 89.865 75.746 1.00 29.11 ? 529 ILE A CB 1 ATOM 1172 C CG1 . ILE A 1 151 ? 25.076 89.413 74.328 1.00 27.86 ? 529 ILE A CG1 1 ATOM 1173 C CG2 . ILE A 1 151 ? 26.854 90.497 75.780 1.00 33.41 ? 529 ILE A CG2 1 ATOM 1174 C CD1 . ILE A 1 151 ? 25.002 90.544 73.301 1.00 25.50 ? 529 ILE A CD1 1 ATOM 1175 N N . VAL A 1 152 ? 23.551 87.082 76.566 1.00 26.77 ? 530 VAL A N 1 ATOM 1176 C CA . VAL A 1 152 ? 22.189 86.588 76.770 1.00 24.78 ? 530 VAL A CA 1 ATOM 1177 C C . VAL A 1 152 ? 22.212 85.643 77.969 1.00 24.21 ? 530 VAL A C 1 ATOM 1178 O O . VAL A 1 152 ? 23.026 84.735 77.998 1.00 25.81 ? 530 VAL A O 1 ATOM 1179 C CB . VAL A 1 152 ? 21.665 85.831 75.528 1.00 25.31 ? 530 VAL A CB 1 ATOM 1180 C CG1 . VAL A 1 152 ? 20.242 85.320 75.760 1.00 23.31 ? 530 VAL A CG1 1 ATOM 1181 C CG2 . VAL A 1 152 ? 21.735 86.713 74.286 1.00 21.42 ? 530 VAL A CG2 1 ATOM 1182 N N . PRO A 1 153 ? 21.338 85.867 78.971 1.00 25.72 ? 531 PRO A N 1 ATOM 1183 C CA . PRO A 1 153 ? 21.349 85.032 80.182 1.00 26.39 ? 531 PRO A CA 1 ATOM 1184 C C . PRO A 1 153 ? 20.782 83.625 79.923 1.00 27.24 ? 531 PRO A C 1 ATOM 1185 O O . PRO A 1 153 ? 20.117 83.400 78.900 1.00 24.86 ? 531 PRO A O 1 ATOM 1186 C CB . PRO A 1 153 ? 20.464 85.829 81.165 1.00 27.53 ? 531 PRO A CB 1 ATOM 1187 C CG . PRO A 1 153 ? 19.529 86.597 80.272 1.00 26.57 ? 531 PRO A CG 1 ATOM 1188 C CD . PRO A 1 153 ? 20.334 86.952 79.050 1.00 25.76 ? 531 PRO A CD 1 ATOM 1189 N N . SER A 1 154 ? 21.040 82.687 80.836 1.00 24.55 ? 532 SER A N 1 ATOM 1190 C CA . SER A 1 154 ? 20.627 81.298 80.639 1.00 26.27 ? 532 SER A CA 1 ATOM 1191 C C . SER A 1 154 ? 19.095 81.131 80.565 1.00 25.63 ? 532 SER A C 1 ATOM 1192 O O . SER A 1 154 ? 18.593 80.127 80.051 1.00 26.34 ? 532 SER A O 1 ATOM 1193 C CB . SER A 1 154 ? 21.250 80.394 81.705 1.00 32.00 ? 532 SER A CB 1 ATOM 1194 O OG . SER A 1 154 ? 20.785 80.755 82.992 1.00 38.17 ? 532 SER A OG 1 ATOM 1195 N N . THR A 1 155 ? 18.367 82.129 81.055 1.00 24.62 ? 533 THR A N 1 ATOM 1196 C CA . THR A 1 155 ? 16.901 82.200 80.914 1.00 27.71 ? 533 THR A CA 1 ATOM 1197 C C . THR A 1 155 ? 16.560 83.609 80.469 1.00 27.28 ? 533 THR A C 1 ATOM 1198 O O . THR A 1 155 ? 17.006 84.564 81.109 1.00 28.77 ? 533 THR A O 1 ATOM 1199 C CB . THR A 1 155 ? 16.192 81.934 82.263 1.00 32.83 ? 533 THR A CB 1 ATOM 1200 O OG1 . THR A 1 155 ? 16.404 80.576 82.649 1.00 40.38 ? 533 THR A OG1 1 ATOM 1201 C CG2 . THR A 1 155 ? 14.685 82.169 82.161 1.00 35.73 ? 533 THR A CG2 1 ATOM 1202 N N . VAL A 1 156 ? 15.782 83.757 79.394 1.00 24.13 ? 534 VAL A N 1 ATOM 1203 C CA . VAL A 1 156 ? 15.374 85.099 78.958 1.00 23.16 ? 534 VAL A CA 1 ATOM 1204 C C . VAL A 1 156 ? 14.295 85.588 79.930 1.00 25.03 ? 534 VAL A C 1 ATOM 1205 O O . VAL A 1 156 ? 13.280 84.916 80.128 1.00 24.37 ? 534 VAL A O 1 ATOM 1206 C CB . VAL A 1 156 ? 14.927 85.130 77.476 1.00 21.05 ? 534 VAL A CB 1 ATOM 1207 C CG1 . VAL A 1 156 ? 14.186 86.414 77.123 1.00 17.13 ? 534 VAL A CG1 1 ATOM 1208 C CG2 . VAL A 1 156 ? 16.132 84.965 76.549 1.00 19.44 ? 534 VAL A CG2 1 ATOM 1209 N N . TRP A 1 157 ? 14.535 86.735 80.565 1.00 22.21 ? 535 TRP A N 1 ATOM 1210 C CA . TRP A 1 157 ? 13.601 87.256 81.565 1.00 23.77 ? 535 TRP A CA 1 ATOM 1211 C C . TRP A 1 157 ? 12.235 87.643 80.961 1.00 23.05 ? 535 TRP A C 1 ATOM 1212 O O . TRP A 1 157 ? 11.190 87.235 81.455 1.00 26.00 ? 535 TRP A O 1 ATOM 1213 C CB . TRP A 1 157 ? 14.206 88.441 82.329 1.00 23.57 ? 535 TRP A CB 1 ATOM 1214 C CG . TRP A 1 157 ? 13.267 89.001 83.366 1.00 26.86 ? 535 TRP A CG 1 ATOM 1215 C CD1 . TRP A 1 157 ? 12.447 90.098 83.241 1.00 26.48 ? 535 TRP A CD1 1 ATOM 1216 C CD2 . TRP A 1 157 ? 13.033 88.467 84.679 1.00 27.09 ? 535 TRP A CD2 1 ATOM 1217 N NE1 . TRP A 1 157 ? 11.724 90.278 84.401 1.00 26.56 ? 535 TRP A NE1 1 ATOM 1218 C CE2 . TRP A 1 157 ? 12.060 89.289 85.296 1.00 28.46 ? 535 TRP A CE2 1 ATOM 1219 C CE3 . TRP A 1 157 ? 13.554 87.369 85.391 1.00 28.11 ? 535 TRP A CE3 1 ATOM 1220 C CZ2 . TRP A 1 157 ? 11.602 89.061 86.606 1.00 30.60 ? 535 TRP A CZ2 1 ATOM 1221 C CZ3 . TRP A 1 157 ? 13.094 87.134 86.708 1.00 31.65 ? 535 TRP A CZ3 1 ATOM 1222 C CH2 . TRP A 1 157 ? 12.130 87.983 87.295 1.00 30.52 ? 535 TRP A CH2 1 ATOM 1223 N N . GLU A 1 158 ? 12.256 88.419 79.885 1.00 22.18 ? 536 GLU A N 1 ATOM 1224 C CA . GLU A 1 158 ? 11.038 88.898 79.267 1.00 24.00 ? 536 GLU A CA 1 ATOM 1225 C C . GLU A 1 158 ? 11.172 88.809 77.749 1.00 23.78 ? 536 GLU A C 1 ATOM 1226 O O . GLU A 1 158 ? 12.190 89.243 77.175 1.00 22.77 ? 536 GLU A O 1 ATOM 1227 C CB . GLU A 1 158 ? 10.801 90.341 79.720 1.00 28.32 ? 536 GLU A CB 1 ATOM 1228 C CG . GLU A 1 158 ? 9.503 90.977 79.276 1.00 32.82 ? 536 GLU A CG 1 ATOM 1229 C CD . GLU A 1 158 ? 9.071 92.107 80.208 1.00 43.43 ? 536 GLU A CD 1 ATOM 1230 O OE1 . GLU A 1 158 ? 7.845 92.318 80.316 1.00 49.88 ? 536 GLU A OE1 1 ATOM 1231 O OE2 . GLU A 1 158 ? 9.937 92.774 80.846 1.00 36.04 ? 536 GLU A OE2 1 ATOM 1232 N N . ASP A 1 159 ? 10.156 88.230 77.107 1.00 23.51 ? 537 ASP A N 1 ATOM 1233 C CA . ASP A 1 159 ? 10.122 88.080 75.651 1.00 25.41 ? 537 ASP A CA 1 ATOM 1234 C C . ASP A 1 159 ? 10.357 89.437 74.964 1.00 26.26 ? 537 ASP A C 1 ATOM 1235 O O . ASP A 1 159 ? 9.679 90.409 75.266 1.00 22.19 ? 537 ASP A O 1 ATOM 1236 C CB . ASP A 1 159 ? 8.767 87.485 75.228 1.00 22.97 ? 537 ASP A CB 1 ATOM 1237 C CG . ASP A 1 159 ? 8.677 87.210 73.732 1.00 27.18 ? 537 ASP A CG 1 ATOM 1238 O OD1 . ASP A 1 159 ? 9.428 86.377 73.210 1.00 31.19 ? 537 ASP A OD1 1 ATOM 1239 O OD2 . ASP A 1 159 ? 7.821 87.806 73.059 1.00 39.29 ? 537 ASP A OD2 1 ATOM 1240 N N . GLY A 1 160 ? 11.328 89.494 74.050 1.00 26.91 ? 538 GLY A N 1 ATOM 1241 C CA . GLY A 1 160 ? 11.689 90.741 73.370 1.00 23.74 ? 538 GLY A CA 1 ATOM 1242 C C . GLY A 1 160 ? 12.843 91.505 74.025 1.00 23.99 ? 538 GLY A C 1 ATOM 1243 O O . GLY A 1 160 ? 13.258 92.550 73.526 1.00 26.68 ? 538 GLY A O 1 ATOM 1244 N N . ASP A 1 161 ? 13.377 90.995 75.132 1.00 21.44 ? 539 ASP A N 1 ATOM 1245 C CA . ASP A 1 161 ? 14.522 91.635 75.778 1.00 20.72 ? 539 ASP A CA 1 ATOM 1246 C C . ASP A 1 161 ? 15.627 91.758 74.741 1.00 23.57 ? 539 ASP A C 1 ATOM 1247 O O . ASP A 1 161 ? 15.769 90.885 73.877 1.00 22.96 ? 539 ASP A O 1 ATOM 1248 C CB . ASP A 1 161 ? 15.028 90.783 76.930 1.00 20.62 ? 539 ASP A CB 1 ATOM 1249 C CG . ASP A 1 161 ? 14.413 91.165 78.263 1.00 23.23 ? 539 ASP A CG 1 ATOM 1250 O OD1 . ASP A 1 161 ? 13.759 92.212 78.353 1.00 27.00 ? 539 ASP A OD1 1 ATOM 1251 O OD2 . ASP A 1 161 ? 14.591 90.423 79.244 1.00 24.04 ? 539 ASP A OD2 1 ATOM 1252 N N A TYR A 1 162 ? 16.385 92.842 74.790 0.50 24.66 ? 540 TYR A N 1 ATOM 1253 N N B TYR A 1 162 ? 16.459 92.759 74.828 0.50 24.71 ? 540 TYR A N 1 ATOM 1254 C CA A TYR A 1 162 ? 17.555 92.935 73.928 0.50 25.36 ? 540 TYR A CA 1 ATOM 1255 C CA B TYR A 1 162 ? 17.489 93.093 73.874 0.50 25.25 ? 540 TYR A CA 1 ATOM 1256 C C A TYR A 1 162 ? 18.813 93.239 74.724 0.50 25.27 ? 540 TYR A C 1 ATOM 1257 C C B TYR A 1 162 ? 18.795 93.265 74.671 0.50 25.25 ? 540 TYR A C 1 ATOM 1258 O O A TYR A 1 162 ? 18.746 93.724 75.858 0.50 26.05 ? 540 TYR A O 1 ATOM 1259 O O B TYR A 1 162 ? 18.727 93.581 75.825 0.50 25.87 ? 540 TYR A O 1 ATOM 1260 C CB A TYR A 1 162 ? 17.339 93.865 72.726 0.50 27.23 ? 540 TYR A CB 1 ATOM 1261 C CB B TYR A 1 162 ? 17.058 94.388 73.205 0.50 27.20 ? 540 TYR A CB 1 ATOM 1262 C CG A TYR A 1 162 ? 17.067 95.311 73.039 0.50 34.90 ? 540 TYR A CG 1 ATOM 1263 C CG B TYR A 1 162 ? 17.482 94.595 71.803 0.50 30.97 ? 540 TYR A CG 1 ATOM 1264 C CD1 A TYR A 1 162 ? 18.059 96.271 72.882 0.50 40.18 ? 540 TYR A CD1 1 ATOM 1265 C CD1 B TYR A 1 162 ? 16.664 94.275 70.720 0.50 37.34 ? 540 TYR A CD1 1 ATOM 1266 C CD2 A TYR A 1 162 ? 15.805 95.734 73.454 0.50 41.31 ? 540 TYR A CD2 1 ATOM 1267 C CD2 B TYR A 1 162 ? 18.676 95.176 71.541 0.50 34.12 ? 540 TYR A CD2 1 ATOM 1268 C CE1 A TYR A 1 162 ? 17.810 97.605 73.153 0.50 42.49 ? 540 TYR A CE1 1 ATOM 1269 C CE1 B TYR A 1 162 ? 17.076 94.496 69.406 0.50 41.65 ? 540 TYR A CE1 1 ATOM 1270 C CE2 A TYR A 1 162 ? 15.552 97.071 73.723 0.50 42.14 ? 540 TYR A CE2 1 ATOM 1271 C CE2 B TYR A 1 162 ? 19.094 95.393 70.248 0.50 36.04 ? 540 TYR A CE2 1 ATOM 1272 C CZ A TYR A 1 162 ? 16.561 97.997 73.571 0.50 44.47 ? 540 TYR A CZ 1 ATOM 1273 C CZ B TYR A 1 162 ? 18.302 95.058 69.184 0.50 37.07 ? 540 TYR A CZ 1 ATOM 1274 O OH A TYR A 1 162 ? 16.327 99.320 73.837 0.50 50.97 ? 540 TYR A OH 1 ATOM 1275 O OH B TYR A 1 162 ? 18.842 95.318 67.935 0.50 46.55 ? 540 TYR A OH 1 ATOM 1276 N N . TYR A 1 163 ? 19.952 92.904 74.126 1.00 22.41 ? 541 TYR A N 1 ATOM 1277 C CA . TYR A 1 163 ? 21.245 92.898 74.796 1.00 22.73 ? 541 TYR A CA 1 ATOM 1278 C C . TYR A 1 163 ? 22.306 93.461 73.857 1.00 24.62 ? 541 TYR A C 1 ATOM 1279 O O . TYR A 1 163 ? 22.295 93.158 72.662 1.00 26.80 ? 541 TYR A O 1 ATOM 1280 C CB . TYR A 1 163 ? 21.648 91.462 75.178 1.00 21.60 ? 541 TYR A CB 1 ATOM 1281 C CG . TYR A 1 163 ? 20.522 90.607 75.708 1.00 22.88 ? 541 TYR A CG 1 ATOM 1282 C CD1 . TYR A 1 163 ? 20.258 90.536 77.075 1.00 23.12 ? 541 TYR A CD1 1 ATOM 1283 C CD2 . TYR A 1 163 ? 19.705 89.891 74.836 1.00 24.48 ? 541 TYR A CD2 1 ATOM 1284 C CE1 . TYR A 1 163 ? 19.217 89.757 77.560 1.00 24.06 ? 541 TYR A CE1 1 ATOM 1285 C CE2 . TYR A 1 163 ? 18.659 89.117 75.304 1.00 23.92 ? 541 TYR A CE2 1 ATOM 1286 C CZ . TYR A 1 163 ? 18.420 89.055 76.657 1.00 24.28 ? 541 TYR A CZ 1 ATOM 1287 O OH . TYR A 1 163 ? 17.388 88.284 77.108 1.00 22.72 ? 541 TYR A OH 1 ATOM 1288 N N . ARG A 1 164 ? 23.223 94.273 74.384 1.00 24.23 ? 542 ARG A N 1 ATOM 1289 C CA . ARG A 1 164 ? 24.376 94.721 73.589 1.00 23.92 ? 542 ARG A CA 1 ATOM 1290 C C . ARG A 1 164 ? 25.675 94.705 74.395 1.00 27.37 ? 542 ARG A C 1 ATOM 1291 O O . ARG A 1 164 ? 25.664 94.806 75.625 1.00 24.69 ? 542 ARG A O 1 ATOM 1292 C CB . ARG A 1 164 ? 24.169 96.116 73.001 1.00 22.55 ? 542 ARG A CB 1 ATOM 1293 C CG . ARG A 1 164 ? 22.854 96.350 72.279 1.00 23.72 ? 542 ARG A CG 1 ATOM 1294 C CD . ARG A 1 164 ? 22.891 97.714 71.609 1.00 25.01 ? 542 ARG A CD 1 ATOM 1295 N NE . ARG A 1 164 ? 21.683 97.991 70.846 1.00 24.72 ? 542 ARG A NE 1 ATOM 1296 C CZ . ARG A 1 164 ? 20.622 98.630 71.323 1.00 31.80 ? 542 ARG A CZ 1 ATOM 1297 N NH1 . ARG A 1 164 ? 20.591 99.065 72.589 1.00 31.68 ? 542 ARG A NH1 1 ATOM 1298 N NH2 . ARG A 1 164 ? 19.585 98.837 70.530 1.00 37.15 ? 542 ARG A NH2 1 ATOM 1299 N N . LYS A 1 165 ? 26.782 94.575 73.669 1.00 26.85 ? 543 LYS A N 1 ATOM 1300 C CA . LYS A 1 165 ? 28.129 94.639 74.213 1.00 26.28 ? 543 LYS A CA 1 ATOM 1301 C C . LYS A 1 165 ? 28.980 95.490 73.269 1.00 28.39 ? 543 LYS A C 1 ATOM 1302 O O . LYS A 1 165 ? 29.005 95.241 72.059 1.00 23.64 ? 543 LYS A O 1 ATOM 1303 C CB . LYS A 1 165 ? 28.740 93.243 74.290 1.00 27.86 ? 543 LYS A CB 1 ATOM 1304 C CG . LYS A 1 165 ? 30.076 93.221 75.011 1.00 33.28 ? 543 LYS A CG 1 ATOM 1305 C CD . LYS A 1 165 ? 30.667 91.832 75.098 1.00 37.24 ? 543 LYS A CD 1 ATOM 1306 C CE . LYS A 1 165 ? 32.023 91.911 75.783 1.00 46.71 ? 543 LYS A CE 1 ATOM 1307 N NZ . LYS A 1 165 ? 32.718 90.598 75.822 1.00 52.08 ? 543 LYS A NZ 1 ATOM 1308 N N . GLN A 1 166 ? 29.674 96.483 73.820 1.00 26.39 ? 544 GLN A N 1 ATOM 1309 C CA . GLN A 1 166 ? 30.618 97.284 73.059 1.00 27.71 ? 544 GLN A CA 1 ATOM 1310 C C . GLN A 1 166 ? 31.878 96.439 72.898 1.00 27.37 ? 544 GLN A C 1 ATOM 1311 O O . GLN A 1 166 ? 32.428 95.967 73.880 1.00 29.47 ? 544 GLN A O 1 ATOM 1312 C CB . GLN A 1 166 ? 30.924 98.571 73.831 1.00 34.92 ? 544 GLN A CB 1 ATOM 1313 C CG . GLN A 1 166 ? 31.648 99.631 73.021 1.00 46.59 ? 544 GLN A CG 1 ATOM 1314 C CD . GLN A 1 166 ? 31.525 101.020 73.628 1.00 53.21 ? 544 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 166 ? 31.628 101.204 74.852 1.00 55.71 ? 544 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 166 ? 31.303 102.010 72.772 1.00 51.76 ? 544 GLN A NE2 1 ATOM 1317 N N . LEU A 1 167 ? 32.319 96.213 71.665 1.00 29.92 ? 545 LEU A N 1 ATOM 1318 C CA . LEU A 1 167 ? 33.512 95.373 71.435 1.00 31.42 ? 545 LEU A CA 1 ATOM 1319 C C . LEU A 1 167 ? 34.795 96.210 71.365 1.00 29.83 ? 545 LEU A C 1 ATOM 1320 O O . LEU A 1 167 ? 34.766 97.355 70.922 1.00 27.22 ? 545 LEU A O 1 ATOM 1321 C CB . LEU A 1 167 ? 33.347 94.519 70.170 1.00 27.76 ? 545 LEU A CB 1 ATOM 1322 C CG . LEU A 1 167 ? 32.094 93.629 70.103 1.00 30.47 ? 545 LEU A CG 1 ATOM 1323 C CD1 . LEU A 1 167 ? 31.828 93.103 68.691 1.00 27.03 ? 545 LEU A CD1 1 ATOM 1324 C CD2 . LEU A 1 167 ? 32.147 92.473 71.107 1.00 28.49 ? 545 LEU A CD2 1 ATOM 1325 N N . SER A 1 168 ? 35.911 95.631 71.810 1.00 33.84 ? 546 SER A N 1 ATOM 1326 C CA . SER A 1 168 ? 37.206 96.314 71.807 1.00 36.70 ? 546 SER A CA 1 ATOM 1327 C C . SER A 1 168 ? 37.807 96.322 70.402 1.00 39.94 ? 546 SER A C 1 ATOM 1328 O O . SER A 1 168 ? 37.414 95.511 69.559 1.00 39.58 ? 546 SER A O 1 ATOM 1329 C CB . SER A 1 168 ? 38.173 95.629 72.772 1.00 38.40 ? 546 SER A CB 1 ATOM 1330 O OG . SER A 1 168 ? 38.509 94.332 72.306 1.00 41.94 ? 546 SER A OG 1 ATOM 1331 N N . PRO A 1 169 ? 38.761 97.238 70.141 1.00 45.79 ? 547 PRO A N 1 ATOM 1332 C CA . PRO A 1 169 ? 39.442 97.215 68.852 1.00 46.46 ? 547 PRO A CA 1 ATOM 1333 C C . PRO A 1 169 ? 39.953 95.816 68.509 1.00 47.08 ? 547 PRO A C 1 ATOM 1334 O O . PRO A 1 169 ? 39.842 95.394 67.353 1.00 52.76 ? 547 PRO A O 1 ATOM 1335 C CB . PRO A 1 169 ? 40.594 98.193 69.060 1.00 47.04 ? 547 PRO A CB 1 ATOM 1336 C CG . PRO A 1 169 ? 40.035 99.191 70.014 1.00 45.06 ? 547 PRO A CG 1 ATOM 1337 C CD . PRO A 1 169 ? 39.193 98.387 70.965 1.00 47.62 ? 547 PRO A CD 1 ATOM 1338 N N . LEU A 1 170 ? 40.459 95.099 69.514 1.00 48.95 ? 548 LEU A N 1 ATOM 1339 C CA . LEU A 1 170 ? 40.945 93.725 69.360 1.00 55.38 ? 548 LEU A CA 1 ATOM 1340 C C . LEU A 1 170 ? 39.876 92.747 68.879 1.00 57.47 ? 548 LEU A C 1 ATOM 1341 O O . LEU A 1 170 ? 40.185 91.757 68.213 1.00 62.68 ? 548 LEU A O 1 ATOM 1342 C CB . LEU A 1 170 ? 41.545 93.222 70.678 1.00 67.09 ? 548 LEU A CB 1 ATOM 1343 C CG . LEU A 1 170 ? 43.062 93.305 70.869 1.00 71.54 ? 548 LEU A CG 1 ATOM 1344 C CD1 . LEU A 1 170 ? 43.413 93.558 72.328 1.00 72.80 ? 548 LEU A CD1 1 ATOM 1345 C CD2 . LEU A 1 170 ? 43.739 92.037 70.364 1.00 66.90 ? 548 LEU A CD2 1 ATOM 1346 N N . GLU A 1 171 ? 38.623 93.026 69.225 1.00 53.20 ? 549 GLU A N 1 ATOM 1347 C CA . GLU A 1 171 ? 37.495 92.186 68.832 1.00 44.32 ? 549 GLU A CA 1 ATOM 1348 C C . GLU A 1 171 ? 36.863 92.651 67.514 1.00 37.16 ? 549 GLU A C 1 ATOM 1349 O O . GLU A 1 171 ? 35.839 92.099 67.079 1.00 35.14 ? 549 GLU A O 1 ATOM 1350 C CB . GLU A 1 171 ? 36.443 92.179 69.942 1.00 48.07 ? 549 GLU A CB 1 ATOM 1351 C CG . GLU A 1 171 ? 36.859 91.430 71.201 1.00 53.06 ? 549 GLU A CG 1 ATOM 1352 C CD . GLU A 1 171 ? 36.094 91.868 72.441 1.00 50.15 ? 549 GLU A CD 1 ATOM 1353 O OE1 . GLU A 1 171 ? 35.599 93.012 72.493 1.00 49.92 ? 549 GLU A OE1 1 ATOM 1354 O OE2 . GLU A 1 171 ? 35.998 91.064 73.383 1.00 66.27 ? 549 GLU A OE2 1 ATOM 1355 N N . GLY A 1 172 ? 37.473 93.660 66.887 1.00 30.50 ? 550 GLY A N 1 ATOM 1356 C CA . GLY A 1 172 ? 36.976 94.216 65.620 1.00 28.50 ? 550 GLY A CA 1 ATOM 1357 C C . GLY A 1 172 ? 36.101 95.461 65.735 1.00 25.86 ? 550 GLY A C 1 ATOM 1358 O O . GLY A 1 172 ? 35.582 95.939 64.728 1.00 25.97 ? 550 GLY A O 1 ATOM 1359 N N . GLY A 1 173 ? 35.938 95.989 66.950 1.00 24.53 ? 551 GLY A N 1 ATOM 1360 C CA . GLY A 1 173 ? 35.168 97.225 67.186 1.00 23.81 ? 551 GLY A CA 1 ATOM 1361 C C . GLY A 1 173 ? 33.664 97.005 67.053 1.00 23.78 ? 551 GLY A C 1 ATOM 1362 O O . GLY A 1 173 ? 33.204 95.877 66.838 1.00 21.57 ? 551 GLY A O 1 ATOM 1363 N N . GLY A 1 174 ? 32.892 98.079 67.192 1.00 22.14 ? 552 GLY A N 1 ATOM 1364 C CA . GLY A 1 174 ? 31.449 98.014 66.998 1.00 20.53 ? 552 GLY A CA 1 ATOM 1365 C C . GLY A 1 174 ? 30.720 97.398 68.184 1.00 23.15 ? 552 GLY A C 1 ATOM 1366 O O . GLY A 1 174 ? 31.242 97.367 69.306 1.00 23.73 ? 552 GLY A O 1 ATOM 1367 N N . TRP A 1 175 ? 29.510 96.908 67.927 1.00 21.43 ? 553 TRP A N 1 ATOM 1368 C CA . TRP A 1 175 ? 28.626 96.404 68.981 1.00 23.41 ? 553 TRP A CA 1 ATOM 1369 C C . TRP A 1 175 ? 28.130 95.026 68.580 1.00 22.76 ? 553 TRP A C 1 ATOM 1370 O O . TRP A 1 175 ? 27.757 94.828 67.428 1.00 25.65 ? 553 TRP A O 1 ATOM 1371 C CB . TRP A 1 175 ? 27.418 97.332 69.157 1.00 22.02 ? 553 TRP A CB 1 ATOM 1372 C CG . TRP A 1 175 ? 27.755 98.690 69.719 1.00 29.04 ? 553 TRP A CG 1 ATOM 1373 C CD1 . TRP A 1 175 ? 28.287 99.755 69.046 1.00 32.36 ? 553 TRP A CD1 1 ATOM 1374 C CD2 . TRP A 1 175 ? 27.573 99.119 71.075 1.00 29.97 ? 553 TRP A CD2 1 ATOM 1375 N NE1 . TRP A 1 175 ? 28.456 100.825 69.905 1.00 34.49 ? 553 TRP A NE1 1 ATOM 1376 C CE2 . TRP A 1 175 ? 28.024 100.459 71.155 1.00 33.58 ? 553 TRP A CE2 1 ATOM 1377 C CE3 . TRP A 1 175 ? 27.079 98.495 72.235 1.00 24.46 ? 553 TRP A CE3 1 ATOM 1378 C CZ2 . TRP A 1 175 ? 27.987 101.193 72.349 1.00 33.97 ? 553 TRP A CZ2 1 ATOM 1379 C CZ3 . TRP A 1 175 ? 27.047 99.221 73.420 1.00 29.06 ? 553 TRP A CZ3 1 ATOM 1380 C CH2 . TRP A 1 175 ? 27.497 100.561 73.467 1.00 34.35 ? 553 TRP A CH2 1 ATOM 1381 N N . LEU A 1 176 ? 28.159 94.085 69.523 1.00 22.54 ? 554 LEU A N 1 ATOM 1382 C CA . LEU A 1 176 ? 27.425 92.830 69.412 1.00 24.33 ? 554 LEU A CA 1 ATOM 1383 C C . LEU A 1 176 ? 26.006 93.099 69.935 1.00 25.62 ? 554 LEU A C 1 ATOM 1384 O O . LEU A 1 176 ? 25.838 93.712 70.993 1.00 23.39 ? 554 LEU A O 1 ATOM 1385 C CB . LEU A 1 176 ? 28.122 91.731 70.232 1.00 22.45 ? 554 LEU A CB 1 ATOM 1386 C CG . LEU A 1 176 ? 27.633 90.289 70.064 1.00 22.95 ? 554 LEU A CG 1 ATOM 1387 C CD1 . LEU A 1 176 ? 27.876 89.740 68.664 1.00 24.58 ? 554 LEU A CD1 1 ATOM 1388 C CD2 . LEU A 1 176 ? 28.277 89.385 71.106 1.00 22.57 ? 554 LEU A CD2 1 ATOM 1389 N N A VAL A 1 177 ? 24.995 92.668 69.184 0.50 23.70 ? 555 VAL A N 1 ATOM 1390 N N B VAL A 1 177 ? 25.004 92.640 69.183 0.50 23.42 ? 555 VAL A N 1 ATOM 1391 C CA A VAL A 1 177 ? 23.613 92.904 69.566 0.50 23.89 ? 555 VAL A CA 1 ATOM 1392 C CA B VAL A 1 177 ? 23.601 92.894 69.480 0.50 22.87 ? 555 VAL A CA 1 ATOM 1393 C C A VAL A 1 177 ? 22.777 91.635 69.421 0.50 25.99 ? 555 VAL A C 1 ATOM 1394 C C B VAL A 1 177 ? 22.802 91.592 69.428 0.50 25.74 ? 555 VAL A C 1 ATOM 1395 O O A VAL A 1 177 ? 22.864 90.922 68.406 0.50 26.21 ? 555 VAL A O 1 ATOM 1396 O O B VAL A 1 177 ? 22.938 90.808 68.474 0.50 25.58 ? 555 VAL A O 1 ATOM 1397 C CB A VAL A 1 177 ? 22.972 94.038 68.740 0.50 25.86 ? 555 VAL A CB 1 ATOM 1398 C CB B VAL A 1 177 ? 22.985 93.875 68.459 0.50 23.66 ? 555 VAL A CB 1 ATOM 1399 C CG1 A VAL A 1 177 ? 23.852 95.284 68.739 0.50 24.72 ? 555 VAL A CG1 1 ATOM 1400 C CG1 B VAL A 1 177 ? 21.505 94.093 68.746 0.50 21.44 ? 555 VAL A CG1 1 ATOM 1401 C CG2 A VAL A 1 177 ? 22.722 93.577 67.322 0.50 27.69 ? 555 VAL A CG2 1 ATOM 1402 C CG2 B VAL A 1 177 ? 23.741 95.200 68.450 0.50 23.38 ? 555 VAL A CG2 1 ATOM 1403 N N . ALA A 1 178 ? 21.961 91.367 70.436 1.00 22.65 ? 556 ALA A N 1 ATOM 1404 C CA . ALA A 1 178 ? 21.146 90.158 70.486 1.00 22.30 ? 556 ALA A CA 1 ATOM 1405 C C . ALA A 1 178 ? 19.757 90.464 71.035 1.00 22.95 ? 556 ALA A C 1 ATOM 1406 O O . ALA A 1 178 ? 19.550 91.474 71.728 1.00 21.82 ? 556 ALA A O 1 ATOM 1407 C CB . ALA A 1 178 ? 21.832 89.084 71.325 1.00 18.25 ? 556 ALA A CB 1 ATOM 1408 N N . SER A 1 179 ? 18.804 89.604 70.704 1.00 20.14 ? 557 SER A N 1 ATOM 1409 C CA . SER A 1 179 ? 17.481 89.688 71.292 1.00 23.07 ? 557 SER A CA 1 ATOM 1410 C C . SER A 1 179 ? 16.994 88.292 71.672 1.00 23.01 ? 557 SER A C 1 ATOM 1411 O O . SER A 1 179 ? 17.270 87.324 70.962 1.00 26.72 ? 557 SER A O 1 ATOM 1412 C CB . SER A 1 179 ? 16.501 90.361 70.330 1.00 24.87 ? 557 SER A CB 1 ATOM 1413 O OG . SER A 1 179 ? 15.240 90.481 70.965 1.00 31.44 ? 557 SER A OG 1 ATOM 1414 N N . GLY A 1 180 ? 16.280 88.189 72.790 1.00 21.68 ? 558 GLY A N 1 ATOM 1415 C CA . GLY A 1 180 ? 15.791 86.901 73.278 1.00 22.25 ? 558 GLY A CA 1 ATOM 1416 C C . GLY A 1 180 ? 14.278 86.775 73.163 1.00 24.26 ? 558 GLY A C 1 ATOM 1417 O O . GLY A 1 180 ? 13.548 87.778 73.221 1.00 22.63 ? 558 GLY A O 1 ATOM 1418 N N . SER A 1 181 ? 13.818 85.539 72.988 1.00 22.98 ? 559 SER A N 1 ATOM 1419 C CA . SER A 1 181 ? 12.393 85.213 72.890 1.00 23.43 ? 559 SER A CA 1 ATOM 1420 C C . SER A 1 181 ? 12.077 84.133 73.909 1.00 22.99 ? 559 SER A C 1 ATOM 1421 O O . SER A 1 181 ? 12.972 83.384 74.320 1.00 21.65 ? 559 SER A O 1 ATOM 1422 C CB . SER A 1 181 ? 12.044 84.692 71.489 1.00 20.84 ? 559 SER A CB 1 ATOM 1423 O OG . SER A 1 181 ? 12.105 85.719 70.505 1.00 21.24 ? 559 SER A OG 1 ATOM 1424 N N . THR A 1 182 ? 10.812 84.051 74.319 1.00 22.95 ? 560 THR A N 1 ATOM 1425 C CA . THR A 1 182 ? 10.379 82.979 75.214 1.00 24.58 ? 560 THR A CA 1 ATOM 1426 C C . THR A 1 182 ? 9.147 82.268 74.657 1.00 25.66 ? 560 THR A C 1 ATOM 1427 O O . THR A 1 182 ? 8.373 82.856 73.899 1.00 25.99 ? 560 THR A O 1 ATOM 1428 C CB . THR A 1 182 ? 10.052 83.483 76.633 1.00 24.67 ? 560 THR A CB 1 ATOM 1429 O OG1 . THR A 1 182 ? 8.884 84.316 76.587 1.00 26.21 ? 560 THR A OG1 1 ATOM 1430 C CG2 . THR A 1 182 ? 11.237 84.250 77.227 1.00 25.83 ? 560 THR A CG2 1 ATOM 1431 N N . VAL A 1 183 ? 9.000 80.998 75.034 1.00 24.42 ? 561 VAL A N 1 ATOM 1432 C CA . VAL A 1 183 ? 7.846 80.164 74.695 1.00 23.10 ? 561 VAL A CA 1 ATOM 1433 C C . VAL A 1 183 ? 7.384 79.541 76.006 1.00 22.43 ? 561 VAL A C 1 ATOM 1434 O O . VAL A 1 183 ? 8.200 79.086 76.800 1.00 21.44 ? 561 VAL A O 1 ATOM 1435 C CB . VAL A 1 183 ? 8.207 79.059 73.666 1.00 23.53 ? 561 VAL A CB 1 ATOM 1436 C CG1 . VAL A 1 183 ? 7.023 78.120 73.400 1.00 21.68 ? 561 VAL A CG1 1 ATOM 1437 C CG2 . VAL A 1 183 ? 8.679 79.681 72.351 1.00 20.88 ? 561 VAL A CG2 1 ATOM 1438 N N . ALA A 1 184 ? 6.075 79.561 76.240 1.00 22.58 ? 562 ALA A N 1 ATOM 1439 C CA . ALA A 1 184 ? 5.498 79.048 77.460 1.00 25.80 ? 562 ALA A CA 1 ATOM 1440 C C . ALA A 1 184 ? 5.880 77.573 77.684 1.00 25.15 ? 562 ALA A C 1 ATOM 1441 O O . ALA A 1 184 ? 5.900 76.776 76.737 1.00 23.13 ? 562 ALA A O 1 ATOM 1442 C CB . ALA A 1 184 ? 3.969 79.226 77.428 1.00 29.98 ? 562 ALA A CB 1 ATOM 1443 N N . MET A 1 185 ? 6.204 77.222 78.927 1.00 22.69 ? 563 MET A N 1 ATOM 1444 C CA . MET A 1 185 ? 6.429 75.818 79.282 1.00 25.60 ? 563 MET A CA 1 ATOM 1445 C C . MET A 1 185 ? 5.209 74.948 78.952 1.00 26.81 ? 563 MET A C 1 ATOM 1446 O O . MET A 1 185 ? 4.059 75.365 79.094 1.00 27.06 ? 563 MET A O 1 ATOM 1447 C CB . MET A 1 185 ? 6.793 75.679 80.761 1.00 26.89 ? 563 MET A CB 1 ATOM 1448 C CG . MET A 1 185 ? 7.214 74.278 81.206 1.00 25.94 ? 563 MET A CG 1 ATOM 1449 S SD . MET A 1 185 ? 8.355 73.394 80.099 1.00 25.46 ? 563 MET A SD 1 ATOM 1450 C CE . MET A 1 185 ? 9.697 74.581 79.940 1.00 21.78 ? 563 MET A CE 1 ATOM 1451 N N . THR A 1 186 ? 5.483 73.737 78.494 1.00 28.14 ? 564 THR A N 1 ATOM 1452 C CA . THR A 1 186 ? 4.446 72.787 78.140 1.00 30.62 ? 564 THR A CA 1 ATOM 1453 C C . THR A 1 186 ? 4.134 71.897 79.358 1.00 33.23 ? 564 THR A C 1 ATOM 1454 O O . THR A 1 186 ? 4.905 71.864 80.329 1.00 30.74 ? 564 THR A O 1 ATOM 1455 C CB . THR A 1 186 ? 4.922 71.928 76.957 1.00 27.23 ? 564 THR A CB 1 ATOM 1456 O OG1 . THR A 1 186 ? 6.269 71.504 77.208 1.00 21.36 ? 564 THR A OG1 1 ATOM 1457 C CG2 . THR A 1 186 ? 4.902 72.740 75.677 1.00 23.12 ? 564 THR A CG2 1 ATOM 1458 N N . GLU A 1 187 ? 3.006 71.185 79.310 1.00 36.66 ? 565 GLU A N 1 ATOM 1459 C CA . GLU A 1 187 ? 2.575 70.335 80.425 1.00 40.21 ? 565 GLU A CA 1 ATOM 1460 C C . GLU A 1 187 ? 3.685 69.371 80.834 1.00 35.23 ? 565 GLU A C 1 ATOM 1461 O O . GLU A 1 187 ? 4.016 69.259 82.019 1.00 37.33 ? 565 GLU A O 1 ATOM 1462 C CB . GLU A 1 187 ? 1.304 69.558 80.062 1.00 53.99 ? 565 GLU A CB 1 ATOM 1463 C CG . GLU A 1 187 ? 0.228 69.557 81.151 1.00 75.15 ? 565 GLU A CG 1 ATOM 1464 C CD . GLU A 1 187 ? 0.740 69.140 82.526 1.00 80.35 ? 565 GLU A CD 1 ATOM 1465 O OE1 . GLU A 1 187 ? 1.330 68.045 82.642 1.00 95.44 ? 565 GLU A OE1 1 ATOM 1466 O OE2 . GLU A 1 187 ? 0.544 69.905 83.498 1.00 87.38 ? 565 GLU A OE2 1 ATOM 1467 N N . GLN A 1 188 ? 4.257 68.688 79.845 1.00 31.83 ? 566 GLN A N 1 ATOM 1468 C CA . GLN A 1 188 ? 5.470 67.899 80.038 1.00 33.79 ? 566 GLN A CA 1 ATOM 1469 C C . GLN A 1 188 ? 6.637 68.559 79.304 1.00 28.43 ? 566 GLN A C 1 ATOM 1470 O O . GLN A 1 188 ? 6.479 69.069 78.182 1.00 25.97 ? 566 GLN A O 1 ATOM 1471 C CB . GLN A 1 188 ? 5.267 66.473 79.530 1.00 35.11 ? 566 GLN A CB 1 ATOM 1472 C CG . GLN A 1 188 ? 4.150 65.719 80.250 1.00 39.44 ? 566 GLN A CG 1 ATOM 1473 C CD . GLN A 1 188 ? 3.592 64.585 79.417 1.00 42.40 ? 566 GLN A CD 1 ATOM 1474 O OE1 . GLN A 1 188 ? 3.869 63.420 79.680 1.00 56.28 ? 566 GLN A OE1 1 ATOM 1475 N NE2 . GLN A 1 188 ? 2.819 64.922 78.392 1.00 51.34 ? 566 GLN A NE2 1 ATOM 1476 N N . LEU A 1 189 ? 7.810 68.542 79.934 1.00 25.48 ? 567 LEU A N 1 ATOM 1477 C CA . LEU A 1 189 ? 8.994 69.115 79.308 1.00 26.42 ? 567 LEU A CA 1 ATOM 1478 C C . LEU A 1 189 ? 9.272 68.438 77.969 1.00 25.27 ? 567 LEU A C 1 ATOM 1479 O O . LEU A 1 189 ? 9.147 67.219 77.837 1.00 26.83 ? 567 LEU A O 1 ATOM 1480 C CB . LEU A 1 189 ? 10.213 68.984 80.213 1.00 26.49 ? 567 LEU A CB 1 ATOM 1481 C CG . LEU A 1 189 ? 11.517 69.571 79.654 1.00 24.55 ? 567 LEU A CG 1 ATOM 1482 C CD1 . LEU A 1 189 ? 11.395 71.079 79.437 1.00 21.79 ? 567 LEU A CD1 1 ATOM 1483 C CD2 . LEU A 1 189 ? 12.672 69.236 80.592 1.00 21.84 ? 567 LEU A CD2 1 ATOM 1484 N N . GLN A 1 190 ? 9.626 69.243 76.977 1.00 21.22 ? 568 GLN A N 1 ATOM 1485 C CA . GLN A 1 190 ? 10.012 68.734 75.674 1.00 23.79 ? 568 GLN A CA 1 ATOM 1486 C C . GLN A 1 190 ? 11.491 69.075 75.495 1.00 22.33 ? 568 GLN A C 1 ATOM 1487 O O . GLN A 1 190 ? 11.932 70.125 75.953 1.00 20.59 ? 568 GLN A O 1 ATOM 1488 C CB . GLN A 1 190 ? 9.135 69.352 74.581 1.00 22.67 ? 568 GLN A CB 1 ATOM 1489 C CG . GLN A 1 190 ? 7.703 68.836 74.628 1.00 25.42 ? 568 GLN A CG 1 ATOM 1490 C CD . GLN A 1 190 ? 6.709 69.715 73.883 1.00 25.49 ? 568 GLN A CD 1 ATOM 1491 O OE1 . GLN A 1 190 ? 7.041 70.793 73.393 1.00 24.93 ? 568 GLN A OE1 1 ATOM 1492 N NE2 . GLN A 1 190 ? 5.475 69.256 73.806 1.00 28.19 ? 568 GLN A NE2 1 ATOM 1493 N N . MET A 1 191 ? 12.241 68.169 74.869 1.00 20.57 ? 569 MET A N 1 ATOM 1494 C CA . MET A 1 191 ? 13.693 68.275 74.747 1.00 21.51 ? 569 MET A CA 1 ATOM 1495 C C . MET A 1 191 ? 14.164 67.969 73.325 1.00 23.42 ? 569 MET A C 1 ATOM 1496 O O . MET A 1 191 ? 13.453 67.312 72.540 1.00 21.13 ? 569 MET A O 1 ATOM 1497 C CB . MET A 1 191 ? 14.386 67.285 75.704 1.00 23.28 ? 569 MET A CB 1 ATOM 1498 C CG . MET A 1 191 ? 14.174 67.562 77.190 1.00 24.67 ? 569 MET A CG 1 ATOM 1499 S SD . MET A 1 191 ? 15.061 66.455 78.321 1.00 26.41 ? 569 MET A SD 1 ATOM 1500 C CE . MET A 1 191 ? 16.757 66.983 78.042 1.00 25.34 ? 569 MET A CE 1 ATOM 1501 N N . GLY A 1 192 ? 15.370 68.439 73.008 1.00 20.47 ? 570 GLY A N 1 ATOM 1502 C CA . GLY A 1 192 ? 16.066 68.020 71.803 1.00 20.31 ? 570 GLY A CA 1 ATOM 1503 C C . GLY A 1 192 ? 17.369 67.331 72.169 1.00 21.47 ? 570 GLY A C 1 ATOM 1504 O O . GLY A 1 192 ? 18.019 67.717 73.142 1.00 22.28 ? 570 GLY A O 1 ATOM 1505 N N . PHE A 1 193 ? 17.735 66.303 71.404 1.00 20.01 ? 571 PHE A N 1 ATOM 1506 C CA . PHE A 1 193 ? 19.023 65.633 71.538 1.00 21.77 ? 571 PHE A CA 1 ATOM 1507 C C . PHE A 1 193 ? 19.677 65.667 70.169 1.00 23.74 ? 571 PHE A C 1 ATOM 1508 O O . PHE A 1 193 ? 19.065 65.247 69.170 1.00 27.67 ? 571 PHE A O 1 ATOM 1509 C CB . PHE A 1 193 ? 18.892 64.149 71.937 1.00 22.12 ? 571 PHE A CB 1 ATOM 1510 C CG . PHE A 1 193 ? 17.990 63.886 73.104 1.00 26.30 ? 571 PHE A CG 1 ATOM 1511 C CD1 . PHE A 1 193 ? 18.098 64.612 74.276 1.00 30.69 ? 571 PHE A CD1 1 ATOM 1512 C CD2 . PHE A 1 193 ? 17.054 62.863 73.041 1.00 32.54 ? 571 PHE A CD2 1 ATOM 1513 C CE1 . PHE A 1 193 ? 17.265 64.351 75.355 1.00 32.37 ? 571 PHE A CE1 1 ATOM 1514 C CE2 . PHE A 1 193 ? 16.216 62.601 74.115 1.00 36.48 ? 571 PHE A CE2 1 ATOM 1515 C CZ . PHE A 1 193 ? 16.319 63.356 75.271 1.00 33.17 ? 571 PHE A CZ 1 ATOM 1516 N N . GLY A 1 194 ? 20.915 66.146 70.121 1.00 22.27 ? 572 GLY A N 1 ATOM 1517 C CA . GLY A 1 194 ? 21.696 66.146 68.893 1.00 21.33 ? 572 GLY A CA 1 ATOM 1518 C C . GLY A 1 194 ? 22.824 65.154 69.049 1.00 23.44 ? 572 GLY A C 1 ATOM 1519 O O . GLY A 1 194 ? 23.621 65.263 69.971 1.00 25.87 ? 572 GLY A O 1 ATOM 1520 N N . ILE A 1 195 ? 22.888 64.170 68.162 1.00 22.41 ? 573 ILE A N 1 ATOM 1521 C CA . ILE A 1 195 ? 23.959 63.178 68.203 1.00 22.80 ? 573 ILE A CA 1 ATOM 1522 C C . ILE A 1 195 ? 24.849 63.370 66.987 1.00 22.85 ? 573 ILE A C 1 ATOM 1523 O O . ILE A 1 195 ? 24.352 63.527 65.870 1.00 25.29 ? 573 ILE A O 1 ATOM 1524 C CB . ILE A 1 195 ? 23.410 61.731 68.229 1.00 23.20 ? 573 ILE A CB 1 ATOM 1525 C CG1 . ILE A 1 195 ? 22.467 61.531 69.421 1.00 24.71 ? 573 ILE A CG1 1 ATOM 1526 C CG2 . ILE A 1 195 ? 24.557 60.715 68.284 1.00 25.40 ? 573 ILE A CG2 1 ATOM 1527 C CD1 . ILE A 1 195 ? 21.834 60.145 69.495 1.00 30.60 ? 573 ILE A CD1 1 ATOM 1528 N N . THR A 1 196 ? 26.159 63.391 67.215 1.00 23.89 ? 574 THR A N 1 ATOM 1529 C CA . THR A 1 196 ? 27.147 63.463 66.131 1.00 23.15 ? 574 THR A CA 1 ATOM 1530 C C . THR A 1 196 ? 28.115 62.313 66.336 1.00 23.21 ? 574 THR A C 1 ATOM 1531 O O . THR A 1 196 ? 28.592 62.094 67.449 1.00 23.99 ? 574 THR A O 1 ATOM 1532 C CB . THR A 1 196 ? 27.926 64.803 66.149 1.00 24.62 ? 574 THR A CB 1 ATOM 1533 O OG1 . THR A 1 196 ? 26.996 65.895 66.112 1.00 25.70 ? 574 THR A OG1 1 ATOM 1534 C CG2 . THR A 1 196 ? 28.878 64.912 64.941 1.00 22.45 ? 574 THR A CG2 1 ATOM 1535 N N . VAL A 1 197 ? 28.388 61.559 65.281 1.00 23.54 ? 575 VAL A N 1 ATOM 1536 C CA . VAL A 1 197 ? 29.360 60.471 65.387 1.00 24.54 ? 575 VAL A CA 1 ATOM 1537 C C . VAL A 1 197 ? 30.550 60.695 64.469 1.00 23.91 ? 575 VAL A C 1 ATOM 1538 O O . VAL A 1 197 ? 30.440 61.370 63.445 1.00 22.82 ? 575 VAL A O 1 ATOM 1539 C CB . VAL A 1 197 ? 28.740 59.076 65.118 1.00 25.89 ? 575 VAL A CB 1 ATOM 1540 C CG1 . VAL A 1 197 ? 27.734 58.716 66.207 1.00 23.14 ? 575 VAL A CG1 1 ATOM 1541 C CG2 . VAL A 1 197 ? 28.129 58.980 63.719 1.00 25.31 ? 575 VAL A CG2 1 ATOM 1542 N N . GLN A 1 198 ? 31.689 60.134 64.862 1.00 23.03 ? 576 GLN A N 1 ATOM 1543 C CA . GLN A 1 198 ? 32.878 60.094 64.028 1.00 25.26 ? 576 GLN A CA 1 ATOM 1544 C C . GLN A 1 198 ? 33.371 58.660 63.936 1.00 22.62 ? 576 GLN A C 1 ATOM 1545 O O . GLN A 1 198 ? 33.373 57.924 64.928 1.00 25.30 ? 576 GLN A O 1 ATOM 1546 C CB . GLN A 1 198 ? 33.982 60.990 64.596 1.00 27.24 ? 576 GLN A CB 1 ATOM 1547 C CG . GLN A 1 198 ? 33.688 62.478 64.415 1.00 38.68 ? 576 GLN A CG 1 ATOM 1548 C CD . GLN A 1 198 ? 34.700 63.380 65.099 1.00 45.17 ? 576 GLN A CD 1 ATOM 1549 O OE1 . GLN A 1 198 ? 34.572 63.701 66.284 1.00 53.65 ? 576 GLN A OE1 1 ATOM 1550 N NE2 . GLN A 1 198 ? 35.699 63.806 64.349 1.00 49.47 ? 576 GLN A NE2 1 ATOM 1551 N N . TYR A 1 199 ? 33.776 58.267 62.737 1.00 21.18 ? 577 TYR A N 1 ATOM 1552 C CA . TYR A 1 199 ? 34.416 56.979 62.534 1.00 25.87 ? 577 TYR A CA 1 ATOM 1553 C C . TYR A 1 199 ? 35.918 57.186 62.364 1.00 32.40 ? 577 TYR A C 1 ATOM 1554 O O . TYR A 1 199 ? 36.341 58.154 61.739 1.00 34.19 ? 577 TYR A O 1 ATOM 1555 C CB . TYR A 1 199 ? 33.865 56.317 61.269 1.00 26.13 ? 577 TYR A CB 1 ATOM 1556 C CG . TYR A 1 199 ? 32.412 55.887 61.319 1.00 25.91 ? 577 TYR A CG 1 ATOM 1557 C CD1 . TYR A 1 199 ? 32.056 54.622 61.795 1.00 26.71 ? 577 TYR A CD1 1 ATOM 1558 C CD2 . TYR A 1 199 ? 31.392 56.722 60.858 1.00 26.18 ? 577 TYR A CD2 1 ATOM 1559 C CE1 . TYR A 1 199 ? 30.735 54.209 61.810 1.00 25.71 ? 577 TYR A CE1 1 ATOM 1560 C CE2 . TYR A 1 199 ? 30.062 56.310 60.875 1.00 23.53 ? 577 TYR A CE2 1 ATOM 1561 C CZ . TYR A 1 199 ? 29.747 55.056 61.351 1.00 25.57 ? 577 TYR A CZ 1 ATOM 1562 O OH . TYR A 1 199 ? 28.438 54.630 61.361 1.00 30.19 ? 577 TYR A OH 1 ATOM 1563 N N . GLY A 1 200 ? 36.720 56.274 62.906 1.00 40.32 ? 578 GLY A N 1 ATOM 1564 C CA . GLY A 1 200 ? 38.162 56.279 62.667 1.00 49.59 ? 578 GLY A CA 1 ATOM 1565 C C . GLY A 1 200 ? 38.632 55.009 61.973 1.00 68.30 ? 578 GLY A C 1 ATOM 1566 O O . GLY A 1 200 ? 37.855 54.345 61.254 1.00 58.59 ? 578 GLY A O 1 ATOM 1567 N N . THR A 1 201 ? 39.905 54.669 62.189 1.00 71.08 ? 579 THR A N 1 ATOM 1568 C CA . THR A 1 201 ? 40.518 53.476 61.594 1.00 75.84 ? 579 THR A CA 1 ATOM 1569 C C . THR A 1 201 ? 40.477 52.277 62.551 1.00 74.68 ? 579 THR A C 1 ATOM 1570 O O . THR A 1 201 ? 39.675 51.354 62.365 1.00 80.71 ? 579 THR A O 1 ATOM 1571 C CB . THR A 1 201 ? 41.967 53.753 61.146 1.00 78.79 ? 579 THR A CB 1 ATOM 1572 O OG1 . THR A 1 201 ? 41.985 54.895 60.283 1.00 82.78 ? 579 THR A OG1 1 ATOM 1573 C CG2 . THR A 1 201 ? 42.549 52.556 60.398 1.00 86.41 ? 579 THR A CG2 1 ATOM 1574 N N . ASP A 1 202 ? 41.346 52.302 63.563 1.00 74.53 ? 580 ASP A N 1 ATOM 1575 C CA . ASP A 1 202 ? 41.418 51.246 64.581 1.00 74.85 ? 580 ASP A CA 1 ATOM 1576 C C . ASP A 1 202 ? 41.041 51.773 65.975 1.00 64.83 ? 580 ASP A C 1 ATOM 1577 O O . ASP A 1 202 ? 41.398 51.193 67.006 1.00 68.32 ? 580 ASP A O 1 ATOM 1578 C CB . ASP A 1 202 ? 42.804 50.565 64.583 1.00 81.75 ? 580 ASP A CB 1 ATOM 1579 C CG . ASP A 1 202 ? 43.958 51.550 64.381 1.00 85.44 ? 580 ASP A CG 1 ATOM 1580 O OD1 . ASP A 1 202 ? 44.103 52.493 65.191 1.00 83.56 ? 580 ASP A OD1 1 ATOM 1581 O OD2 . ASP A 1 202 ? 44.730 51.366 63.412 1.00 84.57 ? 580 ASP A OD2 1 ATOM 1582 N N . THR A 1 203 ? 40.301 52.875 65.989 1.00 61.81 ? 581 THR A N 1 ATOM 1583 C CA . THR A 1 203 ? 39.913 53.526 67.229 1.00 50.57 ? 581 THR A CA 1 ATOM 1584 C C . THR A 1 203 ? 38.389 53.521 67.412 1.00 44.36 ? 581 THR A C 1 ATOM 1585 O O . THR A 1 203 ? 37.863 54.270 68.241 1.00 37.99 ? 581 THR A O 1 ATOM 1586 C CB . THR A 1 203 ? 40.472 54.969 67.312 1.00 54.83 ? 581 THR A CB 1 ATOM 1587 O OG1 . THR A 1 203 ? 40.246 55.651 66.069 1.00 56.18 ? 581 THR A OG1 1 ATOM 1588 C CG2 . THR A 1 203 ? 41.972 54.956 67.612 1.00 55.56 ? 581 THR A CG2 1 ATOM 1589 N N . ASN A 1 204 ? 37.685 52.664 66.666 1.00 36.99 ? 582 ASN A N 1 ATOM 1590 C CA . ASN A 1 204 ? 36.218 52.589 66.787 1.00 35.79 ? 582 ASN A CA 1 ATOM 1591 C C . ASN A 1 204 ? 35.768 51.836 68.034 1.00 34.49 ? 582 ASN A C 1 ATOM 1592 O O . ASN A 1 204 ? 35.287 50.696 67.947 1.00 35.83 ? 582 ASN A O 1 ATOM 1593 C CB . ASN A 1 204 ? 35.563 52.001 65.531 1.00 36.50 ? 582 ASN A CB 1 ATOM 1594 C CG . ASN A 1 204 ? 35.782 52.858 64.297 1.00 36.26 ? 582 ASN A CG 1 ATOM 1595 O OD1 . ASN A 1 204 ? 35.973 52.339 63.200 1.00 41.25 ? 582 ASN A OD1 1 ATOM 1596 N ND2 . ASN A 1 204 ? 35.755 54.164 64.468 1.00 32.09 ? 582 ASN A ND2 1 ATOM 1597 N N . SER A 1 205 ? 35.905 52.497 69.184 1.00 30.30 ? 583 SER A N 1 ATOM 1598 C CA . SER A 1 205 ? 35.664 51.874 70.486 1.00 37.83 ? 583 SER A CA 1 ATOM 1599 C C . SER A 1 205 ? 34.397 52.340 71.233 1.00 34.01 ? 583 SER A C 1 ATOM 1600 O O . SER A 1 205 ? 34.223 52.019 72.401 1.00 37.07 ? 583 SER A O 1 ATOM 1601 C CB . SER A 1 205 ? 36.889 52.063 71.370 1.00 44.74 ? 583 SER A CB 1 ATOM 1602 O OG . SER A 1 205 ? 38.026 51.512 70.732 1.00 58.39 ? 583 SER A OG 1 ATOM 1603 N N . VAL A 1 206 ? 33.529 53.100 70.574 1.00 30.70 ? 584 VAL A N 1 ATOM 1604 C CA . VAL A 1 206 ? 32.187 53.372 71.122 1.00 29.36 ? 584 VAL A CA 1 ATOM 1605 C C . VAL A 1 206 ? 31.240 52.418 70.398 1.00 29.16 ? 584 VAL A C 1 ATOM 1606 O O . VAL A 1 206 ? 30.885 52.651 69.241 1.00 29.29 ? 584 VAL A O 1 ATOM 1607 C CB . VAL A 1 206 ? 31.767 54.850 70.940 1.00 30.36 ? 584 VAL A CB 1 ATOM 1608 C CG1 . VAL A 1 206 ? 30.381 55.114 71.516 1.00 26.57 ? 584 VAL A CG1 1 ATOM 1609 C CG2 . VAL A 1 206 ? 32.782 55.781 71.597 1.00 31.31 ? 584 VAL A CG2 1 ATOM 1610 N N . CYS A 1 207 ? 30.855 51.337 71.077 1.00 28.37 ? 585 CYS A N 1 ATOM 1611 C CA . CYS A 1 207 ? 30.150 50.219 70.443 1.00 30.28 ? 585 CYS A CA 1 ATOM 1612 C C . CYS A 1 207 ? 28.845 49.899 71.172 1.00 28.97 ? 585 CYS A C 1 ATOM 1613 O O . CYS A 1 207 ? 28.733 50.122 72.373 1.00 30.51 ? 585 CYS A O 1 ATOM 1614 C CB . CYS A 1 207 ? 31.047 48.967 70.428 1.00 33.83 ? 585 CYS A CB 1 ATOM 1615 S SG . CYS A 1 207 ? 32.419 49.030 69.256 1.00 40.20 ? 585 CYS A SG 1 ATOM 1616 N N . PRO A 1 208 ? 27.844 49.382 70.442 1.00 30.30 ? 586 PRO A N 1 ATOM 1617 C CA . PRO A 1 208 ? 26.608 48.981 71.100 1.00 33.99 ? 586 PRO A CA 1 ATOM 1618 C C . PRO A 1 208 ? 26.799 47.768 72.022 1.00 41.56 ? 586 PRO A C 1 ATOM 1619 O O . PRO A 1 208 ? 27.653 46.912 71.756 1.00 38.96 ? 586 PRO A O 1 ATOM 1620 C CB . PRO A 1 208 ? 25.685 48.626 69.927 1.00 36.09 ? 586 PRO A CB 1 ATOM 1621 C CG . PRO A 1 208 ? 26.601 48.313 68.795 1.00 34.35 ? 586 PRO A CG 1 ATOM 1622 C CD . PRO A 1 208 ? 27.771 49.223 68.977 1.00 31.70 ? 586 PRO A CD 1 ATOM 1623 N N . LYS A 1 209 ? 26.025 47.723 73.105 1.00 46.56 ? 587 LYS A N 1 ATOM 1624 C CA . LYS A 1 209 ? 25.940 46.541 73.961 1.00 56.16 ? 587 LYS A CA 1 ATOM 1625 C C . LYS A 1 209 ? 25.443 45.380 73.120 1.00 64.53 ? 587 LYS A C 1 ATOM 1626 O O . LYS A 1 209 ? 24.397 45.479 72.482 1.00 76.10 ? 587 LYS A O 1 ATOM 1627 C CB . LYS A 1 209 ? 24.970 46.788 75.114 1.00 54.37 ? 587 LYS A CB 1 ATOM 1628 C CG . LYS A 1 209 ? 25.604 47.395 76.348 1.00 50.88 ? 587 LYS A CG 1 ATOM 1629 C CD . LYS A 1 209 ? 26.150 46.299 77.240 1.00 59.29 ? 587 LYS A CD 1 ATOM 1630 C CE . LYS A 1 209 ? 26.509 46.846 78.605 1.00 43.91 ? 587 LYS A CE 1 ATOM 1631 N NZ . LYS A 1 209 ? 27.448 45.928 79.274 1.00 52.39 ? 587 LYS A NZ 1 ATOM 1632 N N . LEU A 1 210 ? 26.203 44.293 73.094 1.00 79.31 ? 588 LEU A N 1 ATOM 1633 C CA . LEU A 1 210 ? 25.862 43.166 72.229 1.00 87.44 ? 588 LEU A CA 1 ATOM 1634 C C . LEU A 1 210 ? 25.014 42.124 72.960 1.00 79.78 ? 588 LEU A C 1 ATOM 1635 O O . LEU A 1 210 ? 24.145 41.488 72.353 1.00 74.52 ? 588 LEU A O 1 ATOM 1636 C CB . LEU A 1 210 ? 27.127 42.540 71.626 1.00 92.85 ? 588 LEU A CB 1 ATOM 1637 C CG . LEU A 1 210 ? 27.023 42.011 70.190 1.00 95.31 ? 588 LEU A CG 1 ATOM 1638 C CD1 . LEU A 1 210 ? 26.867 43.140 69.177 1.00 83.33 ? 588 LEU A CD1 1 ATOM 1639 C CD2 . LEU A 1 210 ? 28.230 41.152 69.845 1.00 111.53 ? 588 LEU A CD2 1 ATOM 1640 N N . GLU B 1 1 ? 55.893 71.800 112.778 1.00 108.31 ? 379 GLU B N 1 ATOM 1641 C CA . GLU B 1 1 ? 54.557 71.156 112.603 1.00 108.12 ? 379 GLU B CA 1 ATOM 1642 C C . GLU B 1 1 ? 54.479 70.340 111.309 1.00 103.80 ? 379 GLU B C 1 ATOM 1643 O O . GLU B 1 1 ? 55.234 70.584 110.364 1.00 109.59 ? 379 GLU B O 1 ATOM 1644 C CB . GLU B 1 1 ? 53.440 72.206 112.648 1.00 107.90 ? 379 GLU B CB 1 ATOM 1645 C CG . GLU B 1 1 ? 53.506 73.259 111.549 1.00 111.72 ? 379 GLU B CG 1 ATOM 1646 C CD . GLU B 1 1 ? 52.238 74.086 111.453 1.00 111.40 ? 379 GLU B CD 1 ATOM 1647 O OE1 . GLU B 1 1 ? 51.680 74.460 112.508 1.00 119.02 ? 379 GLU B OE1 1 ATOM 1648 O OE2 . GLU B 1 1 ? 51.799 74.366 110.318 1.00 121.19 ? 379 GLU B OE2 1 ATOM 1649 N N . GLY B 1 2 ? 53.558 69.379 111.275 1.00 91.09 ? 380 GLY B N 1 ATOM 1650 C CA . GLY B 1 2 ? 53.396 68.497 110.121 1.00 81.67 ? 380 GLY B CA 1 ATOM 1651 C C . GLY B 1 2 ? 52.372 68.975 109.105 1.00 75.89 ? 380 GLY B C 1 ATOM 1652 O O . GLY B 1 2 ? 51.850 70.091 109.200 1.00 75.81 ? 380 GLY B O 1 ATOM 1653 N N . VAL B 1 3 ? 52.099 68.117 108.125 1.00 68.15 ? 381 VAL B N 1 ATOM 1654 C CA . VAL B 1 3 ? 51.093 68.366 107.095 1.00 63.10 ? 381 VAL B CA 1 ATOM 1655 C C . VAL B 1 3 ? 49.716 68.072 107.674 1.00 52.42 ? 381 VAL B C 1 ATOM 1656 O O . VAL B 1 3 ? 49.584 67.198 108.528 1.00 56.83 ? 381 VAL B O 1 ATOM 1657 C CB . VAL B 1 3 ? 51.316 67.437 105.882 1.00 64.46 ? 381 VAL B CB 1 ATOM 1658 C CG1 . VAL B 1 3 ? 50.498 67.900 104.685 1.00 67.16 ? 381 VAL B CG1 1 ATOM 1659 C CG2 . VAL B 1 3 ? 52.797 67.369 105.524 1.00 73.49 ? 381 VAL B CG2 1 ATOM 1660 N N . GLU B 1 4 ? 48.695 68.800 107.231 1.00 45.54 ? 382 GLU B N 1 ATOM 1661 C CA . GLU B 1 4 ? 47.323 68.449 107.594 1.00 51.08 ? 382 GLU B CA 1 ATOM 1662 C C . GLU B 1 4 ? 46.789 67.331 106.683 1.00 52.55 ? 382 GLU B C 1 ATOM 1663 O O . GLU B 1 4 ? 47.109 67.296 105.488 1.00 55.41 ? 382 GLU B O 1 ATOM 1664 C CB . GLU B 1 4 ? 46.413 69.679 107.540 1.00 59.46 ? 382 GLU B CB 1 ATOM 1665 C CG . GLU B 1 4 ? 45.076 69.493 108.250 1.00 69.48 ? 382 GLU B CG 1 ATOM 1666 C CD . GLU B 1 4 ? 44.230 70.759 108.305 1.00 83.20 ? 382 GLU B CD 1 ATOM 1667 O OE1 . GLU B 1 4 ? 43.082 70.677 108.801 1.00 80.72 ? 382 GLU B OE1 1 ATOM 1668 O OE2 . GLU B 1 4 ? 44.702 71.831 107.858 1.00 83.12 ? 382 GLU B OE2 1 ATOM 1669 N N . CYS B 1 5 ? 45.995 66.416 107.251 1.00 42.28 ? 383 CYS B N 1 ATOM 1670 C CA . CYS B 1 5 ? 45.341 65.362 106.465 1.00 49.11 ? 383 CYS B CA 1 ATOM 1671 C C . CYS B 1 5 ? 44.299 65.976 105.539 1.00 46.82 ? 383 CYS B C 1 ATOM 1672 O O . CYS B 1 5 ? 43.457 66.771 105.971 1.00 47.36 ? 383 CYS B O 1 ATOM 1673 C CB . CYS B 1 5 ? 44.674 64.294 107.355 1.00 54.35 ? 383 CYS B CB 1 ATOM 1674 S SG . CYS B 1 5 ? 45.714 63.528 108.629 1.00 53.97 ? 383 CYS B SG 1 ATOM 1675 N N . ASP B 1 6 ? 44.357 65.592 104.268 1.00 45.22 ? 384 ASP B N 1 ATOM 1676 C CA . ASP B 1 6 ? 43.539 66.212 103.234 1.00 51.68 ? 384 ASP B CA 1 ATOM 1677 C C . ASP B 1 6 ? 42.240 65.433 102.957 1.00 47.72 ? 384 ASP B C 1 ATOM 1678 O O . ASP B 1 6 ? 42.226 64.499 102.152 1.00 52.52 ? 384 ASP B O 1 ATOM 1679 C CB . ASP B 1 6 ? 44.377 66.374 101.959 1.00 53.55 ? 384 ASP B CB 1 ATOM 1680 C CG . ASP B 1 6 ? 43.653 67.136 100.866 1.00 52.26 ? 384 ASP B CG 1 ATOM 1681 O OD1 . ASP B 1 6 ? 42.741 67.935 101.179 1.00 51.26 ? 384 ASP B OD1 1 ATOM 1682 O OD2 . ASP B 1 6 ? 44.013 66.938 99.689 1.00 56.39 ? 384 ASP B OD2 1 ATOM 1683 N N . PHE B 1 7 ? 41.161 65.838 103.631 1.00 43.86 ? 385 PHE B N 1 ATOM 1684 C CA . PHE B 1 7 ? 39.826 65.263 103.430 1.00 49.85 ? 385 PHE B CA 1 ATOM 1685 C C . PHE B 1 7 ? 39.060 65.916 102.270 1.00 53.89 ? 385 PHE B C 1 ATOM 1686 O O . PHE B 1 7 ? 37.909 65.553 102.009 1.00 49.37 ? 385 PHE B O 1 ATOM 1687 C CB . PHE B 1 7 ? 38.969 65.402 104.699 1.00 52.18 ? 385 PHE B CB 1 ATOM 1688 C CG . PHE B 1 7 ? 39.507 64.671 105.904 1.00 57.49 ? 385 PHE B CG 1 ATOM 1689 C CD1 . PHE B 1 7 ? 39.955 63.358 105.814 1.00 56.87 ? 385 PHE B CD1 1 ATOM 1690 C CD2 . PHE B 1 7 ? 39.520 65.293 107.153 1.00 63.50 ? 385 PHE B CD2 1 ATOM 1691 C CE1 . PHE B 1 7 ? 40.435 62.692 106.936 1.00 58.29 ? 385 PHE B CE1 1 ATOM 1692 C CE2 . PHE B 1 7 ? 39.997 64.631 108.278 1.00 65.62 ? 385 PHE B CE2 1 ATOM 1693 C CZ . PHE B 1 7 ? 40.452 63.326 108.168 1.00 56.05 ? 385 PHE B CZ 1 ATOM 1694 N N . SER B 1 8 ? 39.685 66.870 101.577 1.00 54.65 ? 386 SER B N 1 ATOM 1695 C CA . SER B 1 8 ? 38.983 67.654 100.552 1.00 51.38 ? 386 SER B CA 1 ATOM 1696 C C . SER B 1 8 ? 38.418 66.872 99.350 1.00 49.10 ? 386 SER B C 1 ATOM 1697 O O . SER B 1 8 ? 37.376 67.265 98.837 1.00 49.69 ? 386 SER B O 1 ATOM 1698 C CB . SER B 1 8 ? 39.822 68.848 100.075 1.00 57.69 ? 386 SER B CB 1 ATOM 1699 O OG . SER B 1 8 ? 40.934 68.416 99.310 1.00 66.90 ? 386 SER B OG 1 ATOM 1700 N N . PRO B 1 9 ? 39.083 65.772 98.900 1.00 52.51 ? 387 PRO B N 1 ATOM 1701 C CA . PRO B 1 9 ? 38.494 65.022 97.773 1.00 50.75 ? 387 PRO B CA 1 ATOM 1702 C C . PRO B 1 9 ? 37.052 64.588 98.043 1.00 50.25 ? 387 PRO B C 1 ATOM 1703 O O . PRO B 1 9 ? 36.274 64.391 97.106 1.00 53.84 ? 387 PRO B O 1 ATOM 1704 C CB . PRO B 1 9 ? 39.402 63.792 97.651 1.00 49.11 ? 387 PRO B CB 1 ATOM 1705 C CG . PRO B 1 9 ? 40.714 64.244 98.190 1.00 48.94 ? 387 PRO B CG 1 ATOM 1706 C CD . PRO B 1 9 ? 40.379 65.192 99.311 1.00 52.74 ? 387 PRO B CD 1 ATOM 1707 N N . LEU B 1 10 ? 36.711 64.462 99.322 1.00 48.42 ? 388 LEU B N 1 ATOM 1708 C CA . LEU B 1 10 ? 35.372 64.094 99.751 1.00 52.58 ? 388 LEU B CA 1 ATOM 1709 C C . LEU B 1 10 ? 34.346 65.159 99.350 1.00 59.55 ? 388 LEU B C 1 ATOM 1710 O O . LEU B 1 10 ? 33.206 64.843 98.985 1.00 51.55 ? 388 LEU B O 1 ATOM 1711 C CB . LEU B 1 10 ? 35.379 63.901 101.263 1.00 57.93 ? 388 LEU B CB 1 ATOM 1712 C CG . LEU B 1 10 ? 34.293 63.039 101.891 1.00 62.75 ? 388 LEU B CG 1 ATOM 1713 C CD1 . LEU B 1 10 ? 34.828 62.385 103.153 1.00 59.78 ? 388 LEU B CD1 1 ATOM 1714 C CD2 . LEU B 1 10 ? 33.057 63.873 102.186 1.00 62.91 ? 388 LEU B CD2 1 ATOM 1715 N N . LEU B 1 11 ? 34.773 66.418 99.409 1.00 58.70 ? 389 LEU B N 1 ATOM 1716 C CA . LEU B 1 11 ? 33.900 67.563 99.162 1.00 60.92 ? 389 LEU B CA 1 ATOM 1717 C C . LEU B 1 11 ? 33.710 67.891 97.675 1.00 56.01 ? 389 LEU B C 1 ATOM 1718 O O . LEU B 1 11 ? 32.855 68.698 97.325 1.00 55.41 ? 389 LEU B O 1 ATOM 1719 C CB . LEU B 1 11 ? 34.422 68.798 99.914 1.00 62.43 ? 389 LEU B CB 1 ATOM 1720 C CG . LEU B 1 11 ? 34.717 68.654 101.414 1.00 60.51 ? 389 LEU B CG 1 ATOM 1721 C CD1 . LEU B 1 11 ? 35.523 69.844 101.922 1.00 61.23 ? 389 LEU B CD1 1 ATOM 1722 C CD2 . LEU B 1 11 ? 33.443 68.468 102.231 1.00 52.84 ? 389 LEU B CD2 1 ATOM 1723 N N . SER B 1 12 ? 34.495 67.260 96.807 1.00 51.60 ? 390 SER B N 1 ATOM 1724 C CA . SER B 1 12 ? 34.453 67.566 95.379 1.00 55.41 ? 390 SER B CA 1 ATOM 1725 C C . SER B 1 12 ? 33.817 66.469 94.526 1.00 53.35 ? 390 SER B C 1 ATOM 1726 O O . SER B 1 12 ? 34.316 65.343 94.464 1.00 59.45 ? 390 SER B O 1 ATOM 1727 C CB . SER B 1 12 ? 35.859 67.873 94.866 1.00 62.92 ? 390 SER B CB 1 ATOM 1728 O OG . SER B 1 12 ? 35.816 68.258 93.508 1.00 74.80 ? 390 SER B OG 1 ATOM 1729 N N . GLY B 1 13 ? 32.716 66.811 93.867 1.00 49.17 ? 391 GLY B N 1 ATOM 1730 C CA . GLY B 1 13 ? 32.112 65.944 92.861 1.00 47.02 ? 391 GLY B CA 1 ATOM 1731 C C . GLY B 1 13 ? 31.047 65.006 93.385 1.00 44.11 ? 391 GLY B C 1 ATOM 1732 O O . GLY B 1 13 ? 30.476 65.232 94.453 1.00 43.89 ? 391 GLY B O 1 ATOM 1733 N N . THR B 1 14 ? 30.798 63.944 92.624 1.00 41.18 ? 392 THR B N 1 ATOM 1734 C CA . THR B 1 14 ? 29.734 62.979 92.915 1.00 40.66 ? 392 THR B CA 1 ATOM 1735 C C . THR B 1 14 ? 30.290 61.762 93.656 1.00 37.53 ? 392 THR B C 1 ATOM 1736 O O . THR B 1 14 ? 31.158 61.063 93.127 1.00 41.14 ? 392 THR B O 1 ATOM 1737 C CB . THR B 1 14 ? 29.057 62.502 91.615 1.00 45.64 ? 392 THR B CB 1 ATOM 1738 O OG1 . THR B 1 14 ? 28.915 63.611 90.724 1.00 52.87 ? 392 THR B OG1 1 ATOM 1739 C CG2 . THR B 1 14 ? 27.673 61.896 91.899 1.00 39.28 ? 392 THR B CG2 1 ATOM 1740 N N . PRO B 1 15 ? 29.802 61.514 94.888 1.00 38.11 ? 393 PRO B N 1 ATOM 1741 C CA . PRO B 1 15 ? 30.242 60.332 95.638 1.00 36.06 ? 393 PRO B CA 1 ATOM 1742 C C . PRO B 1 15 ? 29.817 59.040 94.933 1.00 30.21 ? 393 PRO B C 1 ATOM 1743 O O . PRO B 1 15 ? 28.700 58.946 94.413 1.00 29.72 ? 393 PRO B O 1 ATOM 1744 C CB . PRO B 1 15 ? 29.515 60.470 96.984 1.00 36.27 ? 393 PRO B CB 1 ATOM 1745 C CG . PRO B 1 15 ? 29.170 61.932 97.088 1.00 39.79 ? 393 PRO B CG 1 ATOM 1746 C CD . PRO B 1 15 ? 28.868 62.343 95.675 1.00 33.27 ? 393 PRO B CD 1 ATOM 1747 N N . PRO B 1 16 ? 30.703 58.039 94.917 1.00 31.03 ? 394 PRO B N 1 ATOM 1748 C CA . PRO B 1 16 ? 30.340 56.768 94.281 1.00 30.20 ? 394 PRO B CA 1 ATOM 1749 C C . PRO B 1 16 ? 29.266 56.036 95.093 1.00 29.34 ? 394 PRO B C 1 ATOM 1750 O O . PRO B 1 16 ? 28.934 56.455 96.200 1.00 30.35 ? 394 PRO B O 1 ATOM 1751 C CB . PRO B 1 16 ? 31.656 55.997 94.290 1.00 28.69 ? 394 PRO B CB 1 ATOM 1752 C CG . PRO B 1 16 ? 32.363 56.524 95.508 1.00 30.87 ? 394 PRO B CG 1 ATOM 1753 C CD . PRO B 1 16 ? 32.037 57.988 95.549 1.00 30.26 ? 394 PRO B CD 1 ATOM 1754 N N . GLN B 1 17 ? 28.715 54.969 94.534 1.00 27.44 ? 395 GLN B N 1 ATOM 1755 C CA . GLN B 1 17 ? 27.777 54.127 95.270 1.00 26.73 ? 395 GLN B CA 1 ATOM 1756 C C . GLN B 1 17 ? 28.553 53.233 96.228 1.00 25.19 ? 395 GLN B C 1 ATOM 1757 O O . GLN B 1 17 ? 29.776 53.145 96.140 1.00 28.38 ? 395 GLN B O 1 ATOM 1758 C CB . GLN B 1 17 ? 26.916 53.309 94.296 1.00 26.51 ? 395 GLN B CB 1 ATOM 1759 C CG . GLN B 1 17 ? 26.089 54.191 93.351 1.00 26.83 ? 395 GLN B CG 1 ATOM 1760 C CD . GLN B 1 17 ? 25.193 55.163 94.106 1.00 28.72 ? 395 GLN B CD 1 ATOM 1761 O OE1 . GLN B 1 17 ? 24.432 54.759 94.981 1.00 30.21 ? 395 GLN B OE1 1 ATOM 1762 N NE2 . GLN B 1 17 ? 25.287 56.453 93.776 1.00 33.87 ? 395 GLN B NE2 1 ATOM 1763 N N . VAL B 1 18 ? 27.840 52.578 97.138 1.00 26.19 ? 396 VAL B N 1 ATOM 1764 C CA . VAL B 1 18 ? 28.452 51.801 98.226 1.00 25.80 ? 396 VAL B CA 1 ATOM 1765 C C . VAL B 1 18 ? 29.441 50.716 97.725 1.00 25.12 ? 396 VAL B C 1 ATOM 1766 O O . VAL B 1 18 ? 30.534 50.593 98.263 1.00 28.21 ? 396 VAL B O 1 ATOM 1767 C CB . VAL B 1 18 ? 27.353 51.253 99.189 1.00 24.30 ? 396 VAL B CB 1 ATOM 1768 C CG1 . VAL B 1 18 ? 26.388 50.326 98.451 1.00 23.17 ? 396 VAL B CG1 1 ATOM 1769 C CG2 . VAL B 1 18 ? 27.964 50.566 100.417 1.00 24.20 ? 396 VAL B CG2 1 ATOM 1770 N N . TYR B 1 19 ? 29.089 49.969 96.676 1.00 25.48 ? 397 TYR B N 1 ATOM 1771 C CA . TYR B 1 19 ? 30.006 48.946 96.118 1.00 23.68 ? 397 TYR B CA 1 ATOM 1772 C C . TYR B 1 19 ? 31.236 49.513 95.410 1.00 26.99 ? 397 TYR B C 1 ATOM 1773 O O . TYR B 1 19 ? 32.196 48.775 95.164 1.00 26.82 ? 397 TYR B O 1 ATOM 1774 C CB . TYR B 1 19 ? 29.273 47.965 95.180 1.00 24.92 ? 397 TYR B CB 1 ATOM 1775 C CG . TYR B 1 19 ? 28.451 48.632 94.087 1.00 25.20 ? 397 TYR B CG 1 ATOM 1776 C CD1 . TYR B 1 19 ? 27.159 49.079 94.348 1.00 24.50 ? 397 TYR B CD1 1 ATOM 1777 C CD2 . TYR B 1 19 ? 28.969 48.815 92.800 1.00 25.53 ? 397 TYR B CD2 1 ATOM 1778 C CE1 . TYR B 1 19 ? 26.401 49.687 93.369 1.00 28.49 ? 397 TYR B CE1 1 ATOM 1779 C CE2 . TYR B 1 19 ? 28.211 49.436 91.805 1.00 29.30 ? 397 TYR B CE2 1 ATOM 1780 C CZ . TYR B 1 19 ? 26.924 49.861 92.100 1.00 28.66 ? 397 TYR B CZ 1 ATOM 1781 O OH . TYR B 1 19 ? 26.136 50.474 91.155 1.00 30.64 ? 397 TYR B OH 1 ATOM 1782 N N . ASN B 1 20 ? 31.203 50.806 95.071 1.00 29.24 ? 398 ASN B N 1 ATOM 1783 C CA . ASN B 1 20 ? 32.356 51.491 94.480 1.00 29.47 ? 398 ASN B CA 1 ATOM 1784 C C . ASN B 1 20 ? 32.975 52.494 95.451 1.00 30.95 ? 398 ASN B C 1 ATOM 1785 O O . ASN B 1 20 ? 33.508 53.524 95.016 1.00 32.41 ? 398 ASN B O 1 ATOM 1786 C CB . ASN B 1 20 ? 31.957 52.253 93.202 1.00 37.06 ? 398 ASN B CB 1 ATOM 1787 C CG . ASN B 1 20 ? 31.684 51.342 92.028 1.00 38.72 ? 398 ASN B CG 1 ATOM 1788 O OD1 . ASN B 1 20 ? 32.283 50.274 91.892 1.00 43.02 ? 398 ASN B OD1 1 ATOM 1789 N ND2 . ASN B 1 20 ? 30.773 51.767 91.159 1.00 40.54 ? 398 ASN B ND2 1 ATOM 1790 N N . PHE B 1 21 ? 32.907 52.206 96.753 1.00 29.46 ? 399 PHE B N 1 ATOM 1791 C CA . PHE B 1 21 ? 33.356 53.157 97.777 1.00 28.77 ? 399 PHE B CA 1 ATOM 1792 C C . PHE B 1 21 ? 34.744 53.719 97.464 1.00 29.14 ? 399 PHE B C 1 ATOM 1793 O O . PHE B 1 21 ? 35.620 53.023 96.957 1.00 30.51 ? 399 PHE B O 1 ATOM 1794 C CB . PHE B 1 21 ? 33.308 52.554 99.199 1.00 27.40 ? 399 PHE B CB 1 ATOM 1795 C CG . PHE B 1 21 ? 34.193 51.341 99.393 1.00 27.11 ? 399 PHE B CG 1 ATOM 1796 C CD1 . PHE B 1 21 ? 33.721 50.060 99.094 1.00 27.61 ? 399 PHE B CD1 1 ATOM 1797 C CD2 . PHE B 1 21 ? 35.483 51.476 99.899 1.00 27.32 ? 399 PHE B CD2 1 ATOM 1798 C CE1 . PHE B 1 21 ? 34.528 48.939 99.278 1.00 29.21 ? 399 PHE B CE1 1 ATOM 1799 C CE2 . PHE B 1 21 ? 36.300 50.364 100.085 1.00 29.31 ? 399 PHE B CE2 1 ATOM 1800 C CZ . PHE B 1 21 ? 35.823 49.091 99.770 1.00 31.11 ? 399 PHE B CZ 1 ATOM 1801 N N . LYS B 1 22 ? 34.921 54.997 97.741 1.00 29.19 ? 400 LYS B N 1 ATOM 1802 C CA . LYS B 1 22 ? 36.200 55.639 97.528 1.00 31.32 ? 400 LYS B CA 1 ATOM 1803 C C . LYS B 1 22 ? 36.960 55.613 98.845 1.00 28.79 ? 400 LYS B C 1 ATOM 1804 O O . LYS B 1 22 ? 36.404 55.941 99.889 1.00 33.47 ? 400 LYS B O 1 ATOM 1805 C CB . LYS B 1 22 ? 35.979 57.073 97.032 1.00 36.26 ? 400 LYS B CB 1 ATOM 1806 C CG . LYS B 1 22 ? 37.225 57.940 97.002 1.00 45.80 ? 400 LYS B CG 1 ATOM 1807 C CD . LYS B 1 22 ? 38.113 57.683 95.800 1.00 59.76 ? 400 LYS B CD 1 ATOM 1808 C CE . LYS B 1 22 ? 39.189 58.757 95.729 1.00 58.48 ? 400 LYS B CE 1 ATOM 1809 N NZ . LYS B 1 22 ? 40.353 58.295 94.932 1.00 66.16 ? 400 LYS B NZ 1 ATOM 1810 N N . ARG B 1 23 ? 38.229 55.216 98.788 1.00 31.43 ? 401 ARG B N 1 ATOM 1811 C CA . ARG B 1 23 ? 39.047 55.037 99.977 1.00 34.44 ? 401 ARG B CA 1 ATOM 1812 C C . ARG B 1 23 ? 40.198 56.038 100.007 1.00 33.61 ? 401 ARG B C 1 ATOM 1813 O O . ARG B 1 23 ? 40.984 56.115 99.059 1.00 35.94 ? 401 ARG B O 1 ATOM 1814 C CB . ARG B 1 23 ? 39.584 53.599 100.017 1.00 34.24 ? 401 ARG B CB 1 ATOM 1815 C CG . ARG B 1 23 ? 40.679 53.345 101.040 1.00 33.70 ? 401 ARG B CG 1 ATOM 1816 C CD . ARG B 1 23 ? 40.766 51.860 101.373 1.00 32.97 ? 401 ARG B CD 1 ATOM 1817 N NE . ARG B 1 23 ? 39.591 51.454 102.131 1.00 33.51 ? 401 ARG B NE 1 ATOM 1818 C CZ . ARG B 1 23 ? 39.394 50.247 102.646 1.00 34.94 ? 401 ARG B CZ 1 ATOM 1819 N NH1 . ARG B 1 23 ? 40.299 49.286 102.482 1.00 39.42 ? 401 ARG B NH1 1 ATOM 1820 N NH2 . ARG B 1 23 ? 38.278 50.003 103.325 1.00 31.04 ? 401 ARG B NH2 1 ATOM 1821 N N . LEU B 1 24 ? 40.295 56.796 101.099 1.00 35.77 ? 402 LEU B N 1 ATOM 1822 C CA . LEU B 1 24 ? 41.457 57.652 101.338 1.00 37.76 ? 402 LEU B CA 1 ATOM 1823 C C . LEU B 1 24 ? 42.281 57.098 102.496 1.00 36.20 ? 402 LEU B C 1 ATOM 1824 O O . LEU B 1 24 ? 41.741 56.791 103.557 1.00 34.29 ? 402 LEU B O 1 ATOM 1825 C CB . LEU B 1 24 ? 41.032 59.095 101.621 1.00 36.00 ? 402 LEU B CB 1 ATOM 1826 C CG . LEU B 1 24 ? 40.150 59.789 100.577 1.00 42.97 ? 402 LEU B CG 1 ATOM 1827 C CD1 . LEU B 1 24 ? 39.642 61.113 101.119 1.00 41.14 ? 402 LEU B CD1 1 ATOM 1828 C CD2 . LEU B 1 24 ? 40.890 59.994 99.259 1.00 47.49 ? 402 LEU B CD2 1 ATOM 1829 N N . VAL B 1 25 ? 43.584 56.958 102.277 1.00 36.48 ? 403 VAL B N 1 ATOM 1830 C CA . VAL B 1 25 ? 44.498 56.461 103.301 1.00 38.25 ? 403 VAL B CA 1 ATOM 1831 C C . VAL B 1 25 ? 45.362 57.624 103.788 1.00 40.50 ? 403 VAL B C 1 ATOM 1832 O O . VAL B 1 25 ? 45.916 58.371 102.984 1.00 41.79 ? 403 VAL B O 1 ATOM 1833 C CB . VAL B 1 25 ? 45.397 55.314 102.768 1.00 40.56 ? 403 VAL B CB 1 ATOM 1834 C CG1 . VAL B 1 25 ? 46.354 54.815 103.851 1.00 38.06 ? 403 VAL B CG1 1 ATOM 1835 C CG2 . VAL B 1 25 ? 44.556 54.155 102.232 1.00 39.10 ? 403 VAL B CG2 1 ATOM 1836 N N . PHE B 1 26 ? 45.474 57.767 105.106 1.00 38.13 ? 404 PHE B N 1 ATOM 1837 C CA . PHE B 1 26 ? 46.279 58.826 105.697 1.00 38.94 ? 404 PHE B CA 1 ATOM 1838 C C . PHE B 1 26 ? 47.362 58.281 106.613 1.00 37.67 ? 404 PHE B C 1 ATOM 1839 O O . PHE B 1 26 ? 47.080 57.487 107.522 1.00 38.11 ? 404 PHE B O 1 ATOM 1840 C CB . PHE B 1 26 ? 45.387 59.803 106.467 1.00 36.92 ? 404 PHE B CB 1 ATOM 1841 C CG . PHE B 1 26 ? 44.363 60.472 105.609 1.00 40.18 ? 404 PHE B CG 1 ATOM 1842 C CD1 . PHE B 1 26 ? 44.712 61.559 104.811 1.00 40.36 ? 404 PHE B CD1 1 ATOM 1843 C CD2 . PHE B 1 26 ? 43.057 60.010 105.583 1.00 42.36 ? 404 PHE B CD2 1 ATOM 1844 C CE1 . PHE B 1 26 ? 43.767 62.175 104.009 1.00 41.33 ? 404 PHE B CE1 1 ATOM 1845 C CE2 . PHE B 1 26 ? 42.104 60.625 104.782 1.00 41.65 ? 404 PHE B CE2 1 ATOM 1846 C CZ . PHE B 1 26 ? 42.459 61.706 103.992 1.00 42.44 ? 404 PHE B CZ 1 ATOM 1847 N N . THR B 1 27 ? 48.601 58.690 106.344 1.00 33.10 ? 405 THR B N 1 ATOM 1848 C CA . THR B 1 27 ? 49.726 58.439 107.239 1.00 40.93 ? 405 THR B CA 1 ATOM 1849 C C . THR B 1 27 ? 50.452 59.768 107.421 1.00 46.74 ? 405 THR B C 1 ATOM 1850 O O . THR B 1 27 ? 50.374 60.648 106.555 1.00 52.29 ? 405 THR B O 1 ATOM 1851 C CB . THR B 1 27 ? 50.707 57.364 106.705 1.00 41.53 ? 405 THR B CB 1 ATOM 1852 O OG1 . THR B 1 27 ? 51.250 57.784 105.452 1.00 43.93 ? 405 THR B OG1 1 ATOM 1853 C CG2 . THR B 1 27 ? 50.019 56.013 106.520 1.00 38.64 ? 405 THR B CG2 1 ATOM 1854 N N . ASN B 1 28 ? 51.132 59.915 108.555 1.00 53.10 ? 406 ASN B N 1 ATOM 1855 C CA . ASN B 1 28 ? 51.962 61.090 108.845 1.00 55.00 ? 406 ASN B CA 1 ATOM 1856 C C . ASN B 1 28 ? 51.292 62.428 108.492 1.00 48.56 ? 406 ASN B C 1 ATOM 1857 O O . ASN B 1 28 ? 51.773 63.180 107.641 1.00 51.56 ? 406 ASN B O 1 ATOM 1858 C CB . ASN B 1 28 ? 53.342 60.952 108.176 1.00 54.17 ? 406 ASN B CB 1 ATOM 1859 C CG . ASN B 1 28 ? 54.386 61.882 108.779 1.00 64.74 ? 406 ASN B CG 1 ATOM 1860 O OD1 . ASN B 1 28 ? 54.265 62.335 109.925 1.00 69.56 ? 406 ASN B OD1 1 ATOM 1861 N ND2 . ASN B 1 28 ? 55.426 62.169 108.006 1.00 65.49 ? 406 ASN B ND2 1 ATOM 1862 N N . CYS B 1 29 ? 50.164 62.699 109.141 1.00 45.54 ? 407 CYS B N 1 ATOM 1863 C CA . CYS B 1 29 ? 49.479 63.987 109.027 1.00 40.11 ? 407 CYS B CA 1 ATOM 1864 C C . CYS B 1 29 ? 48.646 64.253 110.270 1.00 43.66 ? 407 CYS B C 1 ATOM 1865 O O . CYS B 1 29 ? 48.382 63.338 111.050 1.00 42.23 ? 407 CYS B O 1 ATOM 1866 C CB . CYS B 1 29 ? 48.598 64.051 107.774 1.00 43.81 ? 407 CYS B CB 1 ATOM 1867 S SG . CYS B 1 29 ? 47.334 62.760 107.645 1.00 49.22 ? 407 CYS B SG 1 ATOM 1868 N N . ASN B 1 30 ? 48.233 65.505 110.453 1.00 42.12 ? 408 ASN B N 1 ATOM 1869 C CA . ASN B 1 30 ? 47.350 65.864 111.559 1.00 43.16 ? 408 ASN B CA 1 ATOM 1870 C C . ASN B 1 30 ? 45.926 66.080 111.055 1.00 43.02 ? 408 ASN B C 1 ATOM 1871 O O . ASN B 1 30 ? 45.726 66.769 110.059 1.00 50.45 ? 408 ASN B O 1 ATOM 1872 C CB . ASN B 1 30 ? 47.867 67.114 112.276 1.00 51.25 ? 408 ASN B CB 1 ATOM 1873 C CG . ASN B 1 30 ? 49.328 66.996 112.680 1.00 58.48 ? 408 ASN B CG 1 ATOM 1874 O OD1 . ASN B 1 30 ? 49.686 66.179 113.532 1.00 66.19 ? 408 ASN B OD1 1 ATOM 1875 N ND2 . ASN B 1 30 ? 50.181 67.819 112.072 1.00 59.47 ? 408 ASN B ND2 1 ATOM 1876 N N . TYR B 1 31 ? 44.948 65.481 111.730 1.00 39.01 ? 409 TYR B N 1 ATOM 1877 C CA . TYR B 1 31 ? 43.538 65.536 111.306 1.00 38.41 ? 409 TYR B CA 1 ATOM 1878 C C . TYR B 1 31 ? 42.690 66.365 112.270 1.00 37.16 ? 409 TYR B C 1 ATOM 1879 O O . TYR B 1 31 ? 43.047 66.539 113.430 1.00 37.46 ? 409 TYR B O 1 ATOM 1880 C CB . TYR B 1 31 ? 42.936 64.114 111.176 1.00 38.97 ? 409 TYR B CB 1 ATOM 1881 C CG . TYR B 1 31 ? 42.747 63.394 112.510 1.00 34.49 ? 409 TYR B CG 1 ATOM 1882 C CD1 . TYR B 1 31 ? 41.554 63.517 113.241 1.00 32.52 ? 409 TYR B CD1 1 ATOM 1883 C CD2 . TYR B 1 31 ? 43.769 62.608 113.050 1.00 34.06 ? 409 TYR B CD2 1 ATOM 1884 C CE1 . TYR B 1 31 ? 41.394 62.880 114.475 1.00 35.18 ? 409 TYR B CE1 1 ATOM 1885 C CE2 . TYR B 1 31 ? 43.614 61.965 114.271 1.00 31.26 ? 409 TYR B CE2 1 ATOM 1886 C CZ . TYR B 1 31 ? 42.433 62.101 114.980 1.00 32.68 ? 409 TYR B CZ 1 ATOM 1887 O OH . TYR B 1 31 ? 42.303 61.456 116.191 1.00 35.53 ? 409 TYR B OH 1 ATOM 1888 N N . ASN B 1 32 ? 41.569 66.878 111.778 1.00 38.48 ? 410 ASN B N 1 ATOM 1889 C CA . ASN B 1 32 ? 40.513 67.415 112.639 1.00 45.34 ? 410 ASN B CA 1 ATOM 1890 C C . ASN B 1 32 ? 39.202 66.849 112.121 1.00 44.97 ? 410 ASN B C 1 ATOM 1891 O O . ASN B 1 32 ? 38.623 67.351 111.157 1.00 43.10 ? 410 ASN B O 1 ATOM 1892 C CB . ASN B 1 32 ? 40.511 68.956 112.673 1.00 46.64 ? 410 ASN B CB 1 ATOM 1893 C CG . ASN B 1 32 ? 39.442 69.534 113.603 1.00 52.14 ? 410 ASN B CG 1 ATOM 1894 O OD1 . ASN B 1 32 ? 38.450 68.871 113.932 1.00 44.13 ? 410 ASN B OD1 1 ATOM 1895 N ND2 . ASN B 1 32 ? 39.644 70.794 114.026 1.00 64.03 ? 410 ASN B ND2 1 ATOM 1896 N N . LEU B 1 33 ? 38.764 65.770 112.758 1.00 47.20 ? 411 LEU B N 1 ATOM 1897 C CA . LEU B 1 33 ? 37.576 65.048 112.333 1.00 48.21 ? 411 LEU B CA 1 ATOM 1898 C C . LEU B 1 33 ? 36.327 65.876 112.597 1.00 45.49 ? 411 LEU B C 1 ATOM 1899 O O . LEU B 1 33 ? 35.391 65.876 111.796 1.00 44.97 ? 411 LEU B O 1 ATOM 1900 C CB . LEU B 1 33 ? 37.495 63.690 113.045 1.00 46.90 ? 411 LEU B CB 1 ATOM 1901 C CG . LEU B 1 33 ? 36.340 62.765 112.664 1.00 44.99 ? 411 LEU B CG 1 ATOM 1902 C CD1 . LEU B 1 33 ? 36.331 62.508 111.164 1.00 41.45 ? 411 LEU B CD1 1 ATOM 1903 C CD2 . LEU B 1 33 ? 36.425 61.457 113.435 1.00 41.58 ? 411 LEU B CD2 1 ATOM 1904 N N . THR B 1 34 ? 36.332 66.583 113.722 1.00 44.35 ? 412 THR B N 1 ATOM 1905 C CA . THR B 1 34 ? 35.228 67.443 114.124 1.00 49.85 ? 412 THR B CA 1 ATOM 1906 C C . THR B 1 34 ? 34.926 68.467 113.032 1.00 44.84 ? 412 THR B C 1 ATOM 1907 O O . THR B 1 34 ? 33.761 68.726 112.727 1.00 52.03 ? 412 THR B O 1 ATOM 1908 C CB . THR B 1 34 ? 35.546 68.150 115.458 1.00 54.94 ? 412 THR B CB 1 ATOM 1909 O OG1 . THR B 1 34 ? 35.883 67.164 116.441 1.00 58.82 ? 412 THR B OG1 1 ATOM 1910 C CG2 . THR B 1 34 ? 34.354 68.971 115.948 1.00 52.57 ? 412 THR B CG2 1 ATOM 1911 N N . LYS B 1 35 ? 35.982 69.021 112.438 1.00 46.25 ? 413 LYS B N 1 ATOM 1912 C CA . LYS B 1 35 ? 35.852 70.011 111.372 1.00 50.69 ? 413 LYS B CA 1 ATOM 1913 C C . LYS B 1 35 ? 35.144 69.400 110.175 1.00 48.14 ? 413 LYS B C 1 ATOM 1914 O O . LYS B 1 35 ? 34.123 69.921 109.730 1.00 50.64 ? 413 LYS B O 1 ATOM 1915 C CB . LYS B 1 35 ? 37.225 70.560 110.962 1.00 58.97 ? 413 LYS B CB 1 ATOM 1916 C CG . LYS B 1 35 ? 37.171 71.874 110.186 1.00 66.63 ? 413 LYS B CG 1 ATOM 1917 C CD . LYS B 1 35 ? 38.545 72.291 109.678 1.00 78.98 ? 413 LYS B CD 1 ATOM 1918 C CE . LYS B 1 35 ? 38.935 71.525 108.422 1.00 85.89 ? 413 LYS B CE 1 ATOM 1919 N NZ . LYS B 1 35 ? 40.393 71.621 108.141 1.00 94.88 ? 413 LYS B NZ 1 ATOM 1920 N N . LEU B 1 36 ? 35.685 68.287 109.675 1.00 46.80 ? 414 LEU B N 1 ATOM 1921 C CA . LEU B 1 36 ? 35.093 67.555 108.552 1.00 48.20 ? 414 LEU B CA 1 ATOM 1922 C C . LEU B 1 36 ? 33.600 67.298 108.747 1.00 43.91 ? 414 LEU B C 1 ATOM 1923 O O . LEU B 1 36 ? 32.784 67.627 107.874 1.00 44.99 ? 414 LEU B O 1 ATOM 1924 C CB . LEU B 1 36 ? 35.819 66.219 108.311 1.00 46.61 ? 414 LEU B CB 1 ATOM 1925 C CG . LEU B 1 36 ? 35.237 65.342 107.186 1.00 51.68 ? 414 LEU B CG 1 ATOM 1926 C CD1 . LEU B 1 36 ? 35.366 66.017 105.823 1.00 45.89 ? 414 LEU B CD1 1 ATOM 1927 C CD2 . LEU B 1 36 ? 35.873 63.959 107.163 1.00 47.61 ? 414 LEU B CD2 1 ATOM 1928 N N . LEU B 1 37 ? 33.258 66.708 109.889 1.00 34.49 ? 415 LEU B N 1 ATOM 1929 C CA . LEU B 1 37 ? 31.876 66.347 110.188 1.00 42.47 ? 415 LEU B CA 1 ATOM 1930 C C . LEU B 1 37 ? 30.934 67.521 110.449 1.00 45.69 ? 415 LEU B C 1 ATOM 1931 O O . LEU B 1 37 ? 29.720 67.388 110.252 1.00 46.73 ? 415 LEU B O 1 ATOM 1932 C CB . LEU B 1 37 ? 31.819 65.377 111.371 1.00 47.85 ? 415 LEU B CB 1 ATOM 1933 C CG . LEU B 1 37 ? 32.466 64.005 111.170 1.00 42.92 ? 415 LEU B CG 1 ATOM 1934 C CD1 . LEU B 1 37 ? 32.489 63.262 112.491 1.00 40.14 ? 415 LEU B CD1 1 ATOM 1935 C CD2 . LEU B 1 37 ? 31.743 63.205 110.089 1.00 39.60 ? 415 LEU B CD2 1 ATOM 1936 N N . SER B 1 38 ? 31.476 68.653 110.904 1.00 41.81 ? 416 SER B N 1 ATOM 1937 C CA . SER B 1 38 ? 30.649 69.834 111.167 1.00 50.89 ? 416 SER B CA 1 ATOM 1938 C C . SER B 1 38 ? 30.070 70.393 109.864 1.00 50.86 ? 416 SER B C 1 ATOM 1939 O O . SER B 1 38 ? 29.019 71.046 109.869 1.00 53.40 ? 416 SER B O 1 ATOM 1940 C CB . SER B 1 38 ? 31.444 70.912 111.911 1.00 53.56 ? 416 SER B CB 1 ATOM 1941 O OG . SER B 1 38 ? 32.456 71.461 111.082 1.00 57.44 ? 416 SER B OG 1 ATOM 1942 N N . LEU B 1 39 ? 30.761 70.120 108.755 1.00 48.04 ? 417 LEU B N 1 ATOM 1943 C CA . LEU B 1 39 ? 30.288 70.484 107.417 1.00 46.82 ? 417 LEU B CA 1 ATOM 1944 C C . LEU B 1 39 ? 29.031 69.723 106.991 1.00 48.63 ? 417 LEU B C 1 ATOM 1945 O O . LEU B 1 39 ? 28.399 70.085 106.006 1.00 48.43 ? 417 LEU B O 1 ATOM 1946 C CB . LEU B 1 39 ? 31.400 70.293 106.369 1.00 46.97 ? 417 LEU B CB 1 ATOM 1947 C CG . LEU B 1 39 ? 32.675 71.136 106.517 1.00 50.81 ? 417 LEU B CG 1 ATOM 1948 C CD1 . LEU B 1 39 ? 33.722 70.754 105.482 1.00 55.68 ? 417 LEU B CD1 1 ATOM 1949 C CD2 . LEU B 1 39 ? 32.382 72.630 106.444 1.00 60.03 ? 417 LEU B CD2 1 ATOM 1950 N N . PHE B 1 40 ? 28.679 68.678 107.738 1.00 48.99 ? 418 PHE B N 1 ATOM 1951 C CA . PHE B 1 40 ? 27.538 67.817 107.419 1.00 44.29 ? 418 PHE B CA 1 ATOM 1952 C C . PHE B 1 40 ? 26.509 67.834 108.526 1.00 39.04 ? 418 PHE B C 1 ATOM 1953 O O . PHE B 1 40 ? 26.761 68.330 109.622 1.00 50.20 ? 418 PHE B O 1 ATOM 1954 C CB . PHE B 1 40 ? 27.996 66.361 107.216 1.00 39.52 ? 418 PHE B CB 1 ATOM 1955 C CG . PHE B 1 40 ? 28.886 66.178 106.043 1.00 33.71 ? 418 PHE B CG 1 ATOM 1956 C CD1 . PHE B 1 40 ? 30.259 66.318 106.172 1.00 35.04 ? 418 PHE B CD1 1 ATOM 1957 C CD2 . PHE B 1 40 ? 28.349 65.891 104.793 1.00 36.57 ? 418 PHE B CD2 1 ATOM 1958 C CE1 . PHE B 1 40 ? 31.089 66.174 105.072 1.00 34.23 ? 418 PHE B CE1 1 ATOM 1959 C CE2 . PHE B 1 40 ? 29.169 65.749 103.690 1.00 33.43 ? 418 PHE B CE2 1 ATOM 1960 C CZ . PHE B 1 40 ? 30.541 65.884 103.830 1.00 36.05 ? 418 PHE B CZ 1 ATOM 1961 N N . SER B 1 41 ? 25.349 67.270 108.231 1.00 36.74 ? 419 SER B N 1 ATOM 1962 C CA . SER B 1 41 ? 24.363 66.985 109.249 1.00 40.64 ? 419 SER B CA 1 ATOM 1963 C C . SER B 1 41 ? 24.443 65.489 109.596 1.00 40.74 ? 419 SER B C 1 ATOM 1964 O O . SER B 1 41 ? 23.871 64.651 108.903 1.00 37.55 ? 419 SER B O 1 ATOM 1965 C CB . SER B 1 41 ? 22.976 67.373 108.742 1.00 42.34 ? 419 SER B CB 1 ATOM 1966 O OG . SER B 1 41 ? 21.970 66.929 109.628 1.00 49.08 ? 419 SER B OG 1 ATOM 1967 N N . VAL B 1 42 ? 25.167 65.170 110.668 1.00 41.45 ? 420 VAL B N 1 ATOM 1968 C CA . VAL B 1 42 ? 25.392 63.777 111.079 1.00 37.56 ? 420 VAL B CA 1 ATOM 1969 C C . VAL B 1 42 ? 24.129 63.173 111.686 1.00 37.35 ? 420 VAL B C 1 ATOM 1970 O O . VAL B 1 42 ? 23.585 63.690 112.663 1.00 41.86 ? 420 VAL B O 1 ATOM 1971 C CB . VAL B 1 42 ? 26.586 63.648 112.057 1.00 38.54 ? 420 VAL B CB 1 ATOM 1972 C CG1 . VAL B 1 42 ? 26.776 62.203 112.519 1.00 38.45 ? 420 VAL B CG1 1 ATOM 1973 C CG2 . VAL B 1 42 ? 27.857 64.154 111.404 1.00 35.80 ? 420 VAL B CG2 1 ATOM 1974 N N . ASN B 1 43 ? 23.670 62.079 111.088 1.00 31.95 ? 421 ASN B N 1 ATOM 1975 C CA . ASN B 1 43 ? 22.464 61.385 111.539 1.00 33.41 ? 421 ASN B CA 1 ATOM 1976 C C . ASN B 1 43 ? 22.745 60.189 112.430 1.00 31.74 ? 421 ASN B C 1 ATOM 1977 O O . ASN B 1 43 ? 21.980 59.900 113.330 1.00 34.46 ? 421 ASN B O 1 ATOM 1978 C CB . ASN B 1 43 ? 21.643 60.940 110.332 1.00 34.88 ? 421 ASN B CB 1 ATOM 1979 C CG . ASN B 1 43 ? 21.350 62.083 109.393 1.00 40.94 ? 421 ASN B CG 1 ATOM 1980 O OD1 . ASN B 1 43 ? 21.774 62.080 108.234 1.00 48.75 ? 421 ASN B OD1 1 ATOM 1981 N ND2 . ASN B 1 43 ? 20.650 63.092 109.900 1.00 44.01 ? 421 ASN B ND2 1 ATOM 1982 N N . ASP B 1 44 ? 23.838 59.485 112.161 1.00 31.75 ? 422 ASP B N 1 ATOM 1983 C CA . ASP B 1 44 ? 24.198 58.287 112.919 1.00 32.85 ? 422 ASP B CA 1 ATOM 1984 C C . ASP B 1 44 ? 25.708 58.165 112.939 1.00 33.81 ? 422 ASP B C 1 ATOM 1985 O O . ASP B 1 44 ? 26.380 58.512 111.960 1.00 34.13 ? 422 ASP B O 1 ATOM 1986 C CB . ASP B 1 44 ? 23.564 57.037 112.304 1.00 35.54 ? 422 ASP B CB 1 ATOM 1987 C CG . ASP B 1 44 ? 23.637 55.824 113.229 1.00 49.89 ? 422 ASP B CG 1 ATOM 1988 O OD1 . ASP B 1 44 ? 23.233 55.919 114.412 1.00 60.70 ? 422 ASP B OD1 1 ATOM 1989 O OD2 . ASP B 1 44 ? 24.091 54.760 112.770 1.00 57.51 ? 422 ASP B OD2 1 ATOM 1990 N N . PHE B 1 45 ? 26.229 57.680 114.061 1.00 33.63 ? 423 PHE B N 1 ATOM 1991 C CA . PHE B 1 45 ? 27.661 57.594 114.312 1.00 34.20 ? 423 PHE B CA 1 ATOM 1992 C C . PHE B 1 45 ? 27.868 56.366 115.207 1.00 35.90 ? 423 PHE B C 1 ATOM 1993 O O . PHE B 1 45 ? 27.794 56.477 116.424 1.00 36.81 ? 423 PHE B O 1 ATOM 1994 C CB . PHE B 1 45 ? 28.124 58.872 115.031 1.00 31.20 ? 423 PHE B CB 1 ATOM 1995 C CG . PHE B 1 45 ? 29.614 59.132 114.966 1.00 32.29 ? 423 PHE B CG 1 ATOM 1996 C CD1 . PHE B 1 45 ? 30.542 58.084 114.970 1.00 32.50 ? 423 PHE B CD1 1 ATOM 1997 C CD2 . PHE B 1 45 ? 30.090 60.442 114.938 1.00 30.28 ? 423 PHE B CD2 1 ATOM 1998 C CE1 . PHE B 1 45 ? 31.908 58.339 114.925 1.00 31.54 ? 423 PHE B CE1 1 ATOM 1999 C CE2 . PHE B 1 45 ? 31.454 60.705 114.900 1.00 35.16 ? 423 PHE B CE2 1 ATOM 2000 C CZ . PHE B 1 45 ? 32.365 59.653 114.888 1.00 37.08 ? 423 PHE B CZ 1 ATOM 2001 N N . THR B 1 46 ? 28.094 55.198 114.609 1.00 32.04 ? 424 THR B N 1 ATOM 2002 C CA . THR B 1 46 ? 28.270 53.968 115.390 1.00 34.82 ? 424 THR B CA 1 ATOM 2003 C C . THR B 1 46 ? 29.679 53.430 115.203 1.00 33.50 ? 424 THR B C 1 ATOM 2004 O O . THR B 1 46 ? 30.214 53.478 114.099 1.00 32.90 ? 424 THR B O 1 ATOM 2005 C CB . THR B 1 46 ? 27.252 52.868 115.030 1.00 37.22 ? 424 THR B CB 1 ATOM 2006 O OG1 . THR B 1 46 ? 27.409 52.504 113.661 1.00 51.19 ? 424 THR B OG1 1 ATOM 2007 C CG2 . THR B 1 46 ? 25.828 53.340 115.254 1.00 35.74 ? 424 THR B CG2 1 ATOM 2008 N N . CYS B 1 47 ? 30.272 52.931 116.284 1.00 31.65 ? 425 CYS B N 1 ATOM 2009 C CA . CYS B 1 47 ? 31.654 52.439 116.248 1.00 32.24 ? 425 CYS B CA 1 ATOM 2010 C C . CYS B 1 47 ? 31.801 51.018 116.788 1.00 30.60 ? 425 CYS B C 1 ATOM 2011 O O . CYS B 1 47 ? 30.954 50.519 117.526 1.00 26.72 ? 425 CYS B O 1 ATOM 2012 C CB . CYS B 1 47 ? 32.590 53.368 117.028 1.00 28.69 ? 425 CYS B CB 1 ATOM 2013 S SG . CYS B 1 47 ? 32.649 55.081 116.445 1.00 36.61 ? 425 CYS B SG 1 ATOM 2014 N N . SER B 1 48 ? 32.898 50.379 116.413 1.00 26.65 ? 426 SER B N 1 ATOM 2015 C CA . SER B 1 48 ? 33.224 49.070 116.931 1.00 28.80 ? 426 SER B CA 1 ATOM 2016 C C . SER B 1 48 ? 34.642 49.099 117.485 1.00 26.54 ? 426 SER B C 1 ATOM 2017 O O . SER B 1 48 ? 35.595 49.422 116.762 1.00 22.46 ? 426 SER B O 1 ATOM 2018 C CB . SER B 1 48 ? 33.087 48.021 115.834 1.00 34.04 ? 426 SER B CB 1 ATOM 2019 O OG . SER B 1 48 ? 33.252 46.735 116.372 1.00 42.69 ? 426 SER B OG 1 ATOM 2020 N N . GLN B 1 49 ? 34.759 48.780 118.777 1.00 24.65 ? 427 GLN B N 1 ATOM 2021 C CA . GLN B 1 49 ? 36.045 48.695 119.494 1.00 25.35 ? 427 GLN B CA 1 ATOM 2022 C C . GLN B 1 49 ? 36.754 50.046 119.636 1.00 24.27 ? 427 GLN B C 1 ATOM 2023 O O . GLN B 1 49 ? 37.962 50.122 119.873 1.00 22.19 ? 427 GLN B O 1 ATOM 2024 C CB . GLN B 1 49 ? 36.958 47.615 118.886 1.00 25.36 ? 427 GLN B CB 1 ATOM 2025 C CG . GLN B 1 49 ? 36.243 46.275 118.619 1.00 30.22 ? 427 GLN B CG 1 ATOM 2026 C CD . GLN B 1 49 ? 35.410 45.766 119.811 1.00 33.20 ? 427 GLN B CD 1 ATOM 2027 O OE1 . GLN B 1 49 ? 35.764 45.974 120.988 1.00 36.53 ? 427 GLN B OE1 1 ATOM 2028 N NE2 . GLN B 1 49 ? 34.297 45.081 119.507 1.00 37.19 ? 427 GLN B NE2 1 ATOM 2029 N N . ILE B 1 50 ? 35.965 51.104 119.487 1.00 24.52 ? 428 ILE B N 1 ATOM 2030 C CA . ILE B 1 50 ? 36.384 52.483 119.739 1.00 25.66 ? 428 ILE B CA 1 ATOM 2031 C C . ILE B 1 50 ? 35.097 53.283 119.998 1.00 27.77 ? 428 ILE B C 1 ATOM 2032 O O . ILE B 1 50 ? 33.990 52.760 119.804 1.00 27.11 ? 428 ILE B O 1 ATOM 2033 C CB . ILE B 1 50 ? 37.235 53.037 118.563 1.00 25.14 ? 428 ILE B CB 1 ATOM 2034 C CG1 . ILE B 1 50 ? 38.013 54.293 118.979 1.00 27.91 ? 428 ILE B CG1 1 ATOM 2035 C CG2 . ILE B 1 50 ? 36.387 53.231 117.304 1.00 22.69 ? 428 ILE B CG2 1 ATOM 2036 C CD1 . ILE B 1 50 ? 39.198 54.608 118.083 1.00 26.25 ? 428 ILE B CD1 1 ATOM 2037 N N . SER B 1 51 ? 35.230 54.523 120.463 1.00 29.22 ? 429 SER B N 1 ATOM 2038 C CA . SER B 1 51 ? 34.069 55.403 120.636 1.00 29.34 ? 429 SER B CA 1 ATOM 2039 C C . SER B 1 51 ? 34.162 56.611 119.697 1.00 29.17 ? 429 SER B C 1 ATOM 2040 O O . SER B 1 51 ? 35.245 56.916 119.194 1.00 26.33 ? 429 SER B O 1 ATOM 2041 C CB . SER B 1 51 ? 33.962 55.870 122.086 1.00 26.53 ? 429 SER B CB 1 ATOM 2042 O OG . SER B 1 51 ? 35.046 56.713 122.410 1.00 27.52 ? 429 SER B OG 1 ATOM 2043 N N . PRO B 1 52 ? 33.027 57.301 119.448 1.00 30.49 ? 430 PRO B N 1 ATOM 2044 C CA . PRO B 1 52 ? 33.108 58.538 118.666 1.00 31.09 ? 430 PRO B CA 1 ATOM 2045 C C . PRO B 1 52 ? 34.096 59.552 119.263 1.00 30.11 ? 430 PRO B C 1 ATOM 2046 O O . PRO B 1 52 ? 34.851 60.184 118.521 1.00 33.68 ? 430 PRO B O 1 ATOM 2047 C CB . PRO B 1 52 ? 31.676 59.077 118.718 1.00 31.60 ? 430 PRO B CB 1 ATOM 2048 C CG . PRO B 1 52 ? 30.828 57.849 118.862 1.00 30.96 ? 430 PRO B CG 1 ATOM 2049 C CD . PRO B 1 52 ? 31.629 56.930 119.756 1.00 27.57 ? 430 PRO B CD 1 ATOM 2050 N N . ALA B 1 53 ? 34.105 59.693 120.585 1.00 31.06 ? 431 ALA B N 1 ATOM 2051 C CA . ALA B 1 53 ? 35.032 60.621 121.244 1.00 34.31 ? 431 ALA B CA 1 ATOM 2052 C C . ALA B 1 53 ? 36.498 60.187 121.098 1.00 32.91 ? 431 ALA B C 1 ATOM 2053 O O . ALA B 1 53 ? 37.378 61.024 120.870 1.00 33.72 ? 431 ALA B O 1 ATOM 2054 C CB . ALA B 1 53 ? 34.665 60.815 122.713 1.00 29.23 ? 431 ALA B CB 1 ATOM 2055 N N . ALA B 1 54 ? 36.769 58.890 121.227 1.00 26.10 ? 432 ALA B N 1 ATOM 2056 C CA . ALA B 1 54 ? 38.157 58.417 121.110 1.00 26.42 ? 432 ALA B CA 1 ATOM 2057 C C . ALA B 1 54 ? 38.692 58.551 119.683 1.00 28.92 ? 432 ALA B C 1 ATOM 2058 O O . ALA B 1 54 ? 39.848 58.935 119.480 1.00 30.29 ? 432 ALA B O 1 ATOM 2059 C CB . ALA B 1 54 ? 38.296 56.980 121.598 1.00 20.98 ? 432 ALA B CB 1 ATOM 2060 N N . ILE B 1 55 ? 37.855 58.245 118.694 1.00 27.96 ? 433 ILE B N 1 ATOM 2061 C CA . ILE B 1 55 ? 38.326 58.248 117.312 1.00 29.47 ? 433 ILE B CA 1 ATOM 2062 C C . ILE B 1 55 ? 38.684 59.651 116.824 1.00 30.94 ? 433 ILE B C 1 ATOM 2063 O O . ILE B 1 55 ? 39.540 59.803 115.954 1.00 29.99 ? 433 ILE B O 1 ATOM 2064 C CB . ILE B 1 55 ? 37.373 57.512 116.342 1.00 30.97 ? 433 ILE B CB 1 ATOM 2065 C CG1 . ILE B 1 55 ? 38.192 56.935 115.170 1.00 30.94 ? 433 ILE B CG1 1 ATOM 2066 C CG2 . ILE B 1 55 ? 36.208 58.410 115.899 1.00 31.88 ? 433 ILE B CG2 1 ATOM 2067 C CD1 . ILE B 1 55 ? 37.432 55.999 114.262 1.00 29.50 ? 433 ILE B CD1 1 ATOM 2068 N N . ALA B 1 56 ? 38.050 60.665 117.409 1.00 32.57 ? 434 ALA B N 1 ATOM 2069 C CA . ALA B 1 56 ? 38.380 62.064 117.100 1.00 37.95 ? 434 ALA B CA 1 ATOM 2070 C C . ALA B 1 56 ? 39.657 62.558 117.791 1.00 37.77 ? 434 ALA B C 1 ATOM 2071 O O . ALA B 1 56 ? 40.153 63.630 117.453 1.00 42.31 ? 434 ALA B O 1 ATOM 2072 C CB . ALA B 1 56 ? 37.206 62.993 117.432 1.00 30.33 ? 434 ALA B CB 1 ATOM 2073 N N . SER B 1 57 ? 40.192 61.787 118.741 1.00 36.78 ? 435 SER B N 1 ATOM 2074 C CA . SER B 1 57 ? 41.265 62.299 119.592 1.00 36.19 ? 435 SER B CA 1 ATOM 2075 C C . SER B 1 57 ? 42.519 61.434 119.789 1.00 34.51 ? 435 SER B C 1 ATOM 2076 O O . SER B 1 57 ? 43.435 61.836 120.498 1.00 40.94 ? 435 SER B O 1 ATOM 2077 C CB . SER B 1 57 ? 40.701 62.755 120.941 1.00 39.10 ? 435 SER B CB 1 ATOM 2078 O OG . SER B 1 57 ? 39.996 61.713 121.580 1.00 45.57 ? 435 SER B OG 1 ATOM 2079 N N . ASN B 1 58 ? 42.587 60.271 119.153 1.00 33.08 ? 436 ASN B N 1 ATOM 2080 C CA . ASN B 1 58 ? 43.762 59.397 119.316 1.00 34.43 ? 436 ASN B CA 1 ATOM 2081 C C . ASN B 1 58 ? 44.796 59.538 118.178 1.00 30.24 ? 436 ASN B C 1 ATOM 2082 O O . ASN B 1 58 ? 44.483 60.074 117.113 1.00 30.74 ? 436 ASN B O 1 ATOM 2083 C CB . ASN B 1 58 ? 43.332 57.918 119.436 1.00 31.27 ? 436 ASN B CB 1 ATOM 2084 C CG . ASN B 1 58 ? 42.751 57.555 120.796 1.00 32.78 ? 436 ASN B CG 1 ATOM 2085 O OD1 . ASN B 1 58 ? 42.284 56.435 120.976 1.00 39.79 ? 436 ASN B OD1 1 ATOM 2086 N ND2 . ASN B 1 58 ? 42.778 58.470 121.749 1.00 28.20 ? 436 ASN B ND2 1 ATOM 2087 N N . CYS B 1 59 ? 46.017 59.049 118.416 1.00 30.09 ? 437 CYS B N 1 ATOM 2088 C CA . CYS B 1 59 ? 47.065 58.962 117.390 1.00 31.10 ? 437 CYS B CA 1 ATOM 2089 C C . CYS B 1 59 ? 47.150 57.552 116.798 1.00 30.46 ? 437 CYS B C 1 ATOM 2090 O O . CYS B 1 59 ? 47.140 56.564 117.528 1.00 34.79 ? 437 CYS B O 1 ATOM 2091 C CB . CYS B 1 59 ? 48.430 59.360 117.969 1.00 36.72 ? 437 CYS B CB 1 ATOM 2092 S SG . CYS B 1 59 ? 48.627 61.116 118.358 1.00 42.85 ? 437 CYS B SG 1 ATOM 2093 N N . TYR B 1 60 ? 47.238 57.470 115.472 1.00 31.45 ? 438 TYR B N 1 ATOM 2094 C CA . TYR B 1 60 ? 47.236 56.194 114.749 1.00 31.67 ? 438 TYR B CA 1 ATOM 2095 C C . TYR B 1 60 ? 48.459 56.082 113.854 1.00 33.55 ? 438 TYR B C 1 ATOM 2096 O O . TYR B 1 60 ? 49.117 57.087 113.570 1.00 33.02 ? 438 TYR B O 1 ATOM 2097 C CB . TYR B 1 60 ? 45.959 56.063 113.901 1.00 29.12 ? 438 TYR B CB 1 ATOM 2098 C CG . TYR B 1 60 ? 44.736 56.585 114.611 1.00 27.32 ? 438 TYR B CG 1 ATOM 2099 C CD1 . TYR B 1 60 ? 44.226 55.928 115.726 1.00 26.08 ? 438 TYR B CD1 1 ATOM 2100 C CD2 . TYR B 1 60 ? 44.103 57.756 114.182 1.00 26.76 ? 438 TYR B CD2 1 ATOM 2101 C CE1 . TYR B 1 60 ? 43.109 56.415 116.396 1.00 27.31 ? 438 TYR B CE1 1 ATOM 2102 C CE2 . TYR B 1 60 ? 42.979 58.250 114.838 1.00 25.76 ? 438 TYR B CE2 1 ATOM 2103 C CZ . TYR B 1 60 ? 42.499 57.576 115.950 1.00 26.39 ? 438 TYR B CZ 1 ATOM 2104 O OH . TYR B 1 60 ? 41.414 58.061 116.617 1.00 29.76 ? 438 TYR B OH 1 ATOM 2105 N N . SER B 1 61 ? 48.762 54.861 113.416 1.00 33.05 ? 439 SER B N 1 ATOM 2106 C CA . SER B 1 61 ? 49.789 54.659 112.393 1.00 37.20 ? 439 SER B CA 1 ATOM 2107 C C . SER B 1 61 ? 49.183 54.895 111.016 1.00 39.21 ? 439 SER B C 1 ATOM 2108 O O . SER B 1 61 ? 49.862 55.356 110.105 1.00 46.95 ? 439 SER B O 1 ATOM 2109 C CB . SER B 1 61 ? 50.412 53.267 112.478 1.00 40.12 ? 439 SER B CB 1 ATOM 2110 O OG . SER B 1 61 ? 49.408 52.264 112.462 1.00 46.40 ? 439 SER B OG 1 ATOM 2111 N N . SER B 1 62 ? 47.900 54.576 110.874 1.00 34.37 ? 440 SER B N 1 ATOM 2112 C CA . SER B 1 62 ? 47.156 54.940 109.674 1.00 34.82 ? 440 SER B CA 1 ATOM 2113 C C . SER B 1 62 ? 45.673 55.112 109.964 1.00 32.72 ? 440 SER B C 1 ATOM 2114 O O . SER B 1 62 ? 45.123 54.502 110.885 1.00 28.99 ? 440 SER B O 1 ATOM 2115 C CB . SER B 1 62 ? 47.366 53.921 108.544 1.00 37.47 ? 440 SER B CB 1 ATOM 2116 O OG . SER B 1 62 ? 46.958 52.631 108.953 1.00 43.14 ? 440 SER B OG 1 ATOM 2117 N N . LEU B 1 63 ? 45.040 55.961 109.169 1.00 29.34 ? 441 LEU B N 1 ATOM 2118 C CA . LEU B 1 63 ? 43.608 56.166 109.251 1.00 31.00 ? 441 LEU B CA 1 ATOM 2119 C C . LEU B 1 63 ? 43.050 56.050 107.835 1.00 31.96 ? 441 LEU B C 1 ATOM 2120 O O . LEU B 1 63 ? 43.587 56.638 106.891 1.00 32.21 ? 441 LEU B O 1 ATOM 2121 C CB . LEU B 1 63 ? 43.285 57.525 109.899 1.00 31.60 ? 441 LEU B CB 1 ATOM 2122 C CG . LEU B 1 63 ? 41.819 57.995 109.957 1.00 31.22 ? 441 LEU B CG 1 ATOM 2123 C CD1 . LEU B 1 63 ? 41.586 58.971 111.099 1.00 32.00 ? 441 LEU B CD1 1 ATOM 2124 C CD2 . LEU B 1 63 ? 41.406 58.631 108.643 1.00 37.09 ? 441 LEU B CD2 1 ATOM 2125 N N . ILE B 1 64 ? 41.980 55.277 107.696 1.00 32.05 ? 442 ILE B N 1 ATOM 2126 C CA . ILE B 1 64 ? 41.374 55.019 106.401 1.00 33.16 ? 442 ILE B CA 1 ATOM 2127 C C . ILE B 1 64 ? 39.963 55.594 106.399 1.00 32.17 ? 442 ILE B C 1 ATOM 2128 O O . ILE B 1 64 ? 39.191 55.346 107.317 1.00 32.17 ? 442 ILE B O 1 ATOM 2129 C CB . ILE B 1 64 ? 41.349 53.500 106.093 1.00 34.20 ? 442 ILE B CB 1 ATOM 2130 C CG1 . ILE B 1 64 ? 42.776 52.972 105.931 1.00 39.93 ? 442 ILE B CG1 1 ATOM 2131 C CG2 . ILE B 1 64 ? 40.524 53.214 104.850 1.00 37.79 ? 442 ILE B CG2 1 ATOM 2132 C CD1 . ILE B 1 64 ? 42.888 51.459 105.922 1.00 57.11 ? 442 ILE B CD1 1 ATOM 2133 N N . LEU B 1 65 ? 39.644 56.380 105.373 1.00 29.53 ? 443 LEU B N 1 ATOM 2134 C CA . LEU B 1 65 ? 38.327 56.973 105.251 1.00 29.24 ? 443 LEU B CA 1 ATOM 2135 C C . LEU B 1 65 ? 37.689 56.533 103.941 1.00 30.73 ? 443 LEU B C 1 ATOM 2136 O O . LEU B 1 65 ? 38.185 56.866 102.860 1.00 31.65 ? 443 LEU B O 1 ATOM 2137 C CB . LEU B 1 65 ? 38.432 58.493 105.316 1.00 33.45 ? 443 LEU B CB 1 ATOM 2138 C CG . LEU B 1 65 ? 37.172 59.333 105.089 1.00 39.46 ? 443 LEU B CG 1 ATOM 2139 C CD1 . LEU B 1 65 ? 36.082 59.031 106.109 1.00 34.66 ? 443 LEU B CD1 1 ATOM 2140 C CD2 . LEU B 1 65 ? 37.565 60.798 105.145 1.00 47.63 ? 443 LEU B CD2 1 ATOM 2141 N N . ASP B 1 66 ? 36.601 55.771 104.054 1.00 30.57 ? 444 ASP B N 1 ATOM 2142 C CA . ASP B 1 66 ? 35.806 55.343 102.912 1.00 27.90 ? 444 ASP B CA 1 ATOM 2143 C C . ASP B 1 66 ? 34.583 56.221 102.839 1.00 29.02 ? 444 ASP B C 1 ATOM 2144 O O . ASP B 1 66 ? 33.977 56.518 103.877 1.00 29.22 ? 444 ASP B O 1 ATOM 2145 C CB . ASP B 1 66 ? 35.356 53.884 103.087 1.00 27.00 ? 444 ASP B CB 1 ATOM 2146 C CG . ASP B 1 66 ? 36.535 52.922 103.234 1.00 31.74 ? 444 ASP B CG 1 ATOM 2147 O OD1 . ASP B 1 66 ? 37.537 53.112 102.511 1.00 28.91 ? 444 ASP B OD1 1 ATOM 2148 O OD2 . ASP B 1 66 ? 36.460 51.977 104.068 1.00 31.72 ? 444 ASP B OD2 1 ATOM 2149 N N . TYR B 1 67 ? 34.209 56.636 101.628 1.00 27.11 ? 445 TYR B N 1 ATOM 2150 C CA . TYR B 1 67 ? 32.965 57.389 101.461 1.00 28.65 ? 445 TYR B CA 1 ATOM 2151 C C . TYR B 1 67 ? 32.177 56.999 100.230 1.00 28.32 ? 445 TYR B C 1 ATOM 2152 O O . TYR B 1 67 ? 32.741 56.538 99.233 1.00 31.88 ? 445 TYR B O 1 ATOM 2153 C CB . TYR B 1 67 ? 33.192 58.907 101.506 1.00 33.16 ? 445 TYR B CB 1 ATOM 2154 C CG . TYR B 1 67 ? 33.967 59.494 100.346 1.00 32.29 ? 445 TYR B CG 1 ATOM 2155 C CD1 . TYR B 1 67 ? 35.357 59.547 100.372 1.00 33.73 ? 445 TYR B CD1 1 ATOM 2156 C CD2 . TYR B 1 67 ? 33.304 60.039 99.241 1.00 35.04 ? 445 TYR B CD2 1 ATOM 2157 C CE1 . TYR B 1 67 ? 36.070 60.103 99.320 1.00 40.99 ? 445 TYR B CE1 1 ATOM 2158 C CE2 . TYR B 1 67 ? 34.010 60.601 98.184 1.00 36.84 ? 445 TYR B CE2 1 ATOM 2159 C CZ . TYR B 1 67 ? 35.389 60.634 98.231 1.00 39.49 ? 445 TYR B CZ 1 ATOM 2160 O OH . TYR B 1 67 ? 36.103 61.182 97.191 1.00 45.39 ? 445 TYR B OH 1 ATOM 2161 N N . PHE B 1 68 ? 30.866 57.205 100.313 1.00 25.20 ? 446 PHE B N 1 ATOM 2162 C CA . PHE B 1 68 ? 29.942 56.771 99.280 1.00 27.20 ? 446 PHE B CA 1 ATOM 2163 C C . PHE B 1 68 ? 28.572 57.397 99.502 1.00 27.74 ? 446 PHE B C 1 ATOM 2164 O O . PHE B 1 68 ? 28.255 57.830 100.615 1.00 28.84 ? 446 PHE B O 1 ATOM 2165 C CB . PHE B 1 68 ? 29.847 55.225 99.248 1.00 27.12 ? 446 PHE B CB 1 ATOM 2166 C CG . PHE B 1 68 ? 29.669 54.582 100.614 1.00 26.88 ? 446 PHE B CG 1 ATOM 2167 C CD1 . PHE B 1 68 ? 28.395 54.334 101.127 1.00 26.77 ? 446 PHE B CD1 1 ATOM 2168 C CD2 . PHE B 1 68 ? 30.776 54.203 101.372 1.00 25.92 ? 446 PHE B CD2 1 ATOM 2169 C CE1 . PHE B 1 68 ? 28.229 53.750 102.377 1.00 25.32 ? 446 PHE B CE1 1 ATOM 2170 C CE2 . PHE B 1 68 ? 30.621 53.617 102.628 1.00 26.85 ? 446 PHE B CE2 1 ATOM 2171 C CZ . PHE B 1 68 ? 29.347 53.387 103.128 1.00 26.03 ? 446 PHE B CZ 1 ATOM 2172 N N . SER B 1 69 ? 27.770 57.465 98.440 1.00 30.81 ? 447 SER B N 1 ATOM 2173 C CA . SER B 1 69 ? 26.345 57.802 98.552 1.00 28.41 ? 447 SER B CA 1 ATOM 2174 C C . SER B 1 69 ? 25.614 56.645 99.222 1.00 27.78 ? 447 SER B C 1 ATOM 2175 O O . SER B 1 69 ? 25.844 55.487 98.874 1.00 28.71 ? 447 SER B O 1 ATOM 2176 C CB . SER B 1 69 ? 25.743 58.033 97.170 1.00 30.52 ? 447 SER B CB 1 ATOM 2177 O OG . SER B 1 69 ? 26.470 59.015 96.456 1.00 36.20 ? 447 SER B OG 1 ATOM 2178 N N . TYR B 1 70 ? 24.737 56.953 100.175 1.00 27.07 ? 448 TYR B N 1 ATOM 2179 C CA . TYR B 1 70 ? 23.973 55.923 100.897 1.00 28.39 ? 448 TYR B CA 1 ATOM 2180 C C . TYR B 1 70 ? 22.758 56.559 101.533 1.00 27.20 ? 448 TYR B C 1 ATOM 2181 O O . TYR B 1 70 ? 22.898 57.544 102.242 1.00 29.67 ? 448 TYR B O 1 ATOM 2182 C CB . TYR B 1 70 ? 24.813 55.264 102.010 1.00 27.21 ? 448 TYR B CB 1 ATOM 2183 C CG . TYR B 1 70 ? 24.205 53.962 102.524 1.00 25.92 ? 448 TYR B CG 1 ATOM 2184 C CD1 . TYR B 1 70 ? 24.422 52.755 101.851 1.00 27.86 ? 448 TYR B CD1 1 ATOM 2185 C CD2 . TYR B 1 70 ? 23.401 53.947 103.661 1.00 24.62 ? 448 TYR B CD2 1 ATOM 2186 C CE1 . TYR B 1 70 ? 23.858 51.563 102.310 1.00 27.66 ? 448 TYR B CE1 1 ATOM 2187 C CE2 . TYR B 1 70 ? 22.837 52.771 104.125 1.00 28.59 ? 448 TYR B CE2 1 ATOM 2188 C CZ . TYR B 1 70 ? 23.072 51.589 103.446 1.00 27.30 ? 448 TYR B CZ 1 ATOM 2189 O OH . TYR B 1 70 ? 22.512 50.443 103.900 1.00 28.83 ? 448 TYR B OH 1 ATOM 2190 N N . PRO B 1 71 ? 21.564 55.987 101.301 1.00 28.13 ? 449 PRO B N 1 ATOM 2191 C CA . PRO B 1 71 ? 20.338 56.561 101.847 1.00 30.34 ? 449 PRO B CA 1 ATOM 2192 C C . PRO B 1 71 ? 20.100 56.207 103.320 1.00 34.17 ? 449 PRO B C 1 ATOM 2193 O O . PRO B 1 71 ? 20.188 55.027 103.710 1.00 31.45 ? 449 PRO B O 1 ATOM 2194 C CB . PRO B 1 71 ? 19.250 55.942 100.979 1.00 28.48 ? 449 PRO B CB 1 ATOM 2195 C CG . PRO B 1 71 ? 19.814 54.643 100.529 1.00 28.60 ? 449 PRO B CG 1 ATOM 2196 C CD . PRO B 1 71 ? 21.306 54.797 100.474 1.00 27.81 ? 449 PRO B CD 1 ATOM 2197 N N . LEU B 1 72 ? 19.784 57.230 104.113 1.00 32.52 ? 450 LEU B N 1 ATOM 2198 C CA . LEU B 1 72 ? 19.469 57.062 105.529 1.00 36.43 ? 450 LEU B CA 1 ATOM 2199 C C . LEU B 1 72 ? 18.352 56.038 105.752 1.00 34.94 ? 450 LEU B C 1 ATOM 2200 O O . LEU B 1 72 ? 18.348 55.345 106.766 1.00 37.35 ? 450 LEU B O 1 ATOM 2201 C CB . LEU B 1 72 ? 19.110 58.416 106.159 1.00 40.03 ? 450 LEU B CB 1 ATOM 2202 C CG . LEU B 1 72 ? 18.911 58.528 107.673 1.00 43.57 ? 450 LEU B CG 1 ATOM 2203 C CD1 . LEU B 1 72 ? 20.122 58.027 108.451 1.00 45.96 ? 450 LEU B CD1 1 ATOM 2204 C CD2 . LEU B 1 72 ? 18.581 59.965 108.057 1.00 44.00 ? 450 LEU B CD2 1 ATOM 2205 N N . SER B 1 73 ? 17.435 55.920 104.791 1.00 34.56 ? 451 SER B N 1 ATOM 2206 C CA . SER B 1 73 ? 16.349 54.927 104.859 1.00 35.58 ? 451 SER B CA 1 ATOM 2207 C C . SER B 1 73 ? 16.847 53.472 104.841 1.00 38.41 ? 451 SER B C 1 ATOM 2208 O O . SER B 1 73 ? 16.098 52.552 105.175 1.00 38.25 ? 451 SER B O 1 ATOM 2209 C CB . SER B 1 73 ? 15.342 55.142 103.724 1.00 34.82 ? 451 SER B CB 1 ATOM 2210 O OG . SER B 1 73 ? 15.952 54.931 102.452 1.00 33.11 ? 451 SER B OG 1 ATOM 2211 N N . MET B 1 74 ? 18.101 53.273 104.440 1.00 34.09 ? 452 MET B N 1 ATOM 2212 C CA . MET B 1 74 ? 18.714 51.950 104.446 1.00 35.55 ? 452 MET B CA 1 ATOM 2213 C C . MET B 1 74 ? 19.640 51.725 105.655 1.00 33.23 ? 452 MET B C 1 ATOM 2214 O O . MET B 1 74 ? 20.505 50.840 105.638 1.00 31.58 ? 452 MET B O 1 ATOM 2215 C CB . MET B 1 74 ? 19.452 51.687 103.123 1.00 35.26 ? 452 MET B CB 1 ATOM 2216 C CG . MET B 1 74 ? 18.517 51.404 101.955 1.00 37.69 ? 452 MET B CG 1 ATOM 2217 S SD . MET B 1 74 ? 19.387 50.903 100.463 1.00 39.59 ? 452 MET B SD 1 ATOM 2218 C CE . MET B 1 74 ? 20.101 49.344 101.006 1.00 36.84 ? 452 MET B CE 1 ATOM 2219 N N . LYS B 1 75 ? 19.451 52.518 106.707 1.00 30.76 ? 453 LYS B N 1 ATOM 2220 C CA . LYS B 1 75 ? 20.216 52.326 107.931 1.00 34.13 ? 453 LYS B CA 1 ATOM 2221 C C . LYS B 1 75 ? 20.096 50.880 108.440 1.00 31.54 ? 453 LYS B C 1 ATOM 2222 O O . LYS B 1 75 ? 21.100 50.270 108.791 1.00 30.07 ? 453 LYS B O 1 ATOM 2223 C CB . LYS B 1 75 ? 19.785 53.313 109.020 1.00 36.64 ? 453 LYS B CB 1 ATOM 2224 C CG . LYS B 1 75 ? 20.710 53.303 110.230 1.00 40.08 ? 453 LYS B CG 1 ATOM 2225 C CD . LYS B 1 75 ? 20.329 54.346 111.266 1.00 43.78 ? 453 LYS B CD 1 ATOM 2226 C CE . LYS B 1 75 ? 19.581 53.721 112.430 1.00 56.68 ? 453 LYS B CE 1 ATOM 2227 N NZ . LYS B 1 75 ? 19.210 54.726 113.468 1.00 63.54 ? 453 LYS B NZ 1 ATOM 2228 N N . SER B 1 76 ? 18.872 50.343 108.466 1.00 29.89 ? 454 SER B N 1 ATOM 2229 C CA . SER B 1 76 ? 18.640 48.970 108.937 1.00 32.18 ? 454 SER B CA 1 ATOM 2230 C C . SER B 1 76 ? 19.388 47.934 108.091 1.00 32.46 ? 454 SER B C 1 ATOM 2231 O O . SER B 1 76 ? 19.740 46.863 108.584 1.00 30.39 ? 454 SER B O 1 ATOM 2232 C CB . SER B 1 76 ? 17.140 48.639 108.972 1.00 34.97 ? 454 SER B CB 1 ATOM 2233 O OG . SER B 1 76 ? 16.610 48.549 107.655 1.00 44.53 ? 454 SER B OG 1 ATOM 2234 N N . ASP B 1 77 ? 19.626 48.261 106.822 1.00 29.39 ? 455 ASP B N 1 ATOM 2235 C CA . ASP B 1 77 ? 20.369 47.385 105.924 1.00 28.89 ? 455 ASP B CA 1 ATOM 2236 C C . ASP B 1 77 ? 21.845 47.299 106.297 1.00 28.60 ? 455 ASP B C 1 ATOM 2237 O O . ASP B 1 77 ? 22.524 46.349 105.916 1.00 29.87 ? 455 ASP B O 1 ATOM 2238 C CB . ASP B 1 77 ? 20.189 47.808 104.467 1.00 32.71 ? 455 ASP B CB 1 ATOM 2239 C CG . ASP B 1 77 ? 18.735 47.753 104.027 1.00 41.68 ? 455 ASP B CG 1 ATOM 2240 O OD1 . ASP B 1 77 ? 17.960 48.670 104.386 1.00 47.28 ? 455 ASP B OD1 1 ATOM 2241 O OD2 . ASP B 1 77 ? 18.362 46.790 103.326 1.00 50.42 ? 455 ASP B OD2 1 ATOM 2242 N N . LEU B 1 78 ? 22.340 48.283 107.045 1.00 25.72 ? 456 LEU B N 1 ATOM 2243 C CA . LEU B 1 78 ? 23.671 48.167 107.650 1.00 28.25 ? 456 LEU B CA 1 ATOM 2244 C C . LEU B 1 78 ? 23.597 47.364 108.950 1.00 30.09 ? 456 LEU B C 1 ATOM 2245 O O . LEU B 1 78 ? 24.476 46.543 109.230 1.00 29.83 ? 456 LEU B O 1 ATOM 2246 C CB . LEU B 1 78 ? 24.285 49.536 107.925 1.00 29.56 ? 456 LEU B CB 1 ATOM 2247 C CG . LEU B 1 78 ? 24.552 50.427 106.712 1.00 30.27 ? 456 LEU B CG 1 ATOM 2248 C CD1 . LEU B 1 78 ? 24.772 51.859 107.177 1.00 28.30 ? 456 LEU B CD1 1 ATOM 2249 C CD2 . LEU B 1 78 ? 25.726 49.915 105.879 1.00 31.09 ? 456 LEU B CD2 1 ATOM 2250 N N . SER B 1 79 ? 22.545 47.591 109.733 1.00 28.27 ? 457 SER B N 1 ATOM 2251 C CA . SER B 1 79 ? 22.394 46.915 111.021 1.00 30.20 ? 457 SER B CA 1 ATOM 2252 C C . SER B 1 79 ? 22.320 45.398 110.905 1.00 27.28 ? 457 SER B C 1 ATOM 2253 O O . SER B 1 79 ? 22.838 44.692 111.768 1.00 31.72 ? 457 SER B O 1 ATOM 2254 C CB . SER B 1 79 ? 21.172 47.438 111.764 1.00 27.21 ? 457 SER B CB 1 ATOM 2255 O OG . SER B 1 79 ? 21.307 48.823 111.962 1.00 32.66 ? 457 SER B OG 1 ATOM 2256 N N . VAL B 1 80 ? 21.685 44.895 109.848 1.00 23.51 ? 458 VAL B N 1 ATOM 2257 C CA . VAL B 1 80 ? 21.564 43.444 109.669 1.00 24.53 ? 458 VAL B CA 1 ATOM 2258 C C . VAL B 1 80 ? 22.927 42.801 109.366 1.00 25.14 ? 458 VAL B C 1 ATOM 2259 O O . VAL B 1 80 ? 23.068 41.581 109.449 1.00 24.96 ? 458 VAL B O 1 ATOM 2260 C CB . VAL B 1 80 ? 20.513 43.054 108.608 1.00 26.73 ? 458 VAL B CB 1 ATOM 2261 C CG1 . VAL B 1 80 ? 19.143 43.580 109.017 1.00 25.53 ? 458 VAL B CG1 1 ATOM 2262 C CG2 . VAL B 1 80 ? 20.912 43.563 107.216 1.00 26.67 ? 458 VAL B CG2 1 ATOM 2263 N N . SER B 1 81 ? 23.917 43.633 109.032 1.00 25.89 ? 459 SER B N 1 ATOM 2264 C CA . SER B 1 81 ? 25.294 43.179 108.789 1.00 26.65 ? 459 SER B CA 1 ATOM 2265 C C . SER B 1 81 ? 25.264 42.017 107.773 1.00 27.06 ? 459 SER B C 1 ATOM 2266 O O . SER B 1 81 ? 24.590 42.138 106.741 1.00 27.18 ? 459 SER B O 1 ATOM 2267 C CB . SER B 1 81 ? 25.989 42.821 110.119 1.00 27.81 ? 459 SER B CB 1 ATOM 2268 O OG . SER B 1 81 ? 27.377 42.590 109.940 1.00 32.94 ? 459 SER B OG 1 ATOM 2269 N N . SER B 1 82 ? 25.939 40.900 108.052 1.00 23.41 ? 460 SER B N 1 ATOM 2270 C CA . SER B 1 82 ? 26.033 39.822 107.062 1.00 24.09 ? 460 SER B CA 1 ATOM 2271 C C . SER B 1 82 ? 24.721 39.071 106.793 1.00 24.31 ? 460 SER B C 1 ATOM 2272 O O . SER B 1 82 ? 24.699 38.162 105.952 1.00 26.61 ? 460 SER B O 1 ATOM 2273 C CB . SER B 1 82 ? 27.152 38.835 107.400 1.00 24.80 ? 460 SER B CB 1 ATOM 2274 O OG . SER B 1 82 ? 28.423 39.447 107.283 1.00 27.15 ? 460 SER B OG 1 ATOM 2275 N N . ALA B 1 83 ? 23.636 39.433 107.484 1.00 25.50 ? 461 ALA B N 1 ATOM 2276 C CA . ALA B 1 83 ? 22.307 38.927 107.095 1.00 27.62 ? 461 ALA B CA 1 ATOM 2277 C C . ALA B 1 83 ? 21.736 39.682 105.900 1.00 26.40 ? 461 ALA B C 1 ATOM 2278 O O . ALA B 1 83 ? 20.701 39.296 105.359 1.00 31.05 ? 461 ALA B O 1 ATOM 2279 C CB . ALA B 1 83 ? 21.316 38.955 108.266 1.00 25.93 ? 461 ALA B CB 1 ATOM 2280 N N . GLY B 1 84 ? 22.385 40.761 105.480 1.00 27.60 ? 462 GLY B N 1 ATOM 2281 C CA . GLY B 1 84 ? 21.844 41.548 104.357 1.00 29.42 ? 462 GLY B CA 1 ATOM 2282 C C . GLY B 1 84 ? 22.822 41.812 103.224 1.00 27.97 ? 462 GLY B C 1 ATOM 2283 O O . GLY B 1 84 ? 24.021 41.642 103.406 1.00 26.51 ? 462 GLY B O 1 ATOM 2284 N N . PRO B 1 85 ? 22.307 42.257 102.054 1.00 30.47 ? 463 PRO B N 1 ATOM 2285 C CA . PRO B 1 85 ? 23.108 42.477 100.844 1.00 28.01 ? 463 PRO B CA 1 ATOM 2286 C C . PRO B 1 85 ? 24.269 43.464 100.996 1.00 26.35 ? 463 PRO B C 1 ATOM 2287 O O . PRO B 1 85 ? 25.302 43.275 100.350 1.00 26.73 ? 463 PRO B O 1 ATOM 2288 C CB . PRO B 1 85 ? 22.081 42.993 99.815 1.00 29.20 ? 463 PRO B CB 1 ATOM 2289 C CG . PRO B 1 85 ? 20.896 43.423 100.619 1.00 33.18 ? 463 PRO B CG 1 ATOM 2290 C CD . PRO B 1 85 ? 20.870 42.494 101.801 1.00 32.11 ? 463 PRO B CD 1 ATOM 2291 N N . ILE B 1 86 ? 24.117 44.492 101.834 1.00 24.51 ? 464 ILE B N 1 ATOM 2292 C CA . ILE B 1 86 ? 25.182 45.504 101.971 1.00 24.65 ? 464 ILE B CA 1 ATOM 2293 C C . ILE B 1 86 ? 26.507 44.916 102.472 1.00 25.48 ? 464 ILE B C 1 ATOM 2294 O O . ILE B 1 86 ? 27.549 45.097 101.835 1.00 27.74 ? 464 ILE B O 1 ATOM 2295 C CB . ILE B 1 86 ? 24.761 46.720 102.832 1.00 25.62 ? 464 ILE B CB 1 ATOM 2296 C CG1 . ILE B 1 86 ? 23.519 47.426 102.243 1.00 28.94 ? 464 ILE B CG1 1 ATOM 2297 C CG2 . ILE B 1 86 ? 25.933 47.692 102.987 1.00 24.07 ? 464 ILE B CG2 1 ATOM 2298 C CD1 . ILE B 1 86 ? 23.663 47.901 100.796 1.00 25.39 ? 464 ILE B CD1 1 ATOM 2299 N N . SER B 1 87 ? 26.475 44.213 103.602 1.00 25.03 ? 465 SER B N 1 ATOM 2300 C CA . SER B 1 87 ? 27.694 43.585 104.110 1.00 27.43 ? 465 SER B CA 1 ATOM 2301 C C . SER B 1 87 ? 28.057 42.308 103.352 1.00 26.94 ? 465 SER B C 1 ATOM 2302 O O . SER B 1 87 ? 29.230 41.930 103.314 1.00 27.67 ? 465 SER B O 1 ATOM 2303 C CB . SER B 1 87 ? 27.592 43.294 105.601 1.00 29.02 ? 465 SER B CB 1 ATOM 2304 O OG . SER B 1 87 ? 27.556 44.502 106.334 1.00 33.05 ? 465 SER B OG 1 ATOM 2305 N N . GLN B 1 88 ? 27.067 41.644 102.759 1.00 25.43 ? 466 GLN B N 1 ATOM 2306 C CA . GLN B 1 88 ? 27.348 40.456 101.931 1.00 24.70 ? 466 GLN B CA 1 ATOM 2307 C C . GLN B 1 88 ? 28.113 40.809 100.655 1.00 24.92 ? 466 GLN B C 1 ATOM 2308 O O . GLN B 1 88 ? 29.147 40.197 100.365 1.00 26.45 ? 466 GLN B O 1 ATOM 2309 C CB . GLN B 1 88 ? 26.064 39.716 101.562 1.00 24.63 ? 466 GLN B CB 1 ATOM 2310 C CG . GLN B 1 88 ? 25.438 38.934 102.709 1.00 28.07 ? 466 GLN B CG 1 ATOM 2311 C CD . GLN B 1 88 ? 23.969 38.630 102.460 1.00 33.59 ? 466 GLN B CD 1 ATOM 2312 O OE1 . GLN B 1 88 ? 23.396 39.044 101.450 1.00 34.91 ? 466 GLN B OE1 1 ATOM 2313 N NE2 . GLN B 1 88 ? 23.350 37.915 103.386 1.00 34.67 ? 466 GLN B NE2 1 ATOM 2314 N N . PHE B 1 89 ? 27.629 41.812 99.916 1.00 25.89 ? 467 PHE B N 1 ATOM 2315 C CA . PHE B 1 89 ? 28.090 42.045 98.540 1.00 26.75 ? 467 PHE B CA 1 ATOM 2316 C C . PHE B 1 89 ? 28.708 43.406 98.209 1.00 26.40 ? 467 PHE B C 1 ATOM 2317 O O . PHE B 1 89 ? 29.237 43.570 97.115 1.00 32.68 ? 467 PHE B O 1 ATOM 2318 C CB . PHE B 1 89 ? 26.938 41.798 97.561 1.00 26.72 ? 467 PHE B CB 1 ATOM 2319 C CG . PHE B 1 89 ? 26.247 40.479 97.749 1.00 29.49 ? 467 PHE B CG 1 ATOM 2320 C CD1 . PHE B 1 89 ? 26.930 39.288 97.556 1.00 30.94 ? 467 PHE B CD1 1 ATOM 2321 C CD2 . PHE B 1 89 ? 24.894 40.429 98.090 1.00 30.82 ? 467 PHE B CD2 1 ATOM 2322 C CE1 . PHE B 1 89 ? 26.287 38.062 97.721 1.00 30.46 ? 467 PHE B CE1 1 ATOM 2323 C CE2 . PHE B 1 89 ? 24.241 39.211 98.251 1.00 30.68 ? 467 PHE B CE2 1 ATOM 2324 C CZ . PHE B 1 89 ? 24.940 38.024 98.068 1.00 29.81 ? 467 PHE B CZ 1 ATOM 2325 N N . ASN B 1 90 ? 28.640 44.373 99.121 1.00 24.09 ? 468 ASN B N 1 ATOM 2326 C CA . ASN B 1 90 ? 29.011 45.767 98.809 1.00 24.47 ? 468 ASN B CA 1 ATOM 2327 C C . ASN B 1 90 ? 30.168 46.358 99.619 1.00 26.46 ? 468 ASN B C 1 ATOM 2328 O O . ASN B 1 90 ? 31.172 46.807 99.051 1.00 29.37 ? 468 ASN B O 1 ATOM 2329 C CB . ASN B 1 90 ? 27.795 46.693 98.955 1.00 23.56 ? 468 ASN B CB 1 ATOM 2330 C CG . ASN B 1 90 ? 26.683 46.357 97.983 1.00 24.03 ? 468 ASN B CG 1 ATOM 2331 O OD1 . ASN B 1 90 ? 26.543 47.008 96.948 1.00 25.62 ? 468 ASN B OD1 1 ATOM 2332 N ND2 . ASN B 1 90 ? 25.889 45.326 98.305 1.00 23.05 ? 468 ASN B ND2 1 ATOM 2333 N N . TYR B 1 91 ? 30.003 46.398 100.938 1.00 26.55 ? 469 TYR B N 1 ATOM 2334 C CA . TYR B 1 91 ? 30.956 47.069 101.818 1.00 26.58 ? 469 TYR B CA 1 ATOM 2335 C C . TYR B 1 91 ? 30.961 46.416 103.195 1.00 24.61 ? 469 TYR B C 1 ATOM 2336 O O . TYR B 1 91 ? 29.928 46.321 103.837 1.00 25.47 ? 469 TYR B O 1 ATOM 2337 C CB . TYR B 1 91 ? 30.562 48.532 101.957 1.00 24.25 ? 469 TYR B CB 1 ATOM 2338 C CG . TYR B 1 91 ? 31.499 49.349 102.826 1.00 26.52 ? 469 TYR B CG 1 ATOM 2339 C CD1 . TYR B 1 91 ? 32.817 49.584 102.432 1.00 29.01 ? 469 TYR B CD1 1 ATOM 2340 C CD2 . TYR B 1 91 ? 31.062 49.904 104.035 1.00 26.81 ? 469 TYR B CD2 1 ATOM 2341 C CE1 . TYR B 1 91 ? 33.680 50.340 103.220 1.00 29.79 ? 469 TYR B CE1 1 ATOM 2342 C CE2 . TYR B 1 91 ? 31.921 50.667 104.831 1.00 24.41 ? 469 TYR B CE2 1 ATOM 2343 C CZ . TYR B 1 91 ? 33.227 50.878 104.413 1.00 26.46 ? 469 TYR B CZ 1 ATOM 2344 O OH . TYR B 1 91 ? 34.104 51.626 105.174 1.00 28.00 ? 469 TYR B OH 1 ATOM 2345 N N . LYS B 1 92 ? 32.121 45.973 103.656 1.00 26.59 ? 470 LYS B N 1 ATOM 2346 C CA . LYS B 1 92 ? 32.203 45.330 104.968 1.00 28.64 ? 470 LYS B CA 1 ATOM 2347 C C . LYS B 1 92 ? 33.536 45.708 105.579 1.00 25.10 ? 470 LYS B C 1 ATOM 2348 O O . LYS B 1 92 ? 34.585 45.422 105.014 1.00 29.59 ? 470 LYS B O 1 ATOM 2349 C CB . LYS B 1 92 ? 32.017 43.793 104.888 1.00 29.29 ? 470 LYS B CB 1 ATOM 2350 C CG . LYS B 1 92 ? 31.847 43.125 106.271 1.00 31.96 ? 470 LYS B CG 1 ATOM 2351 C CD . LYS B 1 92 ? 31.580 41.612 106.224 1.00 32.94 ? 470 LYS B CD 1 ATOM 2352 C CE . LYS B 1 92 ? 32.839 40.803 105.928 1.00 30.80 ? 470 LYS B CE 1 ATOM 2353 N NZ . LYS B 1 92 ? 32.557 39.342 105.746 1.00 28.16 ? 470 LYS B NZ 1 ATOM 2354 N N . GLN B 1 93 ? 33.490 46.384 106.715 1.00 24.61 ? 471 GLN B N 1 ATOM 2355 C CA . GLN B 1 93 ? 34.707 46.896 107.337 1.00 29.16 ? 471 GLN B CA 1 ATOM 2356 C C . GLN B 1 93 ? 35.509 45.824 108.058 1.00 27.87 ? 471 GLN B C 1 ATOM 2357 O O . GLN B 1 93 ? 34.984 44.760 108.393 1.00 27.98 ? 471 GLN B O 1 ATOM 2358 C CB . GLN B 1 93 ? 34.382 48.045 108.293 1.00 31.13 ? 471 GLN B CB 1 ATOM 2359 C CG . GLN B 1 93 ? 34.014 49.331 107.561 1.00 30.91 ? 471 GLN B CG 1 ATOM 2360 C CD . GLN B 1 93 ? 33.487 50.380 108.501 1.00 30.78 ? 471 GLN B CD 1 ATOM 2361 O OE1 . GLN B 1 93 ? 32.443 50.198 109.128 1.00 34.13 ? 471 GLN B OE1 1 ATOM 2362 N NE2 . GLN B 1 93 ? 34.211 51.479 108.617 1.00 29.97 ? 471 GLN B NE2 1 ATOM 2363 N N . SER B 1 94 ? 36.782 46.143 108.298 1.00 30.36 ? 472 SER B N 1 ATOM 2364 C CA . SER B 1 94 ? 37.732 45.280 108.982 1.00 30.97 ? 472 SER B CA 1 ATOM 2365 C C . SER B 1 94 ? 37.177 44.695 110.273 1.00 32.63 ? 472 SER B C 1 ATOM 2366 O O . SER B 1 94 ? 36.492 45.384 111.030 1.00 30.35 ? 472 SER B O 1 ATOM 2367 C CB . SER B 1 94 ? 39.010 46.080 109.278 1.00 36.15 ? 472 SER B CB 1 ATOM 2368 O OG . SER B 1 94 ? 39.853 45.408 110.190 1.00 35.65 ? 472 SER B OG 1 ATOM 2369 N N . PHE B 1 95 ? 37.472 43.419 110.511 1.00 33.29 ? 473 PHE B N 1 ATOM 2370 C CA . PHE B 1 95 ? 37.135 42.776 111.782 1.00 39.99 ? 473 PHE B CA 1 ATOM 2371 C C . PHE B 1 95 ? 38.253 42.973 112.823 1.00 40.03 ? 473 PHE B C 1 ATOM 2372 O O . PHE B 1 95 ? 38.041 42.773 114.015 1.00 42.23 ? 473 PHE B O 1 ATOM 2373 C CB . PHE B 1 95 ? 36.855 41.268 111.592 1.00 41.66 ? 473 PHE B CB 1 ATOM 2374 C CG . PHE B 1 95 ? 35.563 40.952 110.864 1.00 43.08 ? 473 PHE B CG 1 ATOM 2375 C CD1 . PHE B 1 95 ? 34.594 41.938 110.630 1.00 46.51 ? 473 PHE B CD1 1 ATOM 2376 C CD2 . PHE B 1 95 ? 35.301 39.652 110.433 1.00 39.80 ? 473 PHE B CD2 1 ATOM 2377 C CE1 . PHE B 1 95 ? 33.412 41.631 109.974 1.00 41.31 ? 473 PHE B CE1 1 ATOM 2378 C CE2 . PHE B 1 95 ? 34.119 39.342 109.771 1.00 33.44 ? 473 PHE B CE2 1 ATOM 2379 C CZ . PHE B 1 95 ? 33.170 40.332 109.554 1.00 36.54 ? 473 PHE B CZ 1 ATOM 2380 N N . SER B 1 96 ? 39.439 43.379 112.381 1.00 32.10 ? 474 SER B N 1 ATOM 2381 C CA . SER B 1 96 ? 40.602 43.307 113.255 1.00 35.39 ? 474 SER B CA 1 ATOM 2382 C C . SER B 1 96 ? 41.169 44.665 113.667 1.00 35.73 ? 474 SER B C 1 ATOM 2383 O O . SER B 1 96 ? 42.217 44.729 114.302 1.00 39.10 ? 474 SER B O 1 ATOM 2384 C CB . SER B 1 96 ? 41.689 42.458 112.598 1.00 39.30 ? 474 SER B CB 1 ATOM 2385 O OG . SER B 1 96 ? 42.126 43.083 111.407 1.00 47.17 ? 474 SER B OG 1 ATOM 2386 N N . ASN B 1 97 ? 40.493 45.742 113.286 1.00 28.41 ? 475 ASN B N 1 ATOM 2387 C CA . ASN B 1 97 ? 40.893 47.091 113.675 1.00 27.44 ? 475 ASN B CA 1 ATOM 2388 C C . ASN B 1 97 ? 39.650 47.835 114.129 1.00 24.97 ? 475 ASN B C 1 ATOM 2389 O O . ASN B 1 97 ? 38.546 47.475 113.711 1.00 29.25 ? 475 ASN B O 1 ATOM 2390 C CB . ASN B 1 97 ? 41.524 47.814 112.487 1.00 30.30 ? 475 ASN B CB 1 ATOM 2391 C CG . ASN B 1 97 ? 42.905 47.293 112.158 1.00 36.18 ? 475 ASN B CG 1 ATOM 2392 O OD1 . ASN B 1 97 ? 43.851 47.457 112.933 1.00 38.81 ? 475 ASN B OD1 1 ATOM 2393 N ND2 . ASN B 1 97 ? 43.031 46.656 111.002 1.00 38.88 ? 475 ASN B ND2 1 ATOM 2394 N N . PRO B 1 98 ? 39.805 48.859 114.995 1.00 22.80 ? 476 PRO B N 1 ATOM 2395 C CA . PRO B 1 98 ? 38.627 49.646 115.344 1.00 22.19 ? 476 PRO B CA 1 ATOM 2396 C C . PRO B 1 98 ? 38.062 50.367 114.116 1.00 22.67 ? 476 PRO B C 1 ATOM 2397 O O . PRO B 1 98 ? 38.829 50.810 113.246 1.00 22.76 ? 476 PRO B O 1 ATOM 2398 C CB . PRO B 1 98 ? 39.165 50.654 116.358 1.00 20.46 ? 476 PRO B CB 1 ATOM 2399 C CG . PRO B 1 98 ? 40.353 49.997 116.952 1.00 23.58 ? 476 PRO B CG 1 ATOM 2400 C CD . PRO B 1 98 ? 40.976 49.233 115.811 1.00 21.54 ? 476 PRO B CD 1 ATOM 2401 N N . THR B 1 99 ? 36.734 50.459 114.043 1.00 22.91 ? 477 THR B N 1 ATOM 2402 C CA . THR B 1 99 ? 36.052 51.080 112.912 1.00 25.16 ? 477 THR B CA 1 ATOM 2403 C C . THR B 1 99 ? 34.892 51.950 113.395 1.00 27.92 ? 477 THR B C 1 ATOM 2404 O O . THR B 1 99 ? 34.359 51.723 114.486 1.00 28.16 ? 477 THR B O 1 ATOM 2405 C CB . THR B 1 99 ? 35.460 50.012 111.962 1.00 25.33 ? 477 THR B CB 1 ATOM 2406 O OG1 . THR B 1 99 ? 34.569 49.165 112.692 1.00 27.09 ? 477 THR B OG1 1 ATOM 2407 C CG2 . THR B 1 99 ? 36.557 49.150 111.302 1.00 21.98 ? 477 THR B CG2 1 ATOM 2408 N N . CYS B 1 100 ? 34.515 52.952 112.596 1.00 27.05 ? 478 CYS B N 1 ATOM 2409 C CA . CYS B 1 100 ? 33.236 53.640 112.776 1.00 28.04 ? 478 CYS B CA 1 ATOM 2410 C C . CYS B 1 100 ? 32.526 53.739 111.430 1.00 26.48 ? 478 CYS B C 1 ATOM 2411 O O . CYS B 1 100 ? 33.150 53.686 110.362 1.00 26.90 ? 478 CYS B O 1 ATOM 2412 C CB . CYS B 1 100 ? 33.377 55.043 113.395 1.00 34.09 ? 478 CYS B CB 1 ATOM 2413 S SG . CYS B 1 100 ? 34.162 55.102 115.030 1.00 44.90 ? 478 CYS B SG 1 ATOM 2414 N N . LEU B 1 101 ? 31.212 53.861 111.495 1.00 24.14 ? 479 LEU B N 1 ATOM 2415 C CA . LEU B 1 101 ? 30.407 54.073 110.319 1.00 28.81 ? 479 LEU B CA 1 ATOM 2416 C C . LEU B 1 101 ? 29.489 55.254 110.617 1.00 29.27 ? 479 LEU B C 1 ATOM 2417 O O . LEU B 1 101 ? 28.785 55.258 111.626 1.00 27.41 ? 479 LEU B O 1 ATOM 2418 C CB . LEU B 1 101 ? 29.608 52.815 109.976 1.00 31.07 ? 479 LEU B CB 1 ATOM 2419 C CG . LEU B 1 101 ? 28.820 52.828 108.667 1.00 40.38 ? 479 LEU B CG 1 ATOM 2420 C CD1 . LEU B 1 101 ? 29.744 53.010 107.476 1.00 42.97 ? 479 LEU B CD1 1 ATOM 2421 C CD2 . LEU B 1 101 ? 28.056 51.521 108.546 1.00 47.71 ? 479 LEU B CD2 1 ATOM 2422 N N . ILE B 1 102 ? 29.538 56.255 109.742 1.00 29.01 ? 480 ILE B N 1 ATOM 2423 C CA . ILE B 1 102 ? 28.823 57.513 109.923 1.00 31.02 ? 480 ILE B CA 1 ATOM 2424 C C . ILE B 1 102 ? 27.847 57.726 108.775 1.00 29.79 ? 480 ILE B C 1 ATOM 2425 O O . ILE B 1 102 ? 28.221 57.632 107.603 1.00 31.57 ? 480 ILE B O 1 ATOM 2426 C CB . ILE B 1 102 ? 29.804 58.707 110.004 1.00 34.29 ? 480 ILE B CB 1 ATOM 2427 C CG1 . ILE B 1 102 ? 30.677 58.588 111.257 1.00 35.60 ? 480 ILE B CG1 1 ATOM 2428 C CG2 . ILE B 1 102 ? 29.050 60.035 110.034 1.00 37.40 ? 480 ILE B CG2 1 ATOM 2429 C CD1 . ILE B 1 102 ? 31.966 59.386 111.195 1.00 40.74 ? 480 ILE B CD1 1 ATOM 2430 N N . LEU B 1 103 ? 26.594 58.003 109.123 1.00 28.67 ? 481 LEU B N 1 ATOM 2431 C CA . LEU B 1 103 ? 25.586 58.370 108.150 1.00 29.77 ? 481 LEU B CA 1 ATOM 2432 C C . LEU B 1 103 ? 25.296 59.863 108.283 1.00 37.43 ? 481 LEU B C 1 ATOM 2433 O O . LEU B 1 103 ? 24.994 60.346 109.381 1.00 36.16 ? 481 LEU B O 1 ATOM 2434 C CB . LEU B 1 103 ? 24.315 57.554 108.357 1.00 27.80 ? 481 LEU B CB 1 ATOM 2435 C CG . LEU B 1 103 ? 24.435 56.030 108.227 1.00 31.59 ? 481 LEU B CG 1 ATOM 2436 C CD1 . LEU B 1 103 ? 23.052 55.410 108.230 1.00 32.71 ? 481 LEU B CD1 1 ATOM 2437 C CD2 . LEU B 1 103 ? 25.200 55.619 106.968 1.00 28.46 ? 481 LEU B CD2 1 ATOM 2438 N N . ALA B 1 104 ? 25.402 60.589 107.171 1.00 34.75 ? 482 ALA B N 1 ATOM 2439 C CA . ALA B 1 104 ? 25.224 62.033 107.188 1.00 37.72 ? 482 ALA B CA 1 ATOM 2440 C C . ALA B 1 104 ? 24.432 62.535 105.977 1.00 38.84 ? 482 ALA B C 1 ATOM 2441 O O . ALA B 1 104 ? 24.377 61.880 104.935 1.00 38.28 ? 482 ALA B O 1 ATOM 2442 C CB . ALA B 1 104 ? 26.583 62.741 107.295 1.00 35.14 ? 482 ALA B CB 1 ATOM 2443 N N . THR B 1 105 ? 23.800 63.691 106.139 1.00 39.59 ? 483 THR B N 1 ATOM 2444 C CA . THR B 1 105 ? 23.082 64.348 105.055 1.00 39.79 ? 483 THR B CA 1 ATOM 2445 C C . THR B 1 105 ? 23.886 65.574 104.645 1.00 41.97 ? 483 THR B C 1 ATOM 2446 O O . THR B 1 105 ? 24.409 66.292 105.497 1.00 43.72 ? 483 THR B O 1 ATOM 2447 C CB . THR B 1 105 ? 21.658 64.743 105.498 1.00 42.76 ? 483 THR B CB 1 ATOM 2448 O OG1 . THR B 1 105 ? 20.960 63.570 105.936 1.00 40.63 ? 483 THR B OG1 1 ATOM 2449 C CG2 . THR B 1 105 ? 20.869 65.386 104.357 1.00 43.86 ? 483 THR B CG2 1 ATOM 2450 N N . VAL B 1 106 ? 24.005 65.790 103.339 1.00 39.33 ? 484 VAL B N 1 ATOM 2451 C CA . VAL B 1 106 ? 24.729 66.934 102.795 1.00 43.66 ? 484 VAL B CA 1 ATOM 2452 C C . VAL B 1 106 ? 23.832 68.162 102.939 1.00 46.62 ? 484 VAL B C 1 ATOM 2453 O O . VAL B 1 106 ? 22.714 68.164 102.433 1.00 44.88 ? 484 VAL B O 1 ATOM 2454 C CB . VAL B 1 106 ? 25.092 66.730 101.302 1.00 44.49 ? 484 VAL B CB 1 ATOM 2455 C CG1 . VAL B 1 106 ? 25.805 67.956 100.743 1.00 49.82 ? 484 VAL B CG1 1 ATOM 2456 C CG2 . VAL B 1 106 ? 25.946 65.484 101.112 1.00 41.66 ? 484 VAL B CG2 1 ATOM 2457 N N . PRO B 1 107 ? 24.308 69.198 103.654 1.00 51.45 ? 485 PRO B N 1 ATOM 2458 C CA . PRO B 1 107 ? 23.501 70.405 103.830 1.00 56.08 ? 485 PRO B CA 1 ATOM 2459 C C . PRO B 1 107 ? 23.401 71.217 102.540 1.00 54.93 ? 485 PRO B C 1 ATOM 2460 O O . PRO B 1 107 ? 24.277 71.127 101.675 1.00 52.65 ? 485 PRO B O 1 ATOM 2461 C CB . PRO B 1 107 ? 24.275 71.200 104.895 1.00 59.02 ? 485 PRO B CB 1 ATOM 2462 C CG . PRO B 1 107 ? 25.252 70.234 105.484 1.00 56.90 ? 485 PRO B CG 1 ATOM 2463 C CD . PRO B 1 107 ? 25.589 69.300 104.366 1.00 49.25 ? 485 PRO B CD 1 ATOM 2464 N N . HIS B 1 108 ? 22.340 72.007 102.416 1.00 59.72 ? 486 HIS B N 1 ATOM 2465 C CA . HIS B 1 108 ? 22.190 72.894 101.263 1.00 61.44 ? 486 HIS B CA 1 ATOM 2466 C C . HIS B 1 108 ? 23.412 73.800 101.071 1.00 57.04 ? 486 HIS B C 1 ATOM 2467 O O . HIS B 1 108 ? 23.798 74.079 99.935 1.00 62.48 ? 486 HIS B O 1 ATOM 2468 C CB . HIS B 1 108 ? 20.899 73.703 101.373 1.00 57.05 ? 486 HIS B CB 1 ATOM 2469 C CG . HIS B 1 108 ? 19.656 72.881 101.202 1.00 62.63 ? 486 HIS B CG 1 ATOM 2470 N ND1 . HIS B 1 108 ? 18.696 72.764 102.186 1.00 69.15 ? 486 HIS B ND1 1 ATOM 2471 C CD2 . HIS B 1 108 ? 19.218 72.129 100.161 1.00 62.45 ? 486 HIS B CD2 1 ATOM 2472 C CE1 . HIS B 1 108 ? 17.720 71.982 101.758 1.00 72.66 ? 486 HIS B CE1 1 ATOM 2473 N NE2 . HIS B 1 108 ? 18.012 71.584 100.531 1.00 59.14 ? 486 HIS B NE2 1 ATOM 2474 N N . ASN B 1 109 ? 24.028 74.215 102.183 1.00 62.25 ? 487 ASN B N 1 ATOM 2475 C CA . ASN B 1 109 ? 25.249 75.040 102.185 1.00 68.09 ? 487 ASN B CA 1 ATOM 2476 C C . ASN B 1 109 ? 26.408 74.408 101.415 1.00 67.95 ? 487 ASN B C 1 ATOM 2477 O O . ASN B 1 109 ? 27.258 75.108 100.862 1.00 63.35 ? 487 ASN B O 1 ATOM 2478 C CB . ASN B 1 109 ? 25.752 75.320 103.614 1.00 77.85 ? 487 ASN B CB 1 ATOM 2479 C CG . ASN B 1 109 ? 24.658 75.277 104.671 1.00 81.69 ? 487 ASN B CG 1 ATOM 2480 O OD1 . ASN B 1 109 ? 23.474 75.065 104.382 1.00 81.21 ? 487 ASN B OD1 1 ATOM 2481 N ND2 . ASN B 1 109 ? 25.071 75.482 105.927 1.00 87.98 ? 487 ASN B ND2 1 ATOM 2482 N N . LEU B 1 110 ? 26.456 73.081 101.410 1.00 71.20 ? 488 LEU B N 1 ATOM 2483 C CA . LEU B 1 110 ? 27.543 72.366 100.755 1.00 69.02 ? 488 LEU B CA 1 ATOM 2484 C C . LEU B 1 110 ? 27.168 72.088 99.306 1.00 69.99 ? 488 LEU B C 1 ATOM 2485 O O . LEU B 1 110 ? 26.475 71.114 98.999 1.00 72.70 ? 488 LEU B O 1 ATOM 2486 C CB . LEU B 1 110 ? 27.874 71.081 101.517 1.00 63.71 ? 488 LEU B CB 1 ATOM 2487 C CG . LEU B 1 110 ? 29.273 70.487 101.355 1.00 63.88 ? 488 LEU B CG 1 ATOM 2488 C CD1 . LEU B 1 110 ? 30.359 71.554 101.380 1.00 68.71 ? 488 LEU B CD1 1 ATOM 2489 C CD2 . LEU B 1 110 ? 29.511 69.464 102.456 1.00 66.43 ? 488 LEU B CD2 1 ATOM 2490 N N . THR B 1 111 ? 27.629 72.964 98.422 1.00 68.43 ? 489 THR B N 1 ATOM 2491 C CA . THR B 1 111 ? 27.189 72.971 97.030 1.00 65.64 ? 489 THR B CA 1 ATOM 2492 C C . THR B 1 111 ? 28.188 72.284 96.100 1.00 60.21 ? 489 THR B C 1 ATOM 2493 O O . THR B 1 111 ? 27.874 71.998 94.941 1.00 69.68 ? 489 THR B O 1 ATOM 2494 C CB . THR B 1 111 ? 26.923 74.412 96.534 1.00 67.00 ? 489 THR B CB 1 ATOM 2495 O OG1 . THR B 1 111 ? 28.108 75.209 96.686 1.00 65.18 ? 489 THR B OG1 1 ATOM 2496 C CG2 . THR B 1 111 ? 25.770 75.055 97.316 1.00 59.66 ? 489 THR B CG2 1 ATOM 2497 N N . THR B 1 112 ? 29.383 72.015 96.619 1.00 48.50 ? 490 THR B N 1 ATOM 2498 C CA . THR B 1 112 ? 30.459 71.406 95.837 1.00 53.71 ? 490 THR B CA 1 ATOM 2499 C C . THR B 1 112 ? 30.301 69.881 95.601 1.00 50.52 ? 490 THR B C 1 ATOM 2500 O O . THR B 1 112 ? 31.019 69.286 94.789 1.00 53.98 ? 490 THR B O 1 ATOM 2501 C CB . THR B 1 112 ? 31.817 71.728 96.485 1.00 50.25 ? 490 THR B CB 1 ATOM 2502 O OG1 . THR B 1 112 ? 32.862 71.004 95.822 1.00 64.62 ? 490 THR B OG1 1 ATOM 2503 C CG2 . THR B 1 112 ? 31.799 71.370 97.966 1.00 48.12 ? 490 THR B CG2 1 ATOM 2504 N N . ILE B 1 113 ? 29.367 69.257 96.309 1.00 51.71 ? 491 ILE B N 1 ATOM 2505 C CA . ILE B 1 113 ? 29.118 67.820 96.168 1.00 48.80 ? 491 ILE B CA 1 ATOM 2506 C C . ILE B 1 113 ? 27.886 67.645 95.303 1.00 46.68 ? 491 ILE B C 1 ATOM 2507 O O . ILE B 1 113 ? 26.803 68.101 95.675 1.00 54.51 ? 491 ILE B O 1 ATOM 2508 C CB . ILE B 1 113 ? 28.884 67.140 97.541 1.00 50.17 ? 491 ILE B CB 1 ATOM 2509 C CG1 . ILE B 1 113 ? 30.154 67.189 98.398 1.00 50.29 ? 491 ILE B CG1 1 ATOM 2510 C CG2 . ILE B 1 113 ? 28.422 65.695 97.368 1.00 46.98 ? 491 ILE B CG2 1 ATOM 2511 C CD1 . ILE B 1 113 ? 29.945 66.784 99.847 1.00 45.47 ? 491 ILE B CD1 1 ATOM 2512 N N . THR B 1 114 ? 28.045 66.992 94.153 1.00 45.24 ? 492 THR B N 1 ATOM 2513 C CA . THR B 1 114 ? 26.922 66.807 93.225 1.00 52.38 ? 492 THR B CA 1 ATOM 2514 C C . THR B 1 114 ? 26.206 65.468 93.447 1.00 50.02 ? 492 THR B C 1 ATOM 2515 O O . THR B 1 114 ? 26.836 64.480 93.838 1.00 48.64 ? 492 THR B O 1 ATOM 2516 C CB . THR B 1 114 ? 27.352 66.966 91.747 1.00 58.04 ? 492 THR B CB 1 ATOM 2517 O OG1 . THR B 1 114 ? 28.440 66.084 91.457 1.00 59.12 ? 492 THR B OG1 1 ATOM 2518 C CG2 . THR B 1 114 ? 27.802 68.400 91.465 1.00 70.59 ? 492 THR B CG2 1 ATOM 2519 N N . LYS B 1 115 ? 24.892 65.446 93.213 1.00 45.85 ? 493 LYS B N 1 ATOM 2520 C CA . LYS B 1 115 ? 24.088 64.231 93.402 1.00 44.47 ? 493 LYS B CA 1 ATOM 2521 C C . LYS B 1 115 ? 24.202 63.239 92.234 1.00 46.40 ? 493 LYS B C 1 ATOM 2522 O O . LYS B 1 115 ? 24.246 63.645 91.073 1.00 41.75 ? 493 LYS B O 1 ATOM 2523 C CB . LYS B 1 115 ? 22.617 64.586 93.626 1.00 42.26 ? 493 LYS B CB 1 ATOM 2524 C CG . LYS B 1 115 ? 22.343 65.253 94.968 1.00 41.17 ? 493 LYS B CG 1 ATOM 2525 C CD . LYS B 1 115 ? 21.109 66.137 94.925 1.00 48.87 ? 493 LYS B CD 1 ATOM 2526 C CE . LYS B 1 115 ? 19.835 65.323 94.823 1.00 52.32 ? 493 LYS B CE 1 ATOM 2527 N NZ . LYS B 1 115 ? 18.629 66.168 95.039 1.00 55.38 ? 493 LYS B NZ 1 ATOM 2528 N N . PRO B 1 116 ? 24.266 61.932 92.542 1.00 42.08 ? 494 PRO B N 1 ATOM 2529 C CA . PRO B 1 116 ? 24.044 60.941 91.488 1.00 35.64 ? 494 PRO B CA 1 ATOM 2530 C C . PRO B 1 116 ? 22.556 60.850 91.188 1.00 30.34 ? 494 PRO B C 1 ATOM 2531 O O . PRO B 1 116 ? 21.752 61.447 91.897 1.00 31.65 ? 494 PRO B O 1 ATOM 2532 C CB . PRO B 1 116 ? 24.549 59.626 92.098 1.00 34.44 ? 494 PRO B CB 1 ATOM 2533 C CG . PRO B 1 116 ? 24.601 59.850 93.565 1.00 38.55 ? 494 PRO B CG 1 ATOM 2534 C CD . PRO B 1 116 ? 24.637 61.326 93.834 1.00 41.96 ? 494 PRO B CD 1 ATOM 2535 N N . LEU B 1 117 ? 22.203 60.097 90.154 1.00 33.56 ? 495 LEU B N 1 ATOM 2536 C CA . LEU B 1 117 ? 20.820 59.945 89.696 1.00 33.16 ? 495 LEU B CA 1 ATOM 2537 C C . LEU B 1 117 ? 19.910 59.244 90.718 1.00 33.90 ? 495 LEU B C 1 ATOM 2538 O O . LEU B 1 117 ? 18.705 59.523 90.783 1.00 32.29 ? 495 LEU B O 1 ATOM 2539 C CB . LEU B 1 117 ? 20.843 59.139 88.394 1.00 39.96 ? 495 LEU B CB 1 ATOM 2540 C CG . LEU B 1 117 ? 19.808 59.328 87.297 1.00 45.04 ? 495 LEU B CG 1 ATOM 2541 C CD1 . LEU B 1 117 ? 19.653 60.798 86.919 1.00 46.86 ? 495 LEU B CD1 1 ATOM 2542 C CD2 . LEU B 1 117 ? 20.225 58.483 86.096 1.00 45.28 ? 495 LEU B CD2 1 ATOM 2543 N N . LYS B 1 118 ? 20.497 58.331 91.497 1.00 31.65 ? 496 LYS B N 1 ATOM 2544 C CA . LYS B 1 118 ? 19.782 57.473 92.441 1.00 29.91 ? 496 LYS B CA 1 ATOM 2545 C C . LYS B 1 118 ? 20.820 56.778 93.346 1.00 30.53 ? 496 LYS B C 1 ATOM 2546 O O . LYS B 1 118 ? 22.030 56.918 93.138 1.00 31.43 ? 496 LYS B O 1 ATOM 2547 C CB . LYS B 1 118 ? 18.985 56.403 91.678 1.00 29.69 ? 496 LYS B CB 1 ATOM 2548 C CG . LYS B 1 118 ? 19.875 55.402 90.932 1.00 30.65 ? 496 LYS B CG 1 ATOM 2549 C CD . LYS B 1 118 ? 19.095 54.464 90.019 1.00 31.48 ? 496 LYS B CD 1 ATOM 2550 C CE . LYS B 1 118 ? 18.754 55.115 88.681 1.00 34.33 ? 496 LYS B CE 1 ATOM 2551 N NZ . LYS B 1 118 ? 18.169 54.110 87.745 1.00 33.56 ? 496 LYS B NZ 1 ATOM 2552 N N . TYR B 1 119 ? 20.348 56.032 94.340 1.00 28.62 ? 497 TYR B N 1 ATOM 2553 C CA . TYR B 1 119 ? 21.210 55.143 95.108 1.00 29.17 ? 497 TYR B CA 1 ATOM 2554 C C . TYR B 1 119 ? 21.139 53.748 94.496 1.00 29.16 ? 497 TYR B C 1 ATOM 2555 O O . TYR B 1 119 ? 20.047 53.275 94.145 1.00 30.92 ? 497 TYR B O 1 ATOM 2556 C CB . TYR B 1 119 ? 20.771 55.095 96.585 1.00 28.20 ? 497 TYR B CB 1 ATOM 2557 C CG . TYR B 1 119 ? 20.782 56.444 97.280 1.00 27.09 ? 497 TYR B CG 1 ATOM 2558 C CD1 . TYR B 1 119 ? 21.981 57.025 97.712 1.00 28.32 ? 497 TYR B CD1 1 ATOM 2559 C CD2 . TYR B 1 119 ? 19.596 57.146 97.492 1.00 29.65 ? 497 TYR B CD2 1 ATOM 2560 C CE1 . TYR B 1 119 ? 21.991 58.260 98.351 1.00 28.52 ? 497 TYR B CE1 1 ATOM 2561 C CE2 . TYR B 1 119 ? 19.592 58.384 98.123 1.00 27.32 ? 497 TYR B CE2 1 ATOM 2562 C CZ . TYR B 1 119 ? 20.786 58.936 98.546 1.00 27.70 ? 497 TYR B CZ 1 ATOM 2563 O OH . TYR B 1 119 ? 20.768 60.151 99.178 1.00 28.14 ? 497 TYR B OH 1 ATOM 2564 N N . SER B 1 120 ? 22.302 53.109 94.356 1.00 28.94 ? 498 SER B N 1 ATOM 2565 C CA . SER B 1 120 ? 22.405 51.748 93.818 1.00 29.31 ? 498 SER B CA 1 ATOM 2566 C C . SER B 1 120 ? 23.183 50.839 94.771 1.00 25.79 ? 498 SER B C 1 ATOM 2567 O O . SER B 1 120 ? 24.114 51.286 95.446 1.00 26.47 ? 498 SER B O 1 ATOM 2568 C CB . SER B 1 120 ? 23.137 51.738 92.466 1.00 31.26 ? 498 SER B CB 1 ATOM 2569 O OG . SER B 1 120 ? 22.470 52.528 91.517 1.00 37.32 ? 498 SER B OG 1 ATOM 2570 N N . TYR B 1 121 ? 22.823 49.561 94.787 1.00 23.36 ? 499 TYR B N 1 ATOM 2571 C CA . TYR B 1 121 ? 23.600 48.557 95.519 1.00 25.31 ? 499 TYR B CA 1 ATOM 2572 C C . TYR B 1 121 ? 23.484 47.194 94.855 1.00 25.78 ? 499 TYR B C 1 ATOM 2573 O O . TYR B 1 121 ? 22.556 46.951 94.085 1.00 27.89 ? 499 TYR B O 1 ATOM 2574 C CB . TYR B 1 121 ? 23.215 48.501 97.011 1.00 22.03 ? 499 TYR B CB 1 ATOM 2575 C CG . TYR B 1 121 ? 21.809 48.001 97.316 1.00 25.92 ? 499 TYR B CG 1 ATOM 2576 C CD1 . TYR B 1 121 ? 20.727 48.883 97.344 1.00 26.30 ? 499 TYR B CD1 1 ATOM 2577 C CD2 . TYR B 1 121 ? 21.571 46.650 97.618 1.00 27.43 ? 499 TYR B CD2 1 ATOM 2578 C CE1 . TYR B 1 121 ? 19.450 48.437 97.638 1.00 29.39 ? 499 TYR B CE1 1 ATOM 2579 C CE2 . TYR B 1 121 ? 20.293 46.194 97.912 1.00 26.62 ? 499 TYR B CE2 1 ATOM 2580 C CZ . TYR B 1 121 ? 19.240 47.092 97.925 1.00 31.30 ? 499 TYR B CZ 1 ATOM 2581 O OH . TYR B 1 121 ? 17.972 46.664 98.215 1.00 36.69 ? 499 TYR B OH 1 ATOM 2582 N N . ILE B 1 122 ? 24.447 46.326 95.145 1.00 24.97 ? 500 ILE B N 1 ATOM 2583 C CA . ILE B 1 122 ? 24.464 44.951 94.648 1.00 25.70 ? 500 ILE B CA 1 ATOM 2584 C C . ILE B 1 122 ? 23.616 44.084 95.593 1.00 27.87 ? 500 ILE B C 1 ATOM 2585 O O . ILE B 1 122 ? 23.867 44.041 96.803 1.00 28.11 ? 500 ILE B O 1 ATOM 2586 C CB . ILE B 1 122 ? 25.930 44.447 94.554 1.00 24.88 ? 500 ILE B CB 1 ATOM 2587 C CG1 . ILE B 1 122 ? 26.724 45.309 93.553 1.00 25.61 ? 500 ILE B CG1 1 ATOM 2588 C CG2 . ILE B 1 122 ? 26.010 42.980 94.157 1.00 20.49 ? 500 ILE B CG2 1 ATOM 2589 C CD1 . ILE B 1 122 ? 28.213 45.002 93.522 1.00 26.57 ? 500 ILE B CD1 1 ATOM 2590 N N . ASN B 1 123 ? 22.591 43.431 95.052 1.00 29.35 ? 501 ASN B N 1 ATOM 2591 C CA . ASN B 1 123 ? 21.725 42.566 95.858 1.00 30.76 ? 501 ASN B CA 1 ATOM 2592 C C . ASN B 1 123 ? 22.096 41.085 95.750 1.00 32.33 ? 501 ASN B C 1 ATOM 2593 O O . ASN B 1 123 ? 21.567 40.251 96.484 1.00 35.26 ? 501 ASN B O 1 ATOM 2594 C CB . ASN B 1 123 ? 20.247 42.781 95.509 1.00 33.86 ? 501 ASN B CB 1 ATOM 2595 C CG . ASN B 1 123 ? 19.895 42.303 94.098 1.00 38.94 ? 501 ASN B CG 1 ATOM 2596 O OD1 . ASN B 1 123 ? 20.114 41.144 93.752 1.00 36.51 ? 501 ASN B OD1 1 ATOM 2597 N ND2 . ASN B 1 123 ? 19.335 43.196 93.284 1.00 38.67 ? 501 ASN B ND2 1 ATOM 2598 N N . LYS B 1 124 ? 23.007 40.767 94.831 1.00 32.27 ? 502 LYS B N 1 ATOM 2599 C CA . LYS B 1 124 ? 23.429 39.386 94.589 1.00 35.86 ? 502 LYS B CA 1 ATOM 2600 C C . LYS B 1 124 ? 24.737 39.361 93.799 1.00 32.93 ? 502 LYS B C 1 ATOM 2601 O O . LYS B 1 124 ? 24.905 40.129 92.864 1.00 31.64 ? 502 LYS B O 1 ATOM 2602 C CB . LYS B 1 124 ? 22.317 38.612 93.846 1.00 43.10 ? 502 LYS B CB 1 ATOM 2603 C CG . LYS B 1 124 ? 22.732 37.276 93.248 1.00 46.80 ? 502 LYS B CG 1 ATOM 2604 C CD . LYS B 1 124 ? 21.528 36.526 92.692 1.00 62.36 ? 502 LYS B CD 1 ATOM 2605 C CE . LYS B 1 124 ? 21.922 35.728 91.462 1.00 73.71 ? 502 LYS B CE 1 ATOM 2606 N NZ . LYS B 1 124 ? 20.844 34.804 91.007 1.00 76.15 ? 502 LYS B NZ 1 ATOM 2607 N N . CYS B 1 125 ? 25.659 38.491 94.202 1.00 33.70 ? 503 CYS B N 1 ATOM 2608 C CA . CYS B 1 125 ? 26.903 38.249 93.475 1.00 35.65 ? 503 CYS B CA 1 ATOM 2609 C C . CYS B 1 125 ? 27.208 36.757 93.617 1.00 39.95 ? 503 CYS B C 1 ATOM 2610 O O . CYS B 1 125 ? 27.292 36.238 94.739 1.00 41.47 ? 503 CYS B O 1 ATOM 2611 C CB . CYS B 1 125 ? 28.037 39.113 94.041 1.00 41.15 ? 503 CYS B CB 1 ATOM 2612 S SG . CYS B 1 125 ? 29.687 38.844 93.322 1.00 47.74 ? 503 CYS B SG 1 ATOM 2613 N N . SER B 1 126 ? 27.344 36.057 92.490 1.00 41.59 ? 504 SER B N 1 ATOM 2614 C CA . SER B 1 126 ? 27.439 34.599 92.516 1.00 43.91 ? 504 SER B CA 1 ATOM 2615 C C . SER B 1 126 ? 28.245 34.030 91.372 1.00 50.42 ? 504 SER B C 1 ATOM 2616 O O . SER B 1 126 ? 28.138 34.491 90.234 1.00 52.22 ? 504 SER B O 1 ATOM 2617 C CB . SER B 1 126 ? 26.043 33.972 92.492 1.00 48.11 ? 504 SER B CB 1 ATOM 2618 O OG . SER B 1 126 ? 25.436 34.011 93.774 1.00 52.97 ? 504 SER B OG 1 ATOM 2619 N N . ARG B 1 127 ? 29.043 33.012 91.673 1.00 52.48 ? 505 ARG B N 1 ATOM 2620 C CA . ARG B 1 127 ? 29.747 32.287 90.628 1.00 58.90 ? 505 ARG B CA 1 ATOM 2621 C C . ARG B 1 127 ? 28.896 31.107 90.201 1.00 69.39 ? 505 ARG B C 1 ATOM 2622 O O . ARG B 1 127 ? 28.440 30.322 91.027 1.00 70.75 ? 505 ARG B O 1 ATOM 2623 C CB . ARG B 1 127 ? 31.132 31.836 91.085 1.00 63.02 ? 505 ARG B CB 1 ATOM 2624 C CG . ARG B 1 127 ? 32.026 31.406 89.940 1.00 75.96 ? 505 ARG B CG 1 ATOM 2625 C CD . ARG B 1 127 ? 33.441 31.121 90.403 1.00 96.67 ? 505 ARG B CD 1 ATOM 2626 N NE . ARG B 1 127 ? 34.195 30.412 89.373 1.00 106.84 ? 505 ARG B NE 1 ATOM 2627 C CZ . ARG B 1 127 ? 35.480 30.084 89.469 1.00 119.33 ? 505 ARG B CZ 1 ATOM 2628 N NH1 . ARG B 1 127 ? 36.181 30.401 90.552 1.00 132.38 ? 505 ARG B NH1 1 ATOM 2629 N NH2 . ARG B 1 127 ? 36.067 29.437 88.473 1.00 126.40 ? 505 ARG B NH2 1 ATOM 2630 N N . LEU B 1 128 ? 28.720 30.946 88.898 1.00 87.04 ? 506 LEU B N 1 ATOM 2631 C CA . LEU B 1 128 ? 28.074 29.745 88.376 1.00 90.51 ? 506 LEU B CA 1 ATOM 2632 C C . LEU B 1 128 ? 29.169 28.928 87.791 1.00 93.06 ? 506 LEU B C 1 ATOM 2633 O O . LEU B 1 128 ? 29.913 29.381 86.946 1.00 89.09 ? 506 LEU B O 1 ATOM 2634 C CB . LEU B 1 128 ? 27.075 30.065 87.289 1.00 94.39 ? 506 LEU B CB 1 ATOM 2635 C CG . LEU B 1 128 ? 25.858 30.860 87.725 1.00 102.55 ? 506 LEU B CG 1 ATOM 2636 C CD1 . LEU B 1 128 ? 24.790 30.834 86.662 1.00 100.44 ? 506 LEU B CD1 1 ATOM 2637 C CD2 . LEU B 1 128 ? 25.338 30.267 89.007 1.00 115.67 ? 506 LEU B CD2 1 ATOM 2638 N N . LEU B 1 129 ? 29.289 27.718 88.283 1.00 91.46 ? 507 LEU B N 1 ATOM 2639 C CA . LEU B 1 129 ? 30.333 26.858 87.811 1.00 114.13 ? 507 LEU B CA 1 ATOM 2640 C C . LEU B 1 129 ? 29.900 26.295 86.463 1.00 116.27 ? 507 LEU B C 1 ATOM 2641 O O . LEU B 1 129 ? 28.756 26.451 86.062 1.00 118.89 ? 507 LEU B O 1 ATOM 2642 C CB . LEU B 1 129 ? 30.670 25.787 88.831 1.00 113.64 ? 507 LEU B CB 1 ATOM 2643 C CG . LEU B 1 129 ? 32.169 25.640 89.053 1.00 111.01 ? 507 LEU B CG 1 ATOM 2644 C CD1 . LEU B 1 129 ? 32.955 25.743 87.751 1.00 107.05 ? 507 LEU B CD1 1 ATOM 2645 C CD2 . LEU B 1 129 ? 32.622 26.676 90.063 1.00 99.17 ? 507 LEU B CD2 1 ATOM 2646 N N . SER B 1 130 ? 30.804 25.638 85.765 1.00 116.52 ? 508 SER B N 1 ATOM 2647 C CA . SER B 1 130 ? 30.553 25.276 84.396 1.00 107.81 ? 508 SER B CA 1 ATOM 2648 C C . SER B 1 130 ? 29.296 24.461 84.311 1.00 110.91 ? 508 SER B C 1 ATOM 2649 O O . SER B 1 130 ? 28.449 24.697 83.460 1.00 106.20 ? 508 SER B O 1 ATOM 2650 C CB . SER B 1 130 ? 31.655 24.336 83.990 1.00 99.44 ? 508 SER B CB 1 ATOM 2651 O OG . SER B 1 130 ? 31.636 23.227 84.860 1.00 91.87 ? 508 SER B OG 1 ATOM 2652 N N . ASP B 1 131 ? 29.156 23.513 85.219 1.00 117.70 ? 509 ASP B N 1 ATOM 2653 C CA . ASP B 1 131 ? 28.160 22.476 85.055 1.00 121.58 ? 509 ASP B CA 1 ATOM 2654 C C . ASP B 1 131 ? 26.766 23.000 84.796 1.00 119.71 ? 509 ASP B C 1 ATOM 2655 O O . ASP B 1 131 ? 26.042 22.466 84.001 1.00 116.28 ? 509 ASP B O 1 ATOM 2656 C CB . ASP B 1 131 ? 28.120 21.582 86.293 1.00 129.89 ? 509 ASP B CB 1 ATOM 2657 C CG . ASP B 1 131 ? 27.670 22.312 87.541 1.00 137.10 ? 509 ASP B CG 1 ATOM 2658 O OD1 . ASP B 1 131 ? 26.913 23.297 87.465 1.00 134.77 ? 509 ASP B OD1 1 ATOM 2659 O OD2 . ASP B 1 131 ? 28.091 21.882 88.626 1.00 123.82 ? 509 ASP B OD2 1 ATOM 2660 N N . ASP B 1 132 ? 26.413 24.061 85.493 1.00 124.99 ? 510 ASP B N 1 ATOM 2661 C CA . ASP B 1 132 ? 25.047 24.532 85.578 1.00 126.77 ? 510 ASP B CA 1 ATOM 2662 C C . ASP B 1 132 ? 24.284 23.776 86.622 1.00 127.53 ? 510 ASP B C 1 ATOM 2663 O O . ASP B 1 132 ? 23.058 23.758 86.620 1.00 114.12 ? 510 ASP B O 1 ATOM 2664 C CB . ASP B 1 132 ? 24.307 24.521 84.250 1.00 124.97 ? 510 ASP B CB 1 ATOM 2665 C CG . ASP B 1 132 ? 23.495 25.785 84.046 1.00 126.46 ? 510 ASP B CG 1 ATOM 2666 O OD1 . ASP B 1 132 ? 22.255 25.690 84.035 1.00 129.07 ? 510 ASP B OD1 1 ATOM 2667 O OD2 . ASP B 1 132 ? 24.099 26.871 83.923 1.00 116.80 ? 510 ASP B OD2 1 ATOM 2668 N N . ARG B 1 133 ? 25.024 23.072 87.460 1.00 137.88 ? 511 ARG B N 1 ATOM 2669 C CA . ARG B 1 133 ? 24.637 22.814 88.830 1.00 145.18 ? 511 ARG B CA 1 ATOM 2670 C C . ARG B 1 133 ? 24.678 24.043 89.775 1.00 141.69 ? 511 ARG B C 1 ATOM 2671 O O . ARG B 1 133 ? 23.764 24.248 90.571 1.00 144.01 ? 511 ARG B O 1 ATOM 2672 C CB . ARG B 1 133 ? 25.509 21.698 89.410 1.00 153.26 ? 511 ARG B CB 1 ATOM 2673 C CG . ARG B 1 133 ? 24.830 20.344 89.460 1.00 152.26 ? 511 ARG B CG 1 ATOM 2674 C CD . ARG B 1 133 ? 24.061 20.158 90.752 1.00 152.93 ? 511 ARG B CD 1 ATOM 2675 N NE . ARG B 1 133 ? 24.845 19.423 91.733 1.00 144.03 ? 511 ARG B NE 1 ATOM 2676 C CZ . ARG B 1 133 ? 24.348 18.895 92.840 1.00 131.34 ? 511 ARG B CZ 1 ATOM 2677 N NH1 . ARG B 1 133 ? 23.059 19.021 93.114 1.00 126.57 ? 511 ARG B NH1 1 ATOM 2678 N NH2 . ARG B 1 133 ? 25.151 18.242 93.673 1.00 122.55 ? 511 ARG B NH2 1 ATOM 2679 N N . THR B 1 134 ? 25.743 24.846 89.692 1.00 123.42 ? 512 THR B N 1 ATOM 2680 C CA . THR B 1 134 ? 26.119 25.682 90.827 1.00 109.71 ? 512 THR B CA 1 ATOM 2681 C C . THR B 1 134 ? 26.024 27.182 90.733 1.00 105.70 ? 512 THR B C 1 ATOM 2682 O O . THR B 1 134 ? 26.703 27.798 89.938 1.00 77.10 ? 512 THR B O 1 ATOM 2683 C CB . THR B 1 134 ? 27.563 25.413 91.281 1.00 107.65 ? 512 THR B CB 1 ATOM 2684 O OG1 . THR B 1 134 ? 28.460 25.520 90.177 1.00 100.29 ? 512 THR B OG1 1 ATOM 2685 C CG2 . THR B 1 134 ? 27.662 24.066 91.887 1.00 101.79 ? 512 THR B CG2 1 ATOM 2686 N N . GLU B 1 135 ? 25.213 27.736 91.629 1.00 100.11 ? 513 GLU B N 1 ATOM 2687 C CA . GLU B 1 135 ? 25.254 29.122 92.010 1.00 83.71 ? 513 GLU B CA 1 ATOM 2688 C C . GLU B 1 135 ? 25.818 29.222 93.418 1.00 85.15 ? 513 GLU B C 1 ATOM 2689 O O . GLU B 1 135 ? 25.105 29.084 94.396 1.00 78.26 ? 513 GLU B O 1 ATOM 2690 C CB . GLU B 1 135 ? 23.854 29.692 92.015 1.00 81.16 ? 513 GLU B CB 1 ATOM 2691 C CG . GLU B 1 135 ? 23.798 31.128 92.460 1.00 81.95 ? 513 GLU B CG 1 ATOM 2692 C CD . GLU B 1 135 ? 22.551 31.813 92.003 1.00 87.40 ? 513 GLU B CD 1 ATOM 2693 O OE1 . GLU B 1 135 ? 21.928 31.333 91.062 1.00 86.17 ? 513 GLU B OE1 1 ATOM 2694 O OE2 . GLU B 1 135 ? 22.175 32.840 92.578 1.00 99.93 ? 513 GLU B OE2 1 ATOM 2695 N N . VAL B 1 136 ? 27.100 29.526 93.483 1.00 74.96 ? 514 VAL B N 1 ATOM 2696 C CA . VAL B 1 136 ? 27.863 29.739 94.720 1.00 62.17 ? 514 VAL B CA 1 ATOM 2697 C C . VAL B 1 136 ? 28.144 31.227 94.994 1.00 52.10 ? 514 VAL B C 1 ATOM 2698 O O . VAL B 1 136 ? 28.939 31.864 94.297 1.00 45.47 ? 514 VAL B O 1 ATOM 2699 C CB . VAL B 1 136 ? 29.149 28.865 94.776 1.00 64.94 ? 514 VAL B CB 1 ATOM 2700 C CG1 . VAL B 1 136 ? 30.016 29.049 93.535 1.00 67.02 ? 514 VAL B CG1 1 ATOM 2701 C CG2 . VAL B 1 136 ? 29.943 29.135 96.048 1.00 62.51 ? 514 VAL B CG2 1 ATOM 2702 N N . PRO B 1 137 ? 27.475 31.791 96.015 1.00 54.16 ? 515 PRO B N 1 ATOM 2703 C CA . PRO B 1 137 ? 27.592 33.219 96.337 1.00 47.85 ? 515 PRO B CA 1 ATOM 2704 C C . PRO B 1 137 ? 29.041 33.632 96.579 1.00 40.67 ? 515 PRO B C 1 ATOM 2705 O O . PRO B 1 137 ? 29.760 32.946 97.301 1.00 46.59 ? 515 PRO B O 1 ATOM 2706 C CB . PRO B 1 137 ? 26.772 33.354 97.623 1.00 48.95 ? 515 PRO B CB 1 ATOM 2707 C CG . PRO B 1 137 ? 25.796 32.222 97.565 1.00 52.42 ? 515 PRO B CG 1 ATOM 2708 C CD . PRO B 1 137 ? 26.555 31.095 96.937 1.00 54.37 ? 515 PRO B CD 1 ATOM 2709 N N . GLN B 1 138 ? 29.464 34.725 95.945 1.00 39.82 ? 516 GLN B N 1 ATOM 2710 C CA . GLN B 1 138 ? 30.801 35.292 96.143 1.00 37.87 ? 516 GLN B CA 1 ATOM 2711 C C . GLN B 1 138 ? 30.648 36.593 96.925 1.00 37.85 ? 516 GLN B C 1 ATOM 2712 O O . GLN B 1 138 ? 30.189 37.610 96.387 1.00 41.03 ? 516 GLN B O 1 ATOM 2713 C CB . GLN B 1 138 ? 31.502 35.550 94.807 1.00 38.79 ? 516 GLN B CB 1 ATOM 2714 C CG . GLN B 1 138 ? 31.670 34.312 93.935 1.00 47.10 ? 516 GLN B CG 1 ATOM 2715 C CD . GLN B 1 138 ? 32.464 33.230 94.635 1.00 53.36 ? 516 GLN B CD 1 ATOM 2716 O OE1 . GLN B 1 138 ? 33.665 33.378 94.858 1.00 64.38 ? 516 GLN B OE1 1 ATOM 2717 N NE2 . GLN B 1 138 ? 31.792 32.141 95.004 1.00 58.44 ? 516 GLN B NE2 1 ATOM 2718 N N . LEU B 1 139 ? 31.032 36.545 98.196 1.00 29.02 ? 517 LEU B N 1 ATOM 2719 C CA . LEU B 1 139 ? 30.762 37.629 99.127 1.00 26.44 ? 517 LEU B CA 1 ATOM 2720 C C . LEU B 1 139 ? 31.978 38.519 99.293 1.00 25.16 ? 517 LEU B C 1 ATOM 2721 O O . LEU B 1 139 ? 33.096 38.118 99.002 1.00 28.08 ? 517 LEU B O 1 ATOM 2722 C CB . LEU B 1 139 ? 30.308 37.067 100.479 1.00 26.53 ? 517 LEU B CB 1 ATOM 2723 C CG . LEU B 1 139 ? 28.833 36.656 100.600 1.00 29.55 ? 517 LEU B CG 1 ATOM 2724 C CD1 . LEU B 1 139 ? 28.517 35.393 99.817 1.00 34.14 ? 517 LEU B CD1 1 ATOM 2725 C CD2 . LEU B 1 139 ? 28.489 36.439 102.054 1.00 30.62 ? 517 LEU B CD2 1 ATOM 2726 N N . VAL B 1 140 ? 31.754 39.731 99.766 1.00 25.63 ? 518 VAL B N 1 ATOM 2727 C CA . VAL B 1 140 ? 32.839 40.662 99.948 1.00 30.73 ? 518 VAL B CA 1 ATOM 2728 C C . VAL B 1 140 ? 33.606 40.279 101.223 1.00 33.69 ? 518 VAL B C 1 ATOM 2729 O O . VAL B 1 140 ? 33.014 39.856 102.240 1.00 31.57 ? 518 VAL B O 1 ATOM 2730 C CB . VAL B 1 140 ? 32.333 42.130 99.919 1.00 34.35 ? 518 VAL B CB 1 ATOM 2731 C CG1 . VAL B 1 140 ? 31.637 42.513 101.219 1.00 36.36 ? 518 VAL B CG1 1 ATOM 2732 C CG2 . VAL B 1 140 ? 33.472 43.089 99.621 1.00 37.30 ? 518 VAL B CG2 1 ATOM 2733 N N . ASN B 1 141 ? 34.928 40.355 101.135 1.00 29.08 ? 519 ASN B N 1 ATOM 2734 C CA . ASN B 1 141 ? 35.772 40.147 102.299 1.00 32.43 ? 519 ASN B CA 1 ATOM 2735 C C . ASN B 1 141 ? 35.933 41.442 103.053 1.00 35.34 ? 519 ASN B C 1 ATOM 2736 O O . ASN B 1 141 ? 36.009 42.512 102.435 1.00 31.15 ? 519 ASN B O 1 ATOM 2737 C CB . ASN B 1 141 ? 37.145 39.635 101.886 1.00 29.64 ? 519 ASN B CB 1 ATOM 2738 C CG . ASN B 1 141 ? 37.089 38.229 101.369 1.00 33.15 ? 519 ASN B CG 1 ATOM 2739 O OD1 . ASN B 1 141 ? 36.298 37.424 101.846 1.00 38.12 ? 519 ASN B OD1 1 ATOM 2740 N ND2 . ASN B 1 141 ? 37.917 37.923 100.378 1.00 32.54 ? 519 ASN B ND2 1 ATOM 2741 N N . ALA B 1 142 ? 35.991 41.347 104.383 1.00 35.70 ? 520 ALA B N 1 ATOM 2742 C CA . ALA B 1 142 ? 36.219 42.533 105.212 1.00 37.91 ? 520 ALA B CA 1 ATOM 2743 C C . ALA B 1 142 ? 37.356 43.363 104.604 1.00 39.12 ? 520 ALA B C 1 ATOM 2744 O O . ALA B 1 142 ? 38.390 42.818 104.217 1.00 37.36 ? 520 ALA B O 1 ATOM 2745 C CB . ALA B 1 142 ? 36.525 42.143 106.656 1.00 37.29 ? 520 ALA B CB 1 ATOM 2746 N N . ASN B 1 143 ? 37.124 44.666 104.466 1.00 40.22 ? 521 ASN B N 1 ATOM 2747 C CA . ASN B 1 143 ? 38.142 45.622 104.007 1.00 43.38 ? 521 ASN B CA 1 ATOM 2748 C C . ASN B 1 143 ? 38.449 45.598 102.493 1.00 41.09 ? 521 ASN B C 1 ATOM 2749 O O . ASN B 1 143 ? 39.363 46.280 102.053 1.00 42.00 ? 521 ASN B O 1 ATOM 2750 C CB . ASN B 1 143 ? 39.436 45.497 104.854 1.00 46.61 ? 521 ASN B CB 1 ATOM 2751 C CG . ASN B 1 143 ? 40.185 46.819 104.989 1.00 51.17 ? 521 ASN B CG 1 ATOM 2752 O OD1 . ASN B 1 143 ? 39.613 47.830 105.411 1.00 55.35 ? 521 ASN B OD1 1 ATOM 2753 N ND2 . ASN B 1 143 ? 41.473 46.818 104.633 1.00 47.71 ? 521 ASN B ND2 1 ATOM 2754 N N . GLN B 1 144 ? 37.667 44.851 101.703 1.00 41.61 ? 522 GLN B N 1 ATOM 2755 C CA . GLN B 1 144 ? 37.909 44.692 100.246 1.00 39.30 ? 522 GLN B CA 1 ATOM 2756 C C . GLN B 1 144 ? 36.720 45.115 99.361 1.00 36.50 ? 522 GLN B C 1 ATOM 2757 O O . GLN B 1 144 ? 35.644 45.397 99.868 1.00 36.05 ? 522 GLN B O 1 ATOM 2758 C CB . GLN B 1 144 ? 38.286 43.240 99.918 1.00 39.20 ? 522 GLN B CB 1 ATOM 2759 C CG . GLN B 1 144 ? 39.641 42.791 100.469 1.00 51.00 ? 522 GLN B CG 1 ATOM 2760 C CD . GLN B 1 144 ? 39.968 41.336 100.156 1.00 55.47 ? 522 GLN B CD 1 ATOM 2761 O OE1 . GLN B 1 144 ? 39.453 40.749 99.194 1.00 58.74 ? 522 GLN B OE1 1 ATOM 2762 N NE2 . GLN B 1 144 ? 40.838 40.745 100.970 1.00 57.06 ? 522 GLN B NE2 1 ATOM 2763 N N . TYR B 1 145 ? 36.929 45.153 98.041 1.00 35.78 ? 523 TYR B N 1 ATOM 2764 C CA . TYR B 1 145 ? 35.839 45.346 97.072 1.00 39.21 ? 523 TYR B CA 1 ATOM 2765 C C . TYR B 1 145 ? 35.177 44.040 96.657 1.00 37.86 ? 523 TYR B C 1 ATOM 2766 O O . TYR B 1 145 ? 35.801 42.980 96.688 1.00 43.81 ? 523 TYR B O 1 ATOM 2767 C CB . TYR B 1 145 ? 36.331 46.061 95.807 1.00 41.03 ? 523 TYR B CB 1 ATOM 2768 C CG . TYR B 1 145 ? 36.647 47.516 96.035 1.00 47.27 ? 523 TYR B CG 1 ATOM 2769 C CD1 . TYR B 1 145 ? 35.648 48.496 95.950 1.00 38.22 ? 523 TYR B CD1 1 ATOM 2770 C CD2 . TYR B 1 145 ? 37.946 47.917 96.347 1.00 52.70 ? 523 TYR B CD2 1 ATOM 2771 C CE1 . TYR B 1 145 ? 35.947 49.836 96.163 1.00 43.91 ? 523 TYR B CE1 1 ATOM 2772 C CE2 . TYR B 1 145 ? 38.252 49.249 96.558 1.00 59.00 ? 523 TYR B CE2 1 ATOM 2773 C CZ . TYR B 1 145 ? 37.256 50.203 96.466 1.00 55.92 ? 523 TYR B CZ 1 ATOM 2774 O OH . TYR B 1 145 ? 37.591 51.518 96.684 1.00 56.69 ? 523 TYR B OH 1 ATOM 2775 N N . SER B 1 146 ? 33.914 44.135 96.254 1.00 33.64 ? 524 SER B N 1 ATOM 2776 C CA . SER B 1 146 ? 33.144 42.988 95.778 1.00 37.27 ? 524 SER B CA 1 ATOM 2777 C C . SER B 1 146 ? 33.768 42.365 94.524 1.00 42.67 ? 524 SER B C 1 ATOM 2778 O O . SER B 1 146 ? 34.263 43.084 93.656 1.00 41.75 ? 524 SER B O 1 ATOM 2779 C CB . SER B 1 146 ? 31.714 43.433 95.473 1.00 39.72 ? 524 SER B CB 1 ATOM 2780 O OG . SER B 1 146 ? 30.951 42.390 94.891 1.00 40.54 ? 524 SER B OG 1 ATOM 2781 N N . PRO B 1 147 ? 33.745 41.021 94.416 1.00 48.52 ? 525 PRO B N 1 ATOM 2782 C CA . PRO B 1 147 ? 34.238 40.390 93.184 1.00 55.22 ? 525 PRO B CA 1 ATOM 2783 C C . PRO B 1 147 ? 33.424 40.801 91.955 1.00 55.42 ? 525 PRO B C 1 ATOM 2784 O O . PRO B 1 147 ? 33.937 40.756 90.828 1.00 63.63 ? 525 PRO B O 1 ATOM 2785 C CB . PRO B 1 147 ? 34.052 38.894 93.453 1.00 58.97 ? 525 PRO B CB 1 ATOM 2786 C CG . PRO B 1 147 ? 34.034 38.772 94.936 1.00 58.18 ? 525 PRO B CG 1 ATOM 2787 C CD . PRO B 1 147 ? 33.376 40.024 95.437 1.00 49.54 ? 525 PRO B CD 1 ATOM 2788 N N . CYS B 1 148 ? 32.176 41.212 92.183 1.00 41.65 ? 526 CYS B N 1 ATOM 2789 C CA . CYS B 1 148 ? 31.277 41.618 91.108 1.00 40.83 ? 526 CYS B CA 1 ATOM 2790 C C . CYS B 1 148 ? 31.373 43.104 90.719 1.00 39.27 ? 526 CYS B C 1 ATOM 2791 O O . CYS B 1 148 ? 30.598 43.564 89.867 1.00 38.72 ? 526 CYS B O 1 ATOM 2792 C CB . CYS B 1 148 ? 29.829 41.251 91.462 1.00 46.25 ? 526 CYS B CB 1 ATOM 2793 S SG . CYS B 1 148 ? 29.484 39.469 91.395 1.00 49.55 ? 526 CYS B SG 1 ATOM 2794 N N . VAL B 1 149 ? 32.302 43.859 91.313 1.00 38.33 ? 527 VAL B N 1 ATOM 2795 C CA . VAL B 1 149 ? 32.445 45.276 90.910 1.00 44.17 ? 527 VAL B CA 1 ATOM 2796 C C . VAL B 1 149 ? 32.790 45.423 89.438 1.00 47.89 ? 527 VAL B C 1 ATOM 2797 O O . VAL B 1 149 ? 32.447 46.431 88.822 1.00 52.44 ? 527 VAL B O 1 ATOM 2798 C CB . VAL B 1 149 ? 33.460 46.096 91.742 1.00 46.51 ? 527 VAL B CB 1 ATOM 2799 C CG1 . VAL B 1 149 ? 32.908 46.365 93.126 1.00 49.56 ? 527 VAL B CG1 1 ATOM 2800 C CG2 . VAL B 1 149 ? 34.839 45.433 91.789 1.00 44.58 ? 527 VAL B CG2 1 ATOM 2801 N N . SER B 1 150 ? 33.449 44.412 88.875 1.00 49.55 ? 528 SER B N 1 ATOM 2802 C CA . SER B 1 150 ? 33.890 44.481 87.481 1.00 52.02 ? 528 SER B CA 1 ATOM 2803 C C . SER B 1 150 ? 32.747 44.357 86.467 1.00 48.84 ? 528 SER B C 1 ATOM 2804 O O . SER B 1 150 ? 32.931 44.655 85.287 1.00 53.35 ? 528 SER B O 1 ATOM 2805 C CB . SER B 1 150 ? 34.975 43.434 87.209 1.00 59.42 ? 528 SER B CB 1 ATOM 2806 O OG . SER B 1 150 ? 34.497 42.127 87.488 1.00 69.71 ? 528 SER B OG 1 ATOM 2807 N N . ILE B 1 151 ? 31.572 43.918 86.924 1.00 41.03 ? 529 ILE B N 1 ATOM 2808 C CA . ILE B 1 151 ? 30.435 43.673 86.028 1.00 40.60 ? 529 ILE B CA 1 ATOM 2809 C C . ILE B 1 151 ? 29.153 44.456 86.376 1.00 38.26 ? 529 ILE B C 1 ATOM 2810 O O . ILE B 1 151 ? 28.142 44.343 85.682 1.00 44.81 ? 529 ILE B O 1 ATOM 2811 C CB . ILE B 1 151 ? 30.117 42.155 85.896 1.00 45.24 ? 529 ILE B CB 1 ATOM 2812 C CG1 . ILE B 1 151 ? 29.527 41.587 87.200 1.00 46.76 ? 529 ILE B CG1 1 ATOM 2813 C CG2 . ILE B 1 151 ? 31.364 41.386 85.469 1.00 44.09 ? 529 ILE B CG2 1 ATOM 2814 C CD1 . ILE B 1 151 ? 28.847 40.230 87.055 1.00 40.92 ? 529 ILE B CD1 1 ATOM 2815 N N . VAL B 1 152 ? 29.192 45.233 87.454 1.00 40.26 ? 530 VAL B N 1 ATOM 2816 C CA . VAL B 1 152 ? 28.051 46.069 87.852 1.00 39.63 ? 530 VAL B CA 1 ATOM 2817 C C . VAL B 1 152 ? 28.384 47.514 87.466 1.00 37.29 ? 530 VAL B C 1 ATOM 2818 O O . VAL B 1 152 ? 29.454 48.006 87.830 1.00 34.18 ? 530 VAL B O 1 ATOM 2819 C CB . VAL B 1 152 ? 27.777 45.968 89.376 1.00 37.11 ? 530 VAL B CB 1 ATOM 2820 C CG1 . VAL B 1 152 ? 26.610 46.856 89.789 1.00 31.34 ? 530 VAL B CG1 1 ATOM 2821 C CG2 . VAL B 1 152 ? 27.497 44.525 89.783 1.00 36.16 ? 530 VAL B CG2 1 ATOM 2822 N N . PRO B 1 153 ? 27.486 48.198 86.724 1.00 34.97 ? 531 PRO B N 1 ATOM 2823 C CA . PRO B 1 153 ? 27.810 49.570 86.337 1.00 35.51 ? 531 PRO B CA 1 ATOM 2824 C C . PRO B 1 153 ? 27.773 50.498 87.551 1.00 39.16 ? 531 PRO B C 1 ATOM 2825 O O . PRO B 1 153 ? 27.193 50.141 88.586 1.00 37.64 ? 531 PRO B O 1 ATOM 2826 C CB . PRO B 1 153 ? 26.703 49.926 85.339 1.00 37.69 ? 531 PRO B CB 1 ATOM 2827 C CG . PRO B 1 153 ? 25.547 49.067 85.737 1.00 37.40 ? 531 PRO B CG 1 ATOM 2828 C CD . PRO B 1 153 ? 26.135 47.801 86.280 1.00 34.35 ? 531 PRO B CD 1 ATOM 2829 N N . SER B 1 154 ? 28.386 51.674 87.422 1.00 38.39 ? 532 SER B N 1 ATOM 2830 C CA . SER B 1 154 ? 28.533 52.603 88.537 1.00 36.06 ? 532 SER B CA 1 ATOM 2831 C C . SER B 1 154 ? 27.179 53.158 89.007 1.00 34.12 ? 532 SER B C 1 ATOM 2832 O O . SER B 1 154 ? 27.055 53.637 90.132 1.00 37.61 ? 532 SER B O 1 ATOM 2833 C CB . SER B 1 154 ? 29.512 53.716 88.178 1.00 38.83 ? 532 SER B CB 1 ATOM 2834 O OG . SER B 1 154 ? 28.949 54.549 87.182 1.00 50.80 ? 532 SER B OG 1 ATOM 2835 N N . THR B 1 155 ? 26.173 53.065 88.139 1.00 34.57 ? 533 THR B N 1 ATOM 2836 C CA . THR B 1 155 ? 24.774 53.320 88.497 1.00 36.68 ? 533 THR B CA 1 ATOM 2837 C C . THR B 1 155 ? 23.931 52.215 87.888 1.00 35.05 ? 533 THR B C 1 ATOM 2838 O O . THR B 1 155 ? 24.085 51.904 86.702 1.00 39.60 ? 533 THR B O 1 ATOM 2839 C CB . THR B 1 155 ? 24.269 54.673 87.949 1.00 40.72 ? 533 THR B CB 1 ATOM 2840 O OG1 . THR B 1 155 ? 24.878 55.750 88.675 1.00 50.41 ? 533 THR B OG1 1 ATOM 2841 C CG2 . THR B 1 155 ? 22.743 54.784 88.071 1.00 35.48 ? 533 THR B CG2 1 ATOM 2842 N N . VAL B 1 156 ? 23.041 51.629 88.689 1.00 31.02 ? 534 VAL B N 1 ATOM 2843 C CA . VAL B 1 156 ? 22.139 50.591 88.200 1.00 32.98 ? 534 VAL B CA 1 ATOM 2844 C C . VAL B 1 156 ? 21.012 51.231 87.393 1.00 34.63 ? 534 VAL B C 1 ATOM 2845 O O . VAL B 1 156 ? 20.372 52.177 87.854 1.00 33.75 ? 534 VAL B O 1 ATOM 2846 C CB . VAL B 1 156 ? 21.581 49.726 89.356 1.00 31.03 ? 534 VAL B CB 1 ATOM 2847 C CG1 . VAL B 1 156 ? 20.464 48.808 88.872 1.00 29.24 ? 534 VAL B CG1 1 ATOM 2848 C CG2 . VAL B 1 156 ? 22.702 48.903 89.990 1.00 28.54 ? 534 VAL B CG2 1 ATOM 2849 N N . TRP B 1 157 ? 20.784 50.718 86.186 1.00 36.04 ? 535 TRP B N 1 ATOM 2850 C CA . TRP B 1 157 ? 19.777 51.286 85.280 1.00 38.98 ? 535 TRP B CA 1 ATOM 2851 C C . TRP B 1 157 ? 18.360 51.118 85.821 1.00 35.27 ? 535 TRP B C 1 ATOM 2852 O O . TRP B 1 157 ? 17.592 52.080 85.919 1.00 38.26 ? 535 TRP B O 1 ATOM 2853 C CB . TRP B 1 157 ? 19.876 50.658 83.883 1.00 39.78 ? 535 TRP B CB 1 ATOM 2854 C CG . TRP B 1 157 ? 18.985 51.345 82.884 1.00 42.76 ? 535 TRP B CG 1 ATOM 2855 C CD1 . TRP B 1 157 ? 17.724 50.959 82.491 1.00 43.24 ? 535 TRP B CD1 1 ATOM 2856 C CD2 . TRP B 1 157 ? 19.274 52.554 82.175 1.00 42.09 ? 535 TRP B CD2 1 ATOM 2857 N NE1 . TRP B 1 157 ? 17.220 51.859 81.574 1.00 41.72 ? 535 TRP B NE1 1 ATOM 2858 C CE2 . TRP B 1 157 ? 18.150 52.846 81.364 1.00 40.62 ? 535 TRP B CE2 1 ATOM 2859 C CE3 . TRP B 1 157 ? 20.377 53.422 82.142 1.00 45.09 ? 535 TRP B CE3 1 ATOM 2860 C CZ2 . TRP B 1 157 ? 18.102 53.962 80.526 1.00 33.51 ? 535 TRP B CZ2 1 ATOM 2861 C CZ3 . TRP B 1 157 ? 20.324 54.541 81.308 1.00 47.54 ? 535 TRP B CZ3 1 ATOM 2862 C CH2 . TRP B 1 157 ? 19.192 54.796 80.511 1.00 42.17 ? 535 TRP B CH2 1 ATOM 2863 N N . GLU B 1 158 ? 18.018 49.881 86.162 1.00 32.63 ? 536 GLU B N 1 ATOM 2864 C CA . GLU B 1 158 ? 16.693 49.562 86.640 1.00 35.71 ? 536 GLU B CA 1 ATOM 2865 C C . GLU B 1 158 ? 16.812 48.547 87.758 1.00 37.45 ? 536 GLU B C 1 ATOM 2866 O O . GLU B 1 158 ? 17.617 47.612 87.672 1.00 31.96 ? 536 GLU B O 1 ATOM 2867 C CB . GLU B 1 158 ? 15.851 48.992 85.499 1.00 39.60 ? 536 GLU B CB 1 ATOM 2868 C CG . GLU B 1 158 ? 14.363 48.896 85.797 1.00 48.40 ? 536 GLU B CG 1 ATOM 2869 C CD . GLU B 1 158 ? 13.601 48.136 84.726 1.00 57.61 ? 536 GLU B CD 1 ATOM 2870 O OE1 . GLU B 1 158 ? 14.093 48.038 83.577 1.00 58.82 ? 536 GLU B OE1 1 ATOM 2871 O OE2 . GLU B 1 158 ? 12.503 47.633 85.038 1.00 64.48 ? 536 GLU B OE2 1 ATOM 2872 N N . ASP B 1 159 ? 16.020 48.751 88.806 1.00 38.28 ? 537 ASP B N 1 ATOM 2873 C CA . ASP B 1 159 ? 15.940 47.838 89.936 1.00 42.88 ? 537 ASP B CA 1 ATOM 2874 C C . ASP B 1 159 ? 15.727 46.417 89.412 1.00 42.52 ? 537 ASP B C 1 ATOM 2875 O O . ASP B 1 159 ? 14.863 46.201 88.574 1.00 45.98 ? 537 ASP B O 1 ATOM 2876 C CB . ASP B 1 159 ? 14.769 48.253 90.833 1.00 45.90 ? 537 ASP B CB 1 ATOM 2877 C CG . ASP B 1 159 ? 14.743 47.506 92.159 1.00 54.48 ? 537 ASP B CG 1 ATOM 2878 O OD1 . ASP B 1 159 ? 15.706 47.631 92.950 1.00 45.55 ? 537 ASP B OD1 1 ATOM 2879 O OD2 . ASP B 1 159 ? 13.741 46.806 92.417 1.00 61.35 ? 537 ASP B OD2 1 ATOM 2880 N N . GLY B 1 160 ? 16.542 45.470 89.869 1.00 42.46 ? 538 GLY B N 1 ATOM 2881 C CA . GLY B 1 160 ? 16.383 44.062 89.485 1.00 40.56 ? 538 GLY B CA 1 ATOM 2882 C C . GLY B 1 160 ? 17.241 43.617 88.312 1.00 42.04 ? 538 GLY B C 1 ATOM 2883 O O . GLY B 1 160 ? 17.252 42.432 87.966 1.00 43.93 ? 538 GLY B O 1 ATOM 2884 N N . ASP B 1 161 ? 17.964 44.563 87.707 1.00 40.96 ? 539 ASP B N 1 ATOM 2885 C CA . ASP B 1 161 ? 18.835 44.277 86.556 1.00 39.55 ? 539 ASP B CA 1 ATOM 2886 C C . ASP B 1 161 ? 19.857 43.205 86.843 1.00 38.84 ? 539 ASP B C 1 ATOM 2887 O O . ASP B 1 161 ? 20.357 43.094 87.959 1.00 36.71 ? 539 ASP B O 1 ATOM 2888 C CB . ASP B 1 161 ? 19.571 45.531 86.082 1.00 41.13 ? 539 ASP B CB 1 ATOM 2889 C CG . ASP B 1 161 ? 18.765 46.340 85.096 1.00 46.41 ? 539 ASP B CG 1 ATOM 2890 O OD1 . ASP B 1 161 ? 17.668 45.885 84.695 1.00 48.59 ? 539 ASP B OD1 1 ATOM 2891 O OD2 . ASP B 1 161 ? 19.235 47.436 84.721 1.00 45.91 ? 539 ASP B OD2 1 ATOM 2892 N N . TYR B 1 162 ? 20.193 42.462 85.795 1.00 43.82 ? 540 TYR B N 1 ATOM 2893 C CA . TYR B 1 162 ? 20.997 41.256 85.890 1.00 47.80 ? 540 TYR B CA 1 ATOM 2894 C C . TYR B 1 162 ? 22.253 41.423 85.042 1.00 44.91 ? 540 TYR B C 1 ATOM 2895 O O . TYR B 1 162 ? 22.193 41.955 83.937 1.00 52.56 ? 540 TYR B O 1 ATOM 2896 C CB . TYR B 1 162 ? 20.163 40.085 85.379 1.00 55.29 ? 540 TYR B CB 1 ATOM 2897 C CG . TYR B 1 162 ? 20.356 38.803 86.135 1.00 65.87 ? 540 TYR B CG 1 ATOM 2898 C CD1 . TYR B 1 162 ? 19.869 38.661 87.438 1.00 68.97 ? 540 TYR B CD1 1 ATOM 2899 C CD2 . TYR B 1 162 ? 21.006 37.718 85.546 1.00 77.65 ? 540 TYR B CD2 1 ATOM 2900 C CE1 . TYR B 1 162 ? 20.039 37.477 88.138 1.00 82.97 ? 540 TYR B CE1 1 ATOM 2901 C CE2 . TYR B 1 162 ? 21.181 36.529 86.236 1.00 86.68 ? 540 TYR B CE2 1 ATOM 2902 C CZ . TYR B 1 162 ? 20.696 36.414 87.530 1.00 94.24 ? 540 TYR B CZ 1 ATOM 2903 O OH . TYR B 1 162 ? 20.868 35.234 88.217 1.00 111.52 ? 540 TYR B OH 1 ATOM 2904 N N . TYR B 1 163 ? 23.392 40.990 85.567 1.00 39.02 ? 541 TYR B N 1 ATOM 2905 C CA . TYR B 1 163 ? 24.656 41.116 84.851 1.00 41.13 ? 541 TYR B CA 1 ATOM 2906 C C . TYR B 1 163 ? 25.373 39.780 84.872 1.00 50.04 ? 541 TYR B C 1 ATOM 2907 O O . TYR B 1 163 ? 25.309 39.052 85.865 1.00 56.21 ? 541 TYR B O 1 ATOM 2908 C CB . TYR B 1 163 ? 25.545 42.197 85.486 1.00 39.54 ? 541 TYR B CB 1 ATOM 2909 C CG . TYR B 1 163 ? 24.791 43.440 85.917 1.00 42.28 ? 541 TYR B CG 1 ATOM 2910 C CD1 . TYR B 1 163 ? 24.417 44.420 84.988 1.00 39.52 ? 541 TYR B CD1 1 ATOM 2911 C CD2 . TYR B 1 163 ? 24.445 43.637 87.253 1.00 38.85 ? 541 TYR B CD2 1 ATOM 2912 C CE1 . TYR B 1 163 ? 23.714 45.554 85.380 1.00 38.10 ? 541 TYR B CE1 1 ATOM 2913 C CE2 . TYR B 1 163 ? 23.746 44.768 87.658 1.00 36.74 ? 541 TYR B CE2 1 ATOM 2914 C CZ . TYR B 1 163 ? 23.384 45.724 86.723 1.00 37.82 ? 541 TYR B CZ 1 ATOM 2915 O OH . TYR B 1 163 ? 22.691 46.846 87.142 1.00 33.94 ? 541 TYR B OH 1 ATOM 2916 N N . ARG B 1 164 ? 26.050 39.452 83.775 1.00 55.07 ? 542 ARG B N 1 ATOM 2917 C CA . ARG B 1 164 ? 26.823 38.216 83.697 1.00 53.91 ? 542 ARG B CA 1 ATOM 2918 C C . ARG B 1 164 ? 28.081 38.358 82.848 1.00 53.43 ? 542 ARG B C 1 ATOM 2919 O O . ARG B 1 164 ? 28.118 39.117 81.883 1.00 60.58 ? 542 ARG B O 1 ATOM 2920 C CB . ARG B 1 164 ? 25.961 37.047 83.212 1.00 56.12 ? 542 ARG B CB 1 ATOM 2921 C CG . ARG B 1 164 ? 25.121 37.334 81.981 1.00 72.85 ? 542 ARG B CG 1 ATOM 2922 C CD . ARG B 1 164 ? 24.597 36.042 81.381 1.00 87.14 ? 542 ARG B CD 1 ATOM 2923 N NE . ARG B 1 164 ? 23.832 36.278 80.157 1.00 101.68 ? 542 ARG B NE 1 ATOM 2924 C CZ . ARG B 1 164 ? 23.475 35.328 79.296 1.00 100.06 ? 542 ARG B CZ 1 ATOM 2925 N NH1 . ARG B 1 164 ? 23.817 34.064 79.510 1.00 109.09 ? 542 ARG B NH1 1 ATOM 2926 N NH2 . ARG B 1 164 ? 22.780 35.643 78.213 1.00 92.20 ? 542 ARG B NH2 1 ATOM 2927 N N . LYS B 1 165 ? 29.116 37.625 83.240 1.00 56.08 ? 543 LYS B N 1 ATOM 2928 C CA . LYS B 1 165 ? 30.384 37.597 82.528 1.00 60.75 ? 543 LYS B CA 1 ATOM 2929 C C . LYS B 1 165 ? 30.927 36.172 82.562 1.00 69.90 ? 543 LYS B C 1 ATOM 2930 O O . LYS B 1 165 ? 30.951 35.539 83.615 1.00 61.32 ? 543 LYS B O 1 ATOM 2931 C CB . LYS B 1 165 ? 31.371 38.563 83.180 1.00 58.18 ? 543 LYS B CB 1 ATOM 2932 C CG . LYS B 1 165 ? 32.738 38.631 82.520 1.00 68.98 ? 543 LYS B CG 1 ATOM 2933 C CD . LYS B 1 165 ? 33.260 40.059 82.523 1.00 82.74 ? 543 LYS B CD 1 ATOM 2934 C CE . LYS B 1 165 ? 34.772 40.119 82.368 1.00 91.94 ? 543 LYS B CE 1 ATOM 2935 N NZ . LYS B 1 165 ? 35.467 39.868 83.662 1.00 91.85 ? 543 LYS B NZ 1 ATOM 2936 N N . GLN B 1 166 ? 31.352 35.668 81.409 1.00 76.26 ? 544 GLN B N 1 ATOM 2937 C CA . GLN B 1 166 ? 31.918 34.327 81.320 1.00 80.35 ? 544 GLN B CA 1 ATOM 2938 C C . GLN B 1 166 ? 33.368 34.330 81.807 1.00 80.38 ? 544 GLN B C 1 ATOM 2939 O O . GLN B 1 166 ? 34.199 35.096 81.314 1.00 83.22 ? 544 GLN B O 1 ATOM 2940 C CB . GLN B 1 166 ? 31.833 33.819 79.884 1.00 89.37 ? 544 GLN B CB 1 ATOM 2941 C CG . GLN B 1 166 ? 31.662 32.317 79.756 1.00 93.33 ? 544 GLN B CG 1 ATOM 2942 C CD . GLN B 1 166 ? 32.045 31.822 78.379 1.00 92.68 ? 544 GLN B CD 1 ATOM 2943 O OE1 . GLN B 1 166 ? 31.215 31.770 77.470 1.00 85.20 ? 544 GLN B OE1 1 ATOM 2944 N NE2 . GLN B 1 166 ? 33.317 31.478 78.209 1.00 99.02 ? 544 GLN B NE2 1 ATOM 2945 N N . LEU B 1 167 ? 33.662 33.477 82.782 1.00 91.50 ? 545 LEU B N 1 ATOM 2946 C CA . LEU B 1 167 ? 34.997 33.421 83.375 1.00 105.30 ? 545 LEU B CA 1 ATOM 2947 C C . LEU B 1 167 ? 35.991 32.630 82.527 1.00 112.22 ? 545 LEU B C 1 ATOM 2948 O O . LEU B 1 167 ? 35.680 31.539 82.041 1.00 119.88 ? 545 LEU B O 1 ATOM 2949 C CB . LEU B 1 167 ? 34.935 32.855 84.797 1.00 109.42 ? 545 LEU B CB 1 ATOM 2950 C CG . LEU B 1 167 ? 34.399 33.789 85.889 1.00 103.98 ? 545 LEU B CG 1 ATOM 2951 C CD1 . LEU B 1 167 ? 34.098 33.002 87.157 1.00 90.84 ? 545 LEU B CD1 1 ATOM 2952 C CD2 . LEU B 1 167 ? 35.368 34.934 86.174 1.00 85.06 ? 545 LEU B CD2 1 ATOM 2953 N N . SER B 1 168 ? 37.185 33.196 82.356 1.00 122.45 ? 546 SER B N 1 ATOM 2954 C CA . SER B 1 168 ? 38.263 32.544 81.613 1.00 120.04 ? 546 SER B CA 1 ATOM 2955 C C . SER B 1 168 ? 38.697 31.266 82.330 1.00 124.14 ? 546 SER B C 1 ATOM 2956 O O . SER B 1 168 ? 38.701 31.226 83.563 1.00 123.82 ? 546 SER B O 1 ATOM 2957 C CB . SER B 1 168 ? 39.455 33.493 81.442 1.00 105.91 ? 546 SER B CB 1 ATOM 2958 O OG . SER B 1 168 ? 40.092 33.755 82.689 1.00 98.88 ? 546 SER B OG 1 ATOM 2959 N N . PRO B 1 169 ? 39.051 30.212 81.560 1.00 130.70 ? 547 PRO B N 1 ATOM 2960 C CA . PRO B 1 169 ? 39.511 28.957 82.164 1.00 123.83 ? 547 PRO B CA 1 ATOM 2961 C C . PRO B 1 169 ? 40.734 29.119 83.077 1.00 122.56 ? 547 PRO B C 1 ATOM 2962 O O . PRO B 1 169 ? 40.944 28.287 83.962 1.00 122.66 ? 547 PRO B O 1 ATOM 2963 C CB . PRO B 1 169 ? 39.850 28.089 80.950 1.00 117.87 ? 547 PRO B CB 1 ATOM 2964 C CG . PRO B 1 169 ? 38.961 28.602 79.873 1.00 109.83 ? 547 PRO B CG 1 ATOM 2965 C CD . PRO B 1 169 ? 38.933 30.089 80.089 1.00 124.55 ? 547 PRO B CD 1 ATOM 2966 N N . LEU B 1 170 ? 41.519 30.178 82.866 1.00 127.38 ? 548 LEU B N 1 ATOM 2967 C CA . LEU B 1 170 ? 42.639 30.510 83.754 1.00 132.62 ? 548 LEU B CA 1 ATOM 2968 C C . LEU B 1 170 ? 42.143 30.911 85.147 1.00 138.08 ? 548 LEU B C 1 ATOM 2969 O O . LEU B 1 170 ? 42.761 30.557 86.157 1.00 136.47 ? 548 LEU B O 1 ATOM 2970 C CB . LEU B 1 170 ? 43.516 31.617 83.153 1.00 127.89 ? 548 LEU B CB 1 ATOM 2971 C CG . LEU B 1 170 ? 44.937 31.783 83.718 1.00 125.24 ? 548 LEU B CG 1 ATOM 2972 C CD1 . LEU B 1 170 ? 45.883 32.302 82.641 1.00 116.54 ? 548 LEU B CD1 1 ATOM 2973 C CD2 . LEU B 1 170 ? 44.979 32.686 84.951 1.00 125.14 ? 548 LEU B CD2 1 ATOM 2974 N N . GLU B 1 171 ? 40.969 31.550 85.188 1.00 137.10 ? 549 GLU B N 1 ATOM 2975 C CA . GLU B 1 171 ? 40.234 31.749 86.432 1.00 141.37 ? 549 GLU B CA 1 ATOM 2976 C C . GLU B 1 171 ? 39.221 30.642 86.617 1.00 138.00 ? 549 GLU B C 1 ATOM 2977 O O . GLU B 1 171 ? 38.398 30.684 87.514 1.00 149.74 ? 549 GLU B O 1 ATOM 2978 C CB . GLU B 1 171 ? 39.549 33.098 86.500 1.00 133.81 ? 549 GLU B CB 1 ATOM 2979 C CG . GLU B 1 171 ? 39.858 33.846 87.783 1.00 140.02 ? 549 GLU B CG 1 ATOM 2980 C CD . GLU B 1 171 ? 38.839 33.617 88.879 1.00 130.53 ? 549 GLU B CD 1 ATOM 2981 O OE1 . GLU B 1 171 ? 38.211 34.590 89.313 1.00 124.63 ? 549 GLU B OE1 1 ATOM 2982 O OE2 . GLU B 1 171 ? 38.668 32.469 89.320 1.00 123.38 ? 549 GLU B OE2 1 ATOM 2983 N N . GLY B 1 172 ? 39.289 29.643 85.761 1.00 129.37 ? 550 GLY B N 1 ATOM 2984 C CA . GLY B 1 172 ? 38.523 28.446 86.002 1.00 116.20 ? 550 GLY B CA 1 ATOM 2985 C C . GLY B 1 172 ? 37.132 28.390 85.443 1.00 114.32 ? 550 GLY B C 1 ATOM 2986 O O . GLY B 1 172 ? 36.355 27.520 85.802 1.00 108.44 ? 550 GLY B O 1 ATOM 2987 N N . GLY B 1 173 ? 36.787 29.341 84.598 1.00 113.68 ? 551 GLY B N 1 ATOM 2988 C CA . GLY B 1 173 ? 35.612 29.169 83.778 1.00 111.95 ? 551 GLY B CA 1 ATOM 2989 C C . GLY B 1 173 ? 34.322 29.284 84.541 1.00 103.62 ? 551 GLY B C 1 ATOM 2990 O O . GLY B 1 173 ? 34.316 29.602 85.709 1.00 97.87 ? 551 GLY B O 1 ATOM 2991 N N . GLY B 1 174 ? 33.224 28.977 83.879 1.00 87.44 ? 552 GLY B N 1 ATOM 2992 C CA . GLY B 1 174 ? 31.919 29.357 84.412 1.00 93.80 ? 552 GLY B CA 1 ATOM 2993 C C . GLY B 1 174 ? 31.522 30.805 84.174 1.00 94.72 ? 552 GLY B C 1 ATOM 2994 O O . GLY B 1 174 ? 32.132 31.508 83.367 1.00 87.20 ? 552 GLY B O 1 ATOM 2995 N N . TRP B 1 175 ? 30.488 31.241 84.892 1.00 82.28 ? 553 TRP B N 1 ATOM 2996 C CA . TRP B 1 175 ? 29.936 32.590 84.782 1.00 78.79 ? 553 TRP B CA 1 ATOM 2997 C C . TRP B 1 175 ? 29.983 33.321 86.124 1.00 74.94 ? 553 TRP B C 1 ATOM 2998 O O . TRP B 1 175 ? 29.708 32.728 87.168 1.00 69.38 ? 553 TRP B O 1 ATOM 2999 C CB . TRP B 1 175 ? 28.477 32.525 84.322 1.00 79.86 ? 553 TRP B CB 1 ATOM 3000 C CG . TRP B 1 175 ? 28.273 32.064 82.904 1.00 103.24 ? 553 TRP B CG 1 ATOM 3001 C CD1 . TRP B 1 175 ? 28.082 30.778 82.473 1.00 103.75 ? 553 TRP B CD1 1 ATOM 3002 C CD2 . TRP B 1 175 ? 28.216 32.892 81.734 1.00 108.14 ? 553 TRP B CD2 1 ATOM 3003 N NE1 . TRP B 1 175 ? 27.919 30.754 81.109 1.00 97.57 ? 553 TRP B NE1 1 ATOM 3004 C CE2 . TRP B 1 175 ? 27.997 32.038 80.630 1.00 110.39 ? 553 TRP B CE2 1 ATOM 3005 C CE3 . TRP B 1 175 ? 28.331 34.273 81.513 1.00 107.74 ? 553 TRP B CE3 1 ATOM 3006 C CZ2 . TRP B 1 175 ? 27.894 32.521 79.321 1.00 117.90 ? 553 TRP B CZ2 1 ATOM 3007 C CZ3 . TRP B 1 175 ? 28.230 34.752 80.213 1.00 109.47 ? 553 TRP B CZ3 1 ATOM 3008 C CH2 . TRP B 1 175 ? 28.011 33.877 79.135 1.00 115.64 ? 553 TRP B CH2 1 ATOM 3009 N N . LEU B 1 176 ? 30.331 34.606 86.093 1.00 67.67 ? 554 LEU B N 1 ATOM 3010 C CA . LEU B 1 176 ? 30.132 35.492 87.240 1.00 55.41 ? 554 LEU B CA 1 ATOM 3011 C C . LEU B 1 176 ? 28.827 36.257 87.036 1.00 53.87 ? 554 LEU B C 1 ATOM 3012 O O . LEU B 1 176 ? 28.632 36.901 86.006 1.00 59.25 ? 554 LEU B O 1 ATOM 3013 C CB . LEU B 1 176 ? 31.308 36.460 87.409 1.00 54.70 ? 554 LEU B CB 1 ATOM 3014 C CG . LEU B 1 176 ? 31.323 37.338 88.667 1.00 53.45 ? 554 LEU B CG 1 ATOM 3015 C CD1 . LEU B 1 176 ? 31.484 36.512 89.943 1.00 52.77 ? 554 LEU B CD1 1 ATOM 3016 C CD2 . LEU B 1 176 ? 32.429 38.373 88.567 1.00 56.19 ? 554 LEU B CD2 1 ATOM 3017 N N . VAL B 1 177 ? 27.941 36.185 88.024 1.00 42.41 ? 555 VAL B N 1 ATOM 3018 C CA . VAL B 1 177 ? 26.577 36.673 87.890 1.00 44.77 ? 555 VAL B CA 1 ATOM 3019 C C . VAL B 1 177 ? 26.264 37.643 89.031 1.00 42.52 ? 555 VAL B C 1 ATOM 3020 O O . VAL B 1 177 ? 26.656 37.407 90.178 1.00 43.04 ? 555 VAL B O 1 ATOM 3021 C CB . VAL B 1 177 ? 25.592 35.479 87.875 1.00 49.62 ? 555 VAL B CB 1 ATOM 3022 C CG1 . VAL B 1 177 ? 24.165 35.922 88.136 1.00 52.39 ? 555 VAL B CG1 1 ATOM 3023 C CG2 . VAL B 1 177 ? 25.679 34.726 86.550 1.00 53.64 ? 555 VAL B CG2 1 ATOM 3024 N N . ALA B 1 178 ? 25.577 38.741 88.717 1.00 38.71 ? 556 ALA B N 1 ATOM 3025 C CA . ALA B 1 178 ? 25.196 39.720 89.736 1.00 39.98 ? 556 ALA B CA 1 ATOM 3026 C C . ALA B 1 178 ? 23.839 40.371 89.457 1.00 39.73 ? 556 ALA B C 1 ATOM 3027 O O . ALA B 1 178 ? 23.327 40.318 88.333 1.00 36.61 ? 556 ALA B O 1 ATOM 3028 C CB . ALA B 1 178 ? 26.283 40.786 89.897 1.00 37.39 ? 556 ALA B CB 1 ATOM 3029 N N . SER B 1 179 ? 23.252 40.971 90.489 1.00 35.57 ? 557 SER B N 1 ATOM 3030 C CA . SER B 1 179 ? 22.042 41.768 90.308 1.00 33.94 ? 557 SER B CA 1 ATOM 3031 C C . SER B 1 179 ? 22.108 43.067 91.110 1.00 34.88 ? 557 SER B C 1 ATOM 3032 O O . SER B 1 179 ? 22.715 43.110 92.184 1.00 34.13 ? 557 SER B O 1 ATOM 3033 C CB . SER B 1 179 ? 20.801 40.958 90.673 1.00 37.76 ? 557 SER B CB 1 ATOM 3034 O OG . SER B 1 179 ? 19.626 41.702 90.428 1.00 36.81 ? 557 SER B OG 1 ATOM 3035 N N . GLY B 1 180 ? 21.493 44.121 90.576 1.00 33.97 ? 558 GLY B N 1 ATOM 3036 C CA . GLY B 1 180 ? 21.538 45.444 91.197 1.00 31.69 ? 558 GLY B CA 1 ATOM 3037 C C . GLY B 1 180 ? 20.175 45.907 91.667 1.00 30.84 ? 558 GLY B C 1 ATOM 3038 O O . GLY B 1 180 ? 19.145 45.489 91.120 1.00 32.67 ? 558 GLY B O 1 ATOM 3039 N N . SER B 1 181 ? 20.173 46.757 92.692 1.00 28.46 ? 559 SER B N 1 ATOM 3040 C CA . SER B 1 181 ? 18.943 47.323 93.237 1.00 31.97 ? 559 SER B CA 1 ATOM 3041 C C . SER B 1 181 ? 19.068 48.837 93.343 1.00 31.33 ? 559 SER B C 1 ATOM 3042 O O . SER B 1 181 ? 20.173 49.370 93.413 1.00 31.25 ? 559 SER B O 1 ATOM 3043 C CB . SER B 1 181 ? 18.632 46.733 94.622 1.00 32.09 ? 559 SER B CB 1 ATOM 3044 O OG . SER B 1 181 ? 18.365 45.340 94.550 1.00 32.62 ? 559 SER B OG 1 ATOM 3045 N N . THR B 1 182 ? 17.933 49.527 93.373 1.00 32.21 ? 560 THR B N 1 ATOM 3046 C CA . THR B 1 182 ? 17.944 50.977 93.393 1.00 34.38 ? 560 THR B CA 1 ATOM 3047 C C . THR B 1 182 ? 17.019 51.568 94.442 1.00 34.18 ? 560 THR B C 1 ATOM 3048 O O . THR B 1 182 ? 16.020 50.963 94.817 1.00 34.63 ? 560 THR B O 1 ATOM 3049 C CB . THR B 1 182 ? 17.554 51.564 92.024 1.00 34.96 ? 560 THR B CB 1 ATOM 3050 O OG1 . THR B 1 182 ? 16.236 51.127 91.682 1.00 37.13 ? 560 THR B OG1 1 ATOM 3051 C CG2 . THR B 1 182 ? 18.521 51.111 90.955 1.00 32.70 ? 560 THR B CG2 1 ATOM 3052 N N . VAL B 1 183 ? 17.392 52.755 94.915 1.00 34.18 ? 561 VAL B N 1 ATOM 3053 C CA . VAL B 1 183 ? 16.561 53.568 95.784 1.00 35.02 ? 561 VAL B CA 1 ATOM 3054 C C . VAL B 1 183 ? 16.612 54.982 95.237 1.00 34.79 ? 561 VAL B C 1 ATOM 3055 O O . VAL B 1 183 ? 17.702 55.490 94.893 1.00 30.94 ? 561 VAL B O 1 ATOM 3056 C CB . VAL B 1 183 ? 17.051 53.532 97.251 1.00 37.72 ? 561 VAL B CB 1 ATOM 3057 C CG1 . VAL B 1 183 ? 16.212 54.450 98.137 1.00 34.64 ? 561 VAL B CG1 1 ATOM 3058 C CG2 . VAL B 1 183 ? 17.010 52.104 97.785 1.00 41.55 ? 561 VAL B CG2 1 ATOM 3059 N N . ALA B 1 184 ? 15.434 55.602 95.148 1.00 34.41 ? 562 ALA B N 1 ATOM 3060 C CA . ALA B 1 184 ? 15.271 56.937 94.575 1.00 41.05 ? 562 ALA B CA 1 ATOM 3061 C C . ALA B 1 184 ? 16.113 57.954 95.317 1.00 37.16 ? 562 ALA B C 1 ATOM 3062 O O . ALA B 1 184 ? 16.266 57.868 96.531 1.00 40.49 ? 562 ALA B O 1 ATOM 3063 C CB . ALA B 1 184 ? 13.800 57.356 94.601 1.00 40.02 ? 562 ALA B CB 1 ATOM 3064 N N . MET B 1 185 ? 16.655 58.917 94.587 1.00 39.04 ? 563 MET B N 1 ATOM 3065 C CA . MET B 1 185 ? 17.426 59.986 95.196 1.00 37.50 ? 563 MET B CA 1 ATOM 3066 C C . MET B 1 185 ? 16.555 60.771 96.165 1.00 40.94 ? 563 MET B C 1 ATOM 3067 O O . MET B 1 185 ? 15.336 60.890 95.986 1.00 42.64 ? 563 MET B O 1 ATOM 3068 C CB . MET B 1 185 ? 18.013 60.908 94.118 1.00 39.59 ? 563 MET B CB 1 ATOM 3069 C CG . MET B 1 185 ? 19.001 61.963 94.616 1.00 43.60 ? 563 MET B CG 1 ATOM 3070 S SD . MET B 1 185 ? 20.227 61.455 95.859 1.00 38.95 ? 563 MET B SD 1 ATOM 3071 C CE . MET B 1 185 ? 21.184 60.234 94.961 1.00 36.71 ? 563 MET B CE 1 ATOM 3072 N N . THR B 1 186 ? 17.196 61.284 97.205 1.00 40.99 ? 564 THR B N 1 ATOM 3073 C CA . THR B 1 186 ? 16.549 62.114 98.207 1.00 41.35 ? 564 THR B CA 1 ATOM 3074 C C . THR B 1 186 ? 16.782 63.594 97.869 1.00 40.85 ? 564 THR B C 1 ATOM 3075 O O . THR B 1 186 ? 17.704 63.923 97.110 1.00 36.48 ? 564 THR B O 1 ATOM 3076 C CB . THR B 1 186 ? 17.119 61.784 99.596 1.00 38.42 ? 564 THR B CB 1 ATOM 3077 O OG1 . THR B 1 186 ? 18.553 61.816 99.537 1.00 34.44 ? 564 THR B OG1 1 ATOM 3078 C CG2 . THR B 1 186 ? 16.680 60.384 100.030 1.00 33.81 ? 564 THR B CG2 1 ATOM 3079 N N . GLU B 1 187 ? 15.955 64.482 98.426 1.00 42.64 ? 565 GLU B N 1 ATOM 3080 C CA . GLU B 1 187 ? 16.058 65.916 98.138 1.00 47.02 ? 565 GLU B CA 1 ATOM 3081 C C . GLU B 1 187 ? 17.478 66.419 98.413 1.00 47.16 ? 565 GLU B C 1 ATOM 3082 O O . GLU B 1 187 ? 18.056 67.155 97.601 1.00 41.98 ? 565 GLU B O 1 ATOM 3083 C CB . GLU B 1 187 ? 15.014 66.705 98.937 1.00 56.24 ? 565 GLU B CB 1 ATOM 3084 C CG . GLU B 1 187 ? 14.690 68.085 98.373 1.00 79.27 ? 565 GLU B CG 1 ATOM 3085 C CD . GLU B 1 187 ? 15.498 69.201 99.019 1.00 93.02 ? 565 GLU B CD 1 ATOM 3086 O OE1 . GLU B 1 187 ? 15.435 69.350 100.263 1.00 98.88 ? 565 GLU B OE1 1 ATOM 3087 O OE2 . GLU B 1 187 ? 16.187 69.943 98.281 1.00 105.94 ? 565 GLU B OE2 1 ATOM 3088 N N . GLN B 1 188 ? 18.036 66.000 99.547 1.00 46.96 ? 566 GLN B N 1 ATOM 3089 C CA . GLN B 1 188 ? 19.448 66.222 99.859 1.00 45.46 ? 566 GLN B CA 1 ATOM 3090 C C . GLN B 1 188 ? 20.170 64.883 99.815 1.00 39.13 ? 566 GLN B C 1 ATOM 3091 O O . GLN B 1 188 ? 19.650 63.883 100.308 1.00 41.49 ? 566 GLN B O 1 ATOM 3092 C CB . GLN B 1 188 ? 19.607 66.828 101.256 1.00 46.46 ? 566 GLN B CB 1 ATOM 3093 C CG . GLN B 1 188 ? 19.377 68.326 101.352 1.00 52.67 ? 566 GLN B CG 1 ATOM 3094 C CD . GLN B 1 188 ? 19.210 68.773 102.794 1.00 55.19 ? 566 GLN B CD 1 ATOM 3095 O OE1 . GLN B 1 188 ? 18.113 68.716 103.352 1.00 67.20 ? 566 GLN B OE1 1 ATOM 3096 N NE2 . GLN B 1 188 ? 20.303 69.212 103.409 1.00 56.43 ? 566 GLN B NE2 1 ATOM 3097 N N . LEU B 1 189 ? 21.364 64.868 99.232 1.00 37.21 ? 567 LEU B N 1 ATOM 3098 C CA . LEU B 1 189 ? 22.170 63.662 99.161 1.00 36.61 ? 567 LEU B CA 1 ATOM 3099 C C . LEU B 1 189 ? 22.536 63.192 100.558 1.00 39.98 ? 567 LEU B C 1 ATOM 3100 O O . LEU B 1 189 ? 22.907 63.991 101.424 1.00 38.65 ? 567 LEU B O 1 ATOM 3101 C CB . LEU B 1 189 ? 23.452 63.882 98.347 1.00 38.48 ? 567 LEU B CB 1 ATOM 3102 C CG . LEU B 1 189 ? 24.389 62.652 98.278 1.00 33.36 ? 567 LEU B CG 1 ATOM 3103 C CD1 . LEU B 1 189 ? 23.761 61.509 97.497 1.00 30.25 ? 567 LEU B CD1 1 ATOM 3104 C CD2 . LEU B 1 189 ? 25.731 63.008 97.679 1.00 36.10 ? 567 LEU B CD2 1 ATOM 3105 N N . GLN B 1 190 ? 22.423 61.890 100.766 1.00 38.66 ? 568 GLN B N 1 ATOM 3106 C CA . GLN B 1 190 ? 22.872 61.278 102.002 1.00 35.66 ? 568 GLN B CA 1 ATOM 3107 C C . GLN B 1 190 ? 24.077 60.381 101.734 1.00 33.95 ? 568 GLN B C 1 ATOM 3108 O O . GLN B 1 190 ? 24.191 59.785 100.660 1.00 30.23 ? 568 GLN B O 1 ATOM 3109 C CB . GLN B 1 190 ? 21.718 60.527 102.648 1.00 33.30 ? 568 GLN B CB 1 ATOM 3110 C CG . GLN B 1 190 ? 20.630 61.471 103.163 1.00 34.81 ? 568 GLN B CG 1 ATOM 3111 C CD . GLN B 1 190 ? 19.275 60.808 103.223 1.00 35.58 ? 568 GLN B CD 1 ATOM 3112 O OE1 . GLN B 1 190 ? 19.104 59.691 102.756 1.00 40.65 ? 568 GLN B OE1 1 ATOM 3113 N NE2 . GLN B 1 190 ? 18.302 61.498 103.788 1.00 45.89 ? 568 GLN B NE2 1 ATOM 3114 N N . MET B 1 191 ? 24.988 60.317 102.702 1.00 32.82 ? 569 MET B N 1 ATOM 3115 C CA . MET B 1 191 ? 26.268 59.647 102.510 1.00 31.91 ? 569 MET B CA 1 ATOM 3116 C C . MET B 1 191 ? 26.644 58.730 103.664 1.00 34.51 ? 569 MET B C 1 ATOM 3117 O O . MET B 1 191 ? 26.141 58.875 104.788 1.00 32.14 ? 569 MET B O 1 ATOM 3118 C CB . MET B 1 191 ? 27.384 60.673 102.306 1.00 34.15 ? 569 MET B CB 1 ATOM 3119 C CG . MET B 1 191 ? 27.260 61.478 101.014 1.00 38.34 ? 569 MET B CG 1 ATOM 3120 S SD . MET B 1 191 ? 28.564 62.706 100.871 1.00 38.60 ? 569 MET B SD 1 ATOM 3121 C CE . MET B 1 191 ? 30.001 61.653 100.639 1.00 35.56 ? 569 MET B CE 1 ATOM 3122 N N . GLY B 1 192 ? 27.535 57.786 103.363 1.00 34.25 ? 570 GLY B N 1 ATOM 3123 C CA . GLY B 1 192 ? 28.154 56.948 104.381 1.00 31.18 ? 570 GLY B CA 1 ATOM 3124 C C . GLY B 1 192 ? 29.622 57.289 104.451 1.00 28.36 ? 570 GLY B C 1 ATOM 3125 O O . GLY B 1 192 ? 30.258 57.501 103.415 1.00 31.97 ? 570 GLY B O 1 ATOM 3126 N N . PHE B 1 193 ? 30.155 57.373 105.669 1.00 29.05 ? 571 PHE B N 1 ATOM 3127 C CA . PHE B 1 193 ? 31.596 57.472 105.875 1.00 34.12 ? 571 PHE B CA 1 ATOM 3128 C C . PHE B 1 193 ? 32.051 56.307 106.740 1.00 34.09 ? 571 PHE B C 1 ATOM 3129 O O . PHE B 1 193 ? 31.546 56.110 107.841 1.00 35.93 ? 571 PHE B O 1 ATOM 3130 C CB . PHE B 1 193 ? 31.999 58.787 106.562 1.00 40.27 ? 571 PHE B CB 1 ATOM 3131 C CG . PHE B 1 193 ? 31.415 60.016 105.933 1.00 44.47 ? 571 PHE B CG 1 ATOM 3132 C CD1 . PHE B 1 193 ? 31.811 60.426 104.672 1.00 47.85 ? 571 PHE B CD1 1 ATOM 3133 C CD2 . PHE B 1 193 ? 30.490 60.779 106.618 1.00 50.79 ? 571 PHE B CD2 1 ATOM 3134 C CE1 . PHE B 1 193 ? 31.276 61.563 104.094 1.00 44.90 ? 571 PHE B CE1 1 ATOM 3135 C CE2 . PHE B 1 193 ? 29.953 61.920 106.047 1.00 56.01 ? 571 PHE B CE2 1 ATOM 3136 C CZ . PHE B 1 193 ? 30.343 62.308 104.779 1.00 43.17 ? 571 PHE B CZ 1 ATOM 3137 N N . GLY B 1 194 ? 33.010 55.542 106.245 1.00 29.30 ? 572 GLY B N 1 ATOM 3138 C CA . GLY B 1 194 ? 33.603 54.487 107.041 1.00 27.39 ? 572 GLY B CA 1 ATOM 3139 C C . GLY B 1 194 ? 35.001 54.873 107.459 1.00 28.75 ? 572 GLY B C 1 ATOM 3140 O O . GLY B 1 194 ? 35.819 55.234 106.619 1.00 33.67 ? 572 GLY B O 1 ATOM 3141 N N . ILE B 1 195 ? 35.277 54.814 108.761 1.00 27.54 ? 573 ILE B N 1 ATOM 3142 C CA . ILE B 1 195 ? 36.622 55.096 109.262 1.00 25.89 ? 573 ILE B CA 1 ATOM 3143 C C . ILE B 1 195 ? 37.179 53.837 109.891 1.00 24.65 ? 573 ILE B C 1 ATOM 3144 O O . ILE B 1 195 ? 36.509 53.208 110.709 1.00 26.58 ? 573 ILE B O 1 ATOM 3145 C CB . ILE B 1 195 ? 36.639 56.225 110.320 1.00 29.79 ? 573 ILE B CB 1 ATOM 3146 C CG1 . ILE B 1 195 ? 35.950 57.492 109.787 1.00 30.77 ? 573 ILE B CG1 1 ATOM 3147 C CG2 . ILE B 1 195 ? 38.079 56.513 110.779 1.00 29.15 ? 573 ILE B CG2 1 ATOM 3148 C CD1 . ILE B 1 195 ? 35.649 58.528 110.859 1.00 29.71 ? 573 ILE B CD1 1 ATOM 3149 N N . THR B 1 196 ? 38.395 53.470 109.496 1.00 25.34 ? 574 THR B N 1 ATOM 3150 C CA . THR B 1 196 ? 39.137 52.374 110.114 1.00 23.43 ? 574 THR B CA 1 ATOM 3151 C C . THR B 1 196 ? 40.475 52.940 110.578 1.00 23.33 ? 574 THR B C 1 ATOM 3152 O O . THR B 1 196 ? 41.193 53.565 109.800 1.00 28.07 ? 574 THR B O 1 ATOM 3153 C CB . THR B 1 196 ? 39.414 51.249 109.102 1.00 24.27 ? 574 THR B CB 1 ATOM 3154 O OG1 . THR B 1 196 ? 38.177 50.813 108.520 1.00 30.70 ? 574 THR B OG1 1 ATOM 3155 C CG2 . THR B 1 196 ? 40.105 50.052 109.783 1.00 25.96 ? 574 THR B CG2 1 ATOM 3156 N N . VAL B 1 197 ? 40.813 52.721 111.838 1.00 21.55 ? 575 VAL B N 1 ATOM 3157 C CA . VAL B 1 197 ? 42.092 53.173 112.348 1.00 24.66 ? 575 VAL B CA 1 ATOM 3158 C C . VAL B 1 197 ? 42.966 51.989 112.718 1.00 27.89 ? 575 VAL B C 1 ATOM 3159 O O . VAL B 1 197 ? 42.472 50.917 113.103 1.00 29.20 ? 575 VAL B O 1 ATOM 3160 C CB . VAL B 1 197 ? 41.963 54.148 113.543 1.00 26.07 ? 575 VAL B CB 1 ATOM 3161 C CG1 . VAL B 1 197 ? 41.240 55.425 113.121 1.00 25.65 ? 575 VAL B CG1 1 ATOM 3162 C CG2 . VAL B 1 197 ? 41.269 53.491 114.738 1.00 27.80 ? 575 VAL B CG2 1 ATOM 3163 N N . GLN B 1 198 ? 44.269 52.201 112.592 1.00 26.79 ? 576 GLN B N 1 ATOM 3164 C CA . GLN B 1 198 ? 45.267 51.196 112.898 1.00 31.88 ? 576 GLN B CA 1 ATOM 3165 C C . GLN B 1 198 ? 46.273 51.811 113.863 1.00 28.94 ? 576 GLN B C 1 ATOM 3166 O O . GLN B 1 198 ? 46.801 52.887 113.605 1.00 29.85 ? 576 GLN B O 1 ATOM 3167 C CB . GLN B 1 198 ? 45.966 50.780 111.603 1.00 37.74 ? 576 GLN B CB 1 ATOM 3168 C CG . GLN B 1 198 ? 46.703 49.458 111.663 1.00 49.51 ? 576 GLN B CG 1 ATOM 3169 C CD . GLN B 1 198 ? 46.809 48.781 110.298 1.00 65.42 ? 576 GLN B CD 1 ATOM 3170 O OE1 . GLN B 1 198 ? 47.612 47.871 110.116 1.00 74.28 ? 576 GLN B OE1 1 ATOM 3171 N NE2 . GLN B 1 198 ? 45.990 49.222 109.333 1.00 69.18 ? 576 GLN B NE2 1 ATOM 3172 N N . TYR B 1 199 ? 46.519 51.135 114.979 1.00 27.60 ? 577 TYR B N 1 ATOM 3173 C CA . TYR B 1 199 ? 47.528 51.576 115.936 1.00 32.81 ? 577 TYR B CA 1 ATOM 3174 C C . TYR B 1 199 ? 48.824 50.832 115.648 1.00 36.80 ? 577 TYR B C 1 ATOM 3175 O O . TYR B 1 199 ? 48.851 49.601 115.612 1.00 36.88 ? 577 TYR B O 1 ATOM 3176 C CB . TYR B 1 199 ? 47.077 51.305 117.372 1.00 29.30 ? 577 TYR B CB 1 ATOM 3177 C CG . TYR B 1 199 ? 45.920 52.147 117.864 1.00 27.71 ? 577 TYR B CG 1 ATOM 3178 C CD1 . TYR B 1 199 ? 46.142 53.389 118.479 1.00 27.70 ? 577 TYR B CD1 1 ATOM 3179 C CD2 . TYR B 1 199 ? 44.599 51.699 117.744 1.00 27.91 ? 577 TYR B CD2 1 ATOM 3180 C CE1 . TYR B 1 199 ? 45.081 54.157 118.954 1.00 26.77 ? 577 TYR B CE1 1 ATOM 3181 C CE2 . TYR B 1 199 ? 43.533 52.459 118.218 1.00 26.76 ? 577 TYR B CE2 1 ATOM 3182 C CZ . TYR B 1 199 ? 43.779 53.680 118.826 1.00 27.01 ? 577 TYR B CZ 1 ATOM 3183 O OH . TYR B 1 199 ? 42.731 54.429 119.303 1.00 26.67 ? 577 TYR B OH 1 ATOM 3184 N N . GLY B 1 200 ? 49.896 51.583 115.437 1.00 47.07 ? 578 GLY B N 1 ATOM 3185 C CA . GLY B 1 200 ? 51.153 51.008 114.959 1.00 58.36 ? 578 GLY B CA 1 ATOM 3186 C C . GLY B 1 200 ? 52.077 50.593 116.073 1.00 62.16 ? 578 GLY B C 1 ATOM 3187 O O . GLY B 1 200 ? 51.812 50.873 117.234 1.00 64.56 ? 578 GLY B O 1 ATOM 3188 N N . THR B 1 201 ? 53.158 49.940 115.710 1.00 87.48 ? 579 THR B N 1 ATOM 3189 C CA . THR B 1 201 ? 54.125 49.533 116.703 1.00 95.76 ? 579 THR B CA 1 ATOM 3190 C C . THR B 1 201 ? 54.885 50.661 117.426 1.00 88.32 ? 579 THR B C 1 ATOM 3191 O O . THR B 1 201 ? 55.019 50.625 118.635 1.00 86.80 ? 579 THR B O 1 ATOM 3192 C CB . THR B 1 201 ? 55.075 48.504 116.095 1.00 107.68 ? 579 THR B CB 1 ATOM 3193 O OG1 . THR B 1 201 ? 54.933 48.525 114.667 1.00 114.43 ? 579 THR B OG1 1 ATOM 3194 C CG2 . THR B 1 201 ? 54.704 47.140 116.599 1.00 109.66 ? 579 THR B CG2 1 ATOM 3195 N N . ASP B 1 202 ? 55.381 51.647 116.691 1.00 86.98 ? 580 ASP B N 1 ATOM 3196 C CA . ASP B 1 202 ? 55.988 52.838 117.287 1.00 92.74 ? 580 ASP B CA 1 ATOM 3197 C C . ASP B 1 202 ? 55.600 54.085 116.527 1.00 85.47 ? 580 ASP B C 1 ATOM 3198 O O . ASP B 1 202 ? 56.140 55.165 116.720 1.00 91.49 ? 580 ASP B O 1 ATOM 3199 C CB . ASP B 1 202 ? 57.512 52.715 117.289 1.00 98.31 ? 580 ASP B CB 1 ATOM 3200 C CG . ASP B 1 202 ? 58.080 52.297 115.929 1.00 99.60 ? 580 ASP B CG 1 ATOM 3201 O OD1 . ASP B 1 202 ? 58.206 53.141 115.037 1.00 95.16 ? 580 ASP B OD1 1 ATOM 3202 O OD2 . ASP B 1 202 ? 58.415 51.116 115.752 1.00 103.48 ? 580 ASP B OD2 1 ATOM 3203 N N . THR B 1 203 ? 54.663 53.902 115.627 1.00 87.29 ? 581 THR B N 1 ATOM 3204 C CA . THR B 1 203 ? 54.590 54.618 114.407 1.00 77.42 ? 581 THR B CA 1 ATOM 3205 C C . THR B 1 203 ? 53.356 55.468 114.351 1.00 67.04 ? 581 THR B C 1 ATOM 3206 O O . THR B 1 203 ? 52.808 55.674 113.292 1.00 55.95 ? 581 THR B O 1 ATOM 3207 C CB . THR B 1 203 ? 54.663 53.644 113.226 1.00 74.94 ? 581 THR B CB 1 ATOM 3208 O OG1 . THR B 1 203 ? 54.191 54.304 112.061 1.00 85.94 ? 581 THR B OG1 1 ATOM 3209 C CG2 . THR B 1 203 ? 53.832 52.432 113.484 1.00 57.95 ? 581 THR B CG2 1 ATOM 3210 N N . ASN B 1 204 ? 52.924 55.931 115.506 1.00 48.66 ? 582 ASN B N 1 ATOM 3211 C CA . ASN B 1 204 ? 51.653 56.661 115.616 1.00 45.53 ? 582 ASN B CA 1 ATOM 3212 C C . ASN B 1 204 ? 51.740 58.153 115.273 1.00 47.17 ? 582 ASN B C 1 ATOM 3213 O O . ASN B 1 204 ? 51.792 59.009 116.163 1.00 49.61 ? 582 ASN B O 1 ATOM 3214 C CB . ASN B 1 204 ? 51.011 56.447 116.991 1.00 46.31 ? 582 ASN B CB 1 ATOM 3215 C CG . ASN B 1 204 ? 50.691 54.986 117.267 1.00 47.25 ? 582 ASN B CG 1 ATOM 3216 O OD1 . ASN B 1 204 ? 51.019 54.455 118.331 1.00 48.71 ? 582 ASN B OD1 1 ATOM 3217 N ND2 . ASN B 1 204 ? 50.050 54.329 116.311 1.00 41.60 ? 582 ASN B ND2 1 ATOM 3218 N N . SER B 1 205 ? 51.734 58.456 113.976 1.00 46.88 ? 583 SER B N 1 ATOM 3219 C CA . SER B 1 205 ? 51.921 59.831 113.506 1.00 51.27 ? 583 SER B CA 1 ATOM 3220 C C . SER B 1 205 ? 50.713 60.420 112.762 1.00 44.64 ? 583 SER B C 1 ATOM 3221 O O . SER B 1 205 ? 50.804 61.480 112.155 1.00 49.24 ? 583 SER B O 1 ATOM 3222 C CB . SER B 1 205 ? 53.197 59.942 112.666 1.00 56.15 ? 583 SER B CB 1 ATOM 3223 O OG . SER B 1 205 ? 53.188 59.007 111.606 1.00 76.06 ? 583 SER B OG 1 ATOM 3224 N N . VAL B 1 206 ? 49.582 59.732 112.808 1.00 35.99 ? 584 VAL B N 1 ATOM 3225 C CA . VAL B 1 206 ? 48.330 60.357 112.423 1.00 35.90 ? 584 VAL B CA 1 ATOM 3226 C C . VAL B 1 206 ? 47.678 60.827 113.717 1.00 36.83 ? 584 VAL B C 1 ATOM 3227 O O . VAL B 1 206 ? 47.072 60.028 114.430 1.00 37.69 ? 584 VAL B O 1 ATOM 3228 C CB . VAL B 1 206 ? 47.399 59.388 111.675 1.00 34.80 ? 584 VAL B CB 1 ATOM 3229 C CG1 . VAL B 1 206 ? 46.115 60.099 111.253 1.00 29.23 ? 584 VAL B CG1 1 ATOM 3230 C CG2 . VAL B 1 206 ? 48.106 58.823 110.459 1.00 36.01 ? 584 VAL B CG2 1 ATOM 3231 N N . CYS B 1 207 ? 47.823 62.118 114.013 1.00 37.63 ? 585 CYS B N 1 ATOM 3232 C CA . CYS B 1 207 ? 47.388 62.701 115.284 1.00 38.78 ? 585 CYS B CA 1 ATOM 3233 C C . CYS B 1 207 ? 46.373 63.830 115.085 1.00 41.88 ? 585 CYS B C 1 ATOM 3234 O O . CYS B 1 207 ? 46.295 64.399 113.995 1.00 39.89 ? 585 CYS B O 1 ATOM 3235 C CB . CYS B 1 207 ? 48.604 63.218 116.061 1.00 40.37 ? 585 CYS B CB 1 ATOM 3236 S SG . CYS B 1 207 ? 49.668 61.914 116.723 1.00 49.87 ? 585 CYS B SG 1 ATOM 3237 N N . PRO B 1 208 ? 45.583 64.154 116.132 1.00 39.78 ? 586 PRO B N 1 ATOM 3238 C CA . PRO B 1 208 ? 44.650 65.272 116.006 1.00 43.38 ? 586 PRO B CA 1 ATOM 3239 C C . PRO B 1 208 ? 45.354 66.626 116.102 1.00 49.81 ? 586 PRO B C 1 ATOM 3240 O O . PRO B 1 208 ? 46.338 66.757 116.837 1.00 43.49 ? 586 PRO B O 1 ATOM 3241 C CB . PRO B 1 208 ? 43.702 65.096 117.199 1.00 40.53 ? 586 PRO B CB 1 ATOM 3242 C CG . PRO B 1 208 ? 44.153 63.875 117.933 1.00 43.52 ? 586 PRO B CG 1 ATOM 3243 C CD . PRO B 1 208 ? 45.528 63.541 117.470 1.00 38.56 ? 586 PRO B CD 1 ATOM 3244 N N . LYS B 1 209 ? 44.852 67.613 115.358 1.00 55.61 ? 587 LYS B N 1 ATOM 3245 C CA . LYS B 1 209 ? 45.344 68.993 115.441 1.00 63.65 ? 587 LYS B CA 1 ATOM 3246 C C . LYS B 1 209 ? 45.036 69.584 116.816 1.00 64.64 ? 587 LYS B C 1 ATOM 3247 O O . LYS B 1 209 ? 43.960 69.339 117.369 1.00 65.03 ? 587 LYS B O 1 ATOM 3248 C CB . LYS B 1 209 ? 44.710 69.865 114.351 1.00 72.74 ? 587 LYS B CB 1 ATOM 3249 C CG . LYS B 1 209 ? 45.193 69.574 112.937 1.00 74.77 ? 587 LYS B CG 1 ATOM 3250 C CD . LYS B 1 209 ? 44.963 70.759 112.006 1.00 85.28 ? 587 LYS B CD 1 ATOM 3251 C CE . LYS B 1 209 ? 46.043 71.826 112.152 1.00 94.77 ? 587 LYS B CE 1 ATOM 3252 N NZ . LYS B 1 209 ? 47.381 71.373 111.671 1.00 89.13 ? 587 LYS B NZ 1 ATOM 3253 N N . LEU B 1 210 ? 45.974 70.358 117.363 1.00 72.12 ? 588 LEU B N 1 ATOM 3254 C CA . LEU B 1 210 ? 45.832 70.889 118.726 1.00 75.61 ? 588 LEU B CA 1 ATOM 3255 C C . LEU B 1 210 ? 45.899 72.411 118.799 1.00 66.13 ? 588 LEU B C 1 ATOM 3256 O O . LEU B 1 210 ? 46.518 73.065 117.953 1.00 66.19 ? 588 LEU B O 1 ATOM 3257 C CB . LEU B 1 210 ? 46.872 70.262 119.665 1.00 76.72 ? 588 LEU B CB 1 ATOM 3258 C CG . LEU B 1 210 ? 46.907 68.729 119.803 1.00 73.86 ? 588 LEU B CG 1 ATOM 3259 C CD1 . LEU B 1 210 ? 48.141 68.283 120.575 1.00 69.26 ? 588 LEU B CD1 1 ATOM 3260 C CD2 . LEU B 1 210 ? 45.640 68.172 120.446 1.00 67.03 ? 588 LEU B CD2 1 HETATM 3261 C C1 . EDO C 2 . ? 9.798 84.639 84.499 1.00 67.34 ? 1000 EDO A C1 1 HETATM 3262 O O1 . EDO C 2 . ? 9.247 85.710 83.726 1.00 69.53 ? 1000 EDO A O1 1 HETATM 3263 C C2 . EDO C 2 . ? 11.191 85.029 84.979 1.00 70.94 ? 1000 EDO A C2 1 HETATM 3264 O O2 . EDO C 2 . ? 12.220 84.335 84.255 1.00 62.41 ? 1000 EDO A O2 1 HETATM 3265 C C1 . NAG D 3 . ? 19.177 47.373 74.490 1.00 55.90 ? 1001 NAG A C1 1 HETATM 3266 C C2 . NAG D 3 . ? 19.131 45.843 74.567 1.00 71.14 ? 1001 NAG A C2 1 HETATM 3267 C C3 . NAG D 3 . ? 17.794 45.234 74.138 1.00 76.17 ? 1001 NAG A C3 1 HETATM 3268 C C4 . NAG D 3 . ? 16.571 45.996 74.641 1.00 76.58 ? 1001 NAG A C4 1 HETATM 3269 C C5 . NAG D 3 . ? 16.769 47.513 74.465 1.00 63.44 ? 1001 NAG A C5 1 HETATM 3270 C C6 . NAG D 3 . ? 15.643 48.344 75.081 1.00 57.96 ? 1001 NAG A C6 1 HETATM 3271 C C7 . NAG D 3 . ? 21.095 44.487 74.111 1.00 77.97 ? 1001 NAG A C7 1 HETATM 3272 C C8 . NAG D 3 . ? 22.005 43.972 73.043 1.00 80.75 ? 1001 NAG A C8 1 HETATM 3273 N N2 . NAG D 3 . ? 20.118 45.270 73.680 1.00 80.86 ? 1001 NAG A N2 1 HETATM 3274 O O3 . NAG D 3 . ? 17.721 43.883 74.555 1.00 77.10 ? 1001 NAG A O3 1 HETATM 3275 O O4 . NAG D 3 . ? 15.471 45.495 73.899 1.00 83.45 ? 1001 NAG A O4 1 HETATM 3276 O O5 . NAG D 3 . ? 17.996 47.938 75.046 1.00 49.90 ? 1001 NAG A O5 1 HETATM 3277 O O6 . NAG D 3 . ? 15.623 48.191 76.490 1.00 57.16 ? 1001 NAG A O6 1 HETATM 3278 O O7 . NAG D 3 . ? 21.270 44.193 75.291 1.00 89.90 ? 1001 NAG A O7 1 HETATM 3279 C C1 . NAG E 3 . ? 14.295 45.364 74.729 1.00 100.41 ? 1002 NAG A C1 1 HETATM 3280 C C2 . NAG E 3 . ? 13.040 45.269 73.852 1.00 112.30 ? 1002 NAG A C2 1 HETATM 3281 C C3 . NAG E 3 . ? 12.008 44.283 74.395 1.00 118.47 ? 1002 NAG A C3 1 HETATM 3282 C C4 . NAG E 3 . ? 12.690 42.960 74.709 1.00 124.61 ? 1002 NAG A C4 1 HETATM 3283 C C5 . NAG E 3 . ? 13.807 43.135 75.744 1.00 119.95 ? 1002 NAG A C5 1 HETATM 3284 C C6 . NAG E 3 . ? 14.915 42.115 75.504 1.00 116.78 ? 1002 NAG A C6 1 HETATM 3285 C C7 . NAG E 3 . ? 12.064 47.494 74.573 1.00 115.53 ? 1002 NAG A C7 1 HETATM 3286 C C8 . NAG E 3 . ? 12.070 47.172 76.049 1.00 115.37 ? 1002 NAG A C8 1 HETATM 3287 N N2 . NAG E 3 . ? 12.485 46.605 73.653 1.00 111.97 ? 1002 NAG A N2 1 HETATM 3288 O O3 . NAG E 3 . ? 10.991 44.067 73.442 1.00 106.89 ? 1002 NAG A O3 1 HETATM 3289 O O4 . NAG E 3 . ? 11.735 42.042 75.199 1.00 127.67 ? 1002 NAG A O4 1 HETATM 3290 O O5 . NAG E 3 . ? 14.375 44.439 75.818 1.00 117.15 ? 1002 NAG A O5 1 HETATM 3291 O O6 . NAG E 3 . ? 14.488 40.881 76.038 1.00 112.08 ? 1002 NAG A O6 1 HETATM 3292 O O7 . NAG E 3 . ? 11.656 48.599 74.226 1.00 133.17 ? 1002 NAG A O7 1 HETATM 3293 C C1 . NAG F 3 . ? 6.106 55.541 82.517 1.00 94.91 ? 1003 NAG A C1 1 HETATM 3294 C C2 . NAG F 3 . ? 5.325 54.221 82.530 1.00 102.78 ? 1003 NAG A C2 1 HETATM 3295 C C3 . NAG F 3 . ? 5.171 53.583 81.142 1.00 99.59 ? 1003 NAG A C3 1 HETATM 3296 C C4 . NAG F 3 . ? 5.083 54.578 79.980 1.00 102.79 ? 1003 NAG A C4 1 HETATM 3297 C C5 . NAG F 3 . ? 6.118 55.696 80.187 1.00 103.81 ? 1003 NAG A C5 1 HETATM 3298 C C6 . NAG F 3 . ? 6.295 56.701 79.037 1.00 91.88 ? 1003 NAG A C6 1 HETATM 3299 C C7 . NAG F 3 . ? 5.803 53.200 84.739 1.00 107.37 ? 1003 NAG A C7 1 HETATM 3300 C C8 . NAG F 3 . ? 6.651 52.191 85.464 1.00 105.19 ? 1003 NAG A C8 1 HETATM 3301 N N2 . NAG F 3 . ? 6.010 53.291 83.419 1.00 108.52 ? 1003 NAG A N2 1 HETATM 3302 O O3 . NAG F 3 . ? 4.023 52.762 81.126 1.00 98.42 ? 1003 NAG A O3 1 HETATM 3303 O O4 . NAG F 3 . ? 5.329 53.856 78.791 1.00 111.11 ? 1003 NAG A O4 1 HETATM 3304 O O5 . NAG F 3 . ? 5.808 56.362 81.400 1.00 98.92 ? 1003 NAG A O5 1 HETATM 3305 O O6 . NAG F 3 . ? 5.084 57.004 78.370 1.00 113.70 ? 1003 NAG A O6 1 HETATM 3306 O O7 . NAG F 3 . ? 4.982 53.879 85.363 1.00 109.99 ? 1003 NAG A O7 1 HETATM 3307 C C1 . NAG G 3 . ? 4.214 53.932 77.875 1.00 118.51 ? 1004 NAG A C1 1 HETATM 3308 C C2 . NAG G 3 . ? 4.760 53.847 76.446 1.00 126.57 ? 1004 NAG A C2 1 HETATM 3309 C C3 . NAG G 3 . ? 3.612 53.952 75.444 1.00 124.34 ? 1004 NAG A C3 1 HETATM 3310 C C4 . NAG G 3 . ? 2.555 52.894 75.763 1.00 122.54 ? 1004 NAG A C4 1 HETATM 3311 C C5 . NAG G 3 . ? 2.093 53.038 77.217 1.00 119.75 ? 1004 NAG A C5 1 HETATM 3312 C C6 . NAG G 3 . ? 1.037 51.988 77.560 1.00 112.97 ? 1004 NAG A C6 1 HETATM 3313 C C7 . NAG G 3 . ? 7.001 54.611 75.724 1.00 112.64 ? 1004 NAG A C7 1 HETATM 3314 C C8 . NAG G 3 . ? 7.909 55.794 75.594 1.00 99.51 ? 1004 NAG A C8 1 HETATM 3315 N N2 . NAG G 3 . ? 5.781 54.863 76.216 1.00 132.15 ? 1004 NAG A N2 1 HETATM 3316 O O3 . NAG G 3 . ? 4.093 53.782 74.128 1.00 101.32 ? 1004 NAG A O3 1 HETATM 3317 O O4 . NAG G 3 . ? 1.466 53.001 74.870 1.00 126.73 ? 1004 NAG A O4 1 HETATM 3318 O O5 . NAG G 3 . ? 3.213 52.944 78.093 1.00 122.13 ? 1004 NAG A O5 1 HETATM 3319 O O6 . NAG G 3 . ? 1.068 51.688 78.940 1.00 118.02 ? 1004 NAG A O6 1 HETATM 3320 O O7 . NAG G 3 . ? 7.411 53.502 75.380 1.00 116.91 ? 1004 NAG A O7 1 HETATM 3321 C C1 . EDO H 2 . ? 16.971 55.647 85.035 1.00 52.57 ? 1000 EDO B C1 1 HETATM 3322 O O1 . EDO H 2 . ? 16.089 54.535 84.864 1.00 62.32 ? 1000 EDO B O1 1 HETATM 3323 C C2 . EDO H 2 . ? 18.238 55.380 84.238 1.00 52.87 ? 1000 EDO B C2 1 HETATM 3324 O O2 . EDO H 2 . ? 19.340 55.231 85.138 1.00 55.08 ? 1000 EDO B O2 1 HETATM 3325 C C1 . NAG I 3 . ? 38.746 71.527 114.894 1.00 76.62 ? 1001 NAG B C1 1 HETATM 3326 C C2 . NAG I 3 . ? 39.074 72.605 115.936 1.00 83.29 ? 1001 NAG B C2 1 HETATM 3327 C C3 . NAG I 3 . ? 37.864 72.815 116.847 1.00 93.62 ? 1001 NAG B C3 1 HETATM 3328 C C4 . NAG I 3 . ? 36.703 73.321 115.992 1.00 97.90 ? 1001 NAG B C4 1 HETATM 3329 C C5 . NAG I 3 . ? 36.460 72.329 114.846 1.00 91.31 ? 1001 NAG B C5 1 HETATM 3330 C C6 . NAG I 3 . ? 35.416 72.861 113.869 1.00 85.52 ? 1001 NAG B C6 1 HETATM 3331 C C7 . NAG I 3 . ? 41.511 72.551 116.244 1.00 77.10 ? 1001 NAG B C7 1 HETATM 3332 C C8 . NAG I 3 . ? 42.621 72.205 117.190 1.00 78.37 ? 1001 NAG B C8 1 HETATM 3333 N N2 . NAG I 3 . ? 40.277 72.337 116.704 1.00 77.51 ? 1001 NAG B N2 1 HETATM 3334 O O3 . NAG I 3 . ? 38.158 73.723 117.887 1.00 104.29 ? 1001 NAG B O3 1 HETATM 3335 O O4 . NAG I 3 . ? 35.509 73.464 116.744 1.00 111.32 ? 1001 NAG B O4 1 HETATM 3336 O O5 . NAG I 3 . ? 37.652 72.016 114.133 1.00 80.00 ? 1001 NAG B O5 1 HETATM 3337 O O6 . NAG I 3 . ? 36.053 73.640 112.880 1.00 96.22 ? 1001 NAG B O6 1 HETATM 3338 O O7 . NAG I 3 . ? 41.772 72.999 115.126 1.00 78.31 ? 1001 NAG B O7 1 HETATM 3339 C C1 . NAG J 3 . ? 35.144 74.783 117.242 1.00 124.48 ? 1002 NAG B C1 1 HETATM 3340 C C2 . NAG J 3 . ? 35.274 75.987 116.277 1.00 131.62 ? 1002 NAG B C2 1 HETATM 3341 C C3 . NAG J 3 . ? 34.818 77.252 117.007 1.00 126.81 ? 1002 NAG B C3 1 HETATM 3342 C C4 . NAG J 3 . ? 33.351 77.116 117.398 1.00 127.83 ? 1002 NAG B C4 1 HETATM 3343 C C5 . NAG J 3 . ? 33.087 75.823 118.189 1.00 131.51 ? 1002 NAG B C5 1 HETATM 3344 C C6 . NAG J 3 . ? 31.597 75.477 118.133 1.00 118.44 ? 1002 NAG B C6 1 HETATM 3345 C C7 . NAG J 3 . ? 37.743 76.672 115.992 1.00 133.71 ? 1002 NAG B C7 1 HETATM 3346 C C8 . NAG J 3 . ? 37.930 77.203 117.389 1.00 130.65 ? 1002 NAG B C8 1 HETATM 3347 N N2 . NAG J 3 . ? 36.564 76.161 115.589 1.00 135.47 ? 1002 NAG B N2 1 HETATM 3348 O O3 . NAG J 3 . ? 35.001 78.393 116.193 1.00 127.38 ? 1002 NAG B O3 1 HETATM 3349 O O4 . NAG J 3 . ? 32.974 78.246 118.158 1.00 114.23 ? 1002 NAG B O4 1 HETATM 3350 O O5 . NAG J 3 . ? 33.794 74.681 117.695 1.00 130.17 ? 1002 NAG B O5 1 HETATM 3351 O O6 . NAG J 3 . ? 30.885 76.082 119.192 1.00 98.70 ? 1002 NAG B O6 1 HETATM 3352 O O7 . NAG J 3 . ? 38.701 76.711 115.218 1.00 129.24 ? 1002 NAG B O7 1 HETATM 3353 C C1 . NAG K 3 . ? 24.252 75.496 107.119 1.00 107.48 ? 1003 NAG B C1 1 HETATM 3354 C C2 . NAG K 3 . ? 23.048 74.657 107.575 1.00 117.19 ? 1003 NAG B C2 1 HETATM 3355 C C3 . NAG K 3 . ? 23.261 73.959 108.924 1.00 128.82 ? 1003 NAG B C3 1 HETATM 3356 C C4 . NAG K 3 . ? 24.732 73.724 109.285 1.00 130.26 ? 1003 NAG B C4 1 HETATM 3357 C C5 . NAG K 3 . ? 25.614 74.965 109.064 1.00 122.65 ? 1003 NAG B C5 1 HETATM 3358 C C6 . NAG K 3 . ? 26.987 74.578 108.509 1.00 118.09 ? 1003 NAG B C6 1 HETATM 3359 C C7 . NAG K 3 . ? 21.256 76.393 108.287 1.00 122.58 ? 1003 NAG B C7 1 HETATM 3360 C C8 . NAG K 3 . ? 22.095 77.171 109.280 1.00 112.06 ? 1003 NAG B C8 1 HETATM 3361 N N2 . NAG K 3 . ? 21.768 75.372 107.568 1.00 122.14 ? 1003 NAG B N2 1 HETATM 3362 O O3 . NAG K 3 . ? 22.568 72.729 108.904 1.00 132.86 ? 1003 NAG B O3 1 HETATM 3363 O O4 . NAG K 3 . ? 24.791 73.339 110.648 1.00 141.87 ? 1003 NAG B O4 1 HETATM 3364 O O5 . NAG K 3 . ? 24.992 75.953 108.245 1.00 114.99 ? 1003 NAG B O5 1 HETATM 3365 O O6 . NAG K 3 . ? 27.741 75.741 108.246 1.00 124.17 ? 1003 NAG B O6 1 HETATM 3366 O O7 . NAG K 3 . ? 20.072 76.747 108.110 1.00 128.35 ? 1003 NAG B O7 1 HETATM 3367 C C1 . NAG L 3 . ? 25.413 72.044 110.806 1.00 129.96 ? 1004 NAG B C1 1 HETATM 3368 C C2 . NAG L 3 . ? 26.022 71.956 112.209 1.00 121.13 ? 1004 NAG B C2 1 HETATM 3369 C C3 . NAG L 3 . ? 25.956 70.531 112.749 1.00 117.68 ? 1004 NAG B C3 1 HETATM 3370 C C4 . NAG L 3 . ? 24.496 70.077 112.816 1.00 115.64 ? 1004 NAG B C4 1 HETATM 3371 C C5 . NAG L 3 . ? 23.758 70.309 111.488 1.00 113.21 ? 1004 NAG B C5 1 HETATM 3372 C C6 . NAG L 3 . ? 22.430 71.039 111.704 1.00 115.78 ? 1004 NAG B C6 1 HETATM 3373 C C7 . NAG L 3 . ? 27.698 73.641 112.780 1.00 108.96 ? 1004 NAG B C7 1 HETATM 3374 C C8 . NAG L 3 . ? 29.148 74.028 112.720 1.00 107.13 ? 1004 NAG B C8 1 HETATM 3375 N N2 . NAG L 3 . ? 27.383 72.469 112.221 1.00 117.27 ? 1004 NAG B N2 1 HETATM 3376 O O3 . NAG L 3 . ? 26.556 70.470 114.026 1.00 112.98 ? 1004 NAG B O3 1 HETATM 3377 O O4 . NAG L 3 . ? 24.412 68.707 113.156 1.00 86.95 ? 1004 NAG B O4 1 HETATM 3378 O O5 . NAG L 3 . ? 24.549 70.950 110.481 1.00 124.78 ? 1004 NAG B O5 1 HETATM 3379 O O6 . NAG L 3 . ? 21.376 70.275 111.158 1.00 105.01 ? 1004 NAG B O6 1 HETATM 3380 O O7 . NAG L 3 . ? 26.877 74.387 113.321 1.00 96.01 ? 1004 NAG B O7 1 HETATM 3381 O O . HOH M 4 . ? 25.435 53.085 78.504 1.00 51.47 ? 1101 HOH A O 1 HETATM 3382 O O . HOH M 4 . ? 33.231 56.363 80.007 1.00 68.51 ? 1102 HOH A O 1 HETATM 3383 O O . HOH M 4 . ? 35.518 61.013 76.597 1.00 61.75 ? 1103 HOH A O 1 HETATM 3384 O O . HOH M 4 . ? 35.408 64.327 70.077 1.00 63.38 ? 1104 HOH A O 1 HETATM 3385 O O . HOH M 4 . ? 40.354 52.602 71.292 1.00 70.95 ? 1105 HOH A O 1 HETATM 3386 O O . HOH M 4 . ? 35.303 50.216 76.881 1.00 71.78 ? 1106 HOH A O 1 HETATM 3387 O O . HOH M 4 . ? 36.695 60.590 67.164 1.00 57.18 ? 1107 HOH A O 1 HETATM 3388 O O . HOH M 4 . ? 29.418 63.433 56.974 1.00 66.90 ? 1108 HOH A O 1 HETATM 3389 O O . HOH M 4 . ? 22.232 85.719 57.077 1.00 59.73 ? 1109 HOH A O 1 HETATM 3390 O O . HOH M 4 . ? 19.533 87.249 59.902 1.00 54.34 ? 1110 HOH A O 1 HETATM 3391 O O . HOH M 4 . ? 20.760 92.075 58.994 1.00 54.50 ? 1111 HOH A O 1 HETATM 3392 O O . HOH M 4 . ? 35.301 105.835 60.349 1.00 63.59 ? 1112 HOH A O 1 HETATM 3393 O O . HOH M 4 . ? 11.173 59.490 93.037 1.00 59.69 ? 1113 HOH A O 1 HETATM 3394 O O . HOH M 4 . ? 7.010 64.875 82.975 1.00 65.00 ? 1114 HOH A O 1 HETATM 3395 O O . HOH M 4 . ? 9.597 39.495 74.760 1.00 75.24 ? 1115 HOH A O 1 HETATM 3396 O O . HOH M 4 . ? 9.726 41.107 77.156 1.00 85.50 ? 1116 HOH A O 1 HETATM 3397 O O . HOH M 4 . ? 19.162 49.040 64.940 1.00 55.19 ? 1117 HOH A O 1 HETATM 3398 O O . HOH M 4 . ? 29.292 44.634 74.924 1.00 73.57 ? 1118 HOH A O 1 HETATM 3399 O O . HOH M 4 . ? 30.066 49.365 62.901 1.00 31.24 ? 1119 HOH A O 1 HETATM 3400 O O . HOH M 4 . ? 14.202 79.466 79.658 1.00 26.51 ? 1120 HOH A O 1 HETATM 3401 O O . HOH M 4 . ? 20.126 77.911 79.482 1.00 25.87 ? 1121 HOH A O 1 HETATM 3402 O O . HOH M 4 . ? 24.666 78.888 71.233 1.00 24.35 ? 1122 HOH A O 1 HETATM 3403 O O . HOH M 4 . ? 24.370 78.746 61.681 1.00 28.46 ? 1123 HOH A O 1 HETATM 3404 O O . HOH M 4 . ? 27.057 54.683 59.067 1.00 35.88 ? 1124 HOH A O 1 HETATM 3405 O O . HOH M 4 . ? 6.174 79.368 80.984 1.00 33.53 ? 1125 HOH A O 1 HETATM 3406 O O . HOH M 4 . ? 25.517 66.615 68.095 1.00 31.77 ? 1126 HOH A O 1 HETATM 3407 O O . HOH M 4 . ? 19.814 51.894 58.027 1.00 34.44 ? 1127 HOH A O 1 HETATM 3408 O O . HOH M 4 . ? 11.299 68.986 71.433 1.00 28.60 ? 1128 HOH A O 1 HETATM 3409 O O . HOH M 4 . ? 4.257 80.695 74.243 1.00 30.98 ? 1129 HOH A O 1 HETATM 3410 O O . HOH M 4 . ? 27.842 68.362 65.422 1.00 29.71 ? 1130 HOH A O 1 HETATM 3411 O O . HOH M 4 . ? 15.501 76.201 74.301 1.00 20.49 ? 1131 HOH A O 1 HETATM 3412 O O . HOH M 4 . ? 26.341 74.923 67.408 1.00 28.89 ? 1132 HOH A O 1 HETATM 3413 O O . HOH M 4 . ? 16.382 53.590 60.302 1.00 34.83 ? 1133 HOH A O 1 HETATM 3414 O O . HOH M 4 . ? 31.198 95.572 64.215 1.00 27.40 ? 1134 HOH A O 1 HETATM 3415 O O . HOH M 4 . ? 23.990 82.379 77.790 1.00 37.48 ? 1135 HOH A O 1 HETATM 3416 O O . HOH M 4 . ? 32.436 50.846 62.734 1.00 32.55 ? 1136 HOH A O 1 HETATM 3417 O O . HOH M 4 . ? 21.208 61.250 54.621 1.00 30.99 ? 1137 HOH A O 1 HETATM 3418 O O . HOH M 4 . ? 22.122 71.648 62.721 1.00 41.68 ? 1138 HOH A O 1 HETATM 3419 O O . HOH M 4 . ? 10.707 64.617 60.602 1.00 29.88 ? 1139 HOH A O 1 HETATM 3420 O O . HOH M 4 . ? 5.675 72.562 71.883 1.00 30.90 ? 1140 HOH A O 1 HETATM 3421 O O . HOH M 4 . ? 24.953 83.191 66.931 1.00 36.82 ? 1141 HOH A O 1 HETATM 3422 O O . HOH M 4 . ? 21.797 50.749 70.778 1.00 35.31 ? 1142 HOH A O 1 HETATM 3423 O O . HOH M 4 . ? 14.159 78.632 84.345 1.00 37.66 ? 1143 HOH A O 1 HETATM 3424 O O . HOH M 4 . ? 4.832 74.971 72.469 1.00 34.19 ? 1144 HOH A O 1 HETATM 3425 O O . HOH M 4 . ? 8.359 85.184 79.679 1.00 49.32 ? 1145 HOH A O 1 HETATM 3426 O O . HOH M 4 . ? 12.940 56.029 69.088 1.00 49.85 ? 1146 HOH A O 1 HETATM 3427 O O . HOH M 4 . ? 4.669 62.716 73.130 1.00 51.76 ? 1147 HOH A O 1 HETATM 3428 O O . HOH M 4 . ? 29.184 100.549 65.711 1.00 33.05 ? 1148 HOH A O 1 HETATM 3429 O O . HOH M 4 . ? 13.509 70.491 61.164 1.00 32.78 ? 1149 HOH A O 1 HETATM 3430 O O . HOH M 4 . ? 16.523 60.052 58.994 1.00 36.16 ? 1150 HOH A O 1 HETATM 3431 O O . HOH M 4 . ? 6.389 82.032 79.801 1.00 37.82 ? 1151 HOH A O 1 HETATM 3432 O O . HOH M 4 . ? 4.123 76.421 74.708 1.00 33.25 ? 1152 HOH A O 1 HETATM 3433 O O . HOH M 4 . ? 31.930 77.861 71.493 1.00 41.27 ? 1153 HOH A O 1 HETATM 3434 O O . HOH M 4 . ? 29.646 80.196 66.762 1.00 29.26 ? 1154 HOH A O 1 HETATM 3435 O O . HOH M 4 . ? 8.724 56.750 72.182 1.00 45.66 ? 1155 HOH A O 1 HETATM 3436 O O . HOH M 4 . ? 10.945 55.594 73.305 1.00 47.76 ? 1156 HOH A O 1 HETATM 3437 O O . HOH M 4 . ? 17.132 86.322 83.436 1.00 55.53 ? 1157 HOH A O 1 HETATM 3438 O O . HOH M 4 . ? 7.545 87.402 78.470 1.00 46.55 ? 1158 HOH A O 1 HETATM 3439 O O . HOH M 4 . ? 4.490 66.123 73.735 1.00 46.35 ? 1159 HOH A O 1 HETATM 3440 O O . HOH M 4 . ? 22.757 83.532 83.111 1.00 39.96 ? 1160 HOH A O 1 HETATM 3441 O O . HOH M 4 . ? 21.080 65.783 62.360 1.00 37.68 ? 1161 HOH A O 1 HETATM 3442 O O . HOH M 4 . ? 1.315 71.521 77.118 1.00 44.53 ? 1162 HOH A O 1 HETATM 3443 O O . HOH M 4 . ? 6.560 82.928 76.921 1.00 37.16 ? 1163 HOH A O 1 HETATM 3444 O O . HOH M 4 . ? 14.471 53.780 69.885 1.00 54.90 ? 1164 HOH A O 1 HETATM 3445 O O . HOH M 4 . ? 23.283 53.073 77.237 1.00 42.78 ? 1165 HOH A O 1 HETATM 3446 O O . HOH M 4 . ? 15.925 78.338 81.929 1.00 58.08 ? 1166 HOH A O 1 HETATM 3447 O O . HOH M 4 . ? 27.084 86.608 58.647 1.00 34.11 ? 1167 HOH A O 1 HETATM 3448 O O . HOH M 4 . ? 14.539 65.605 64.688 1.00 43.72 ? 1168 HOH A O 1 HETATM 3449 O O . HOH M 4 . ? 33.594 80.616 59.781 1.00 58.65 ? 1169 HOH A O 1 HETATM 3450 O O . HOH M 4 . ? 21.139 63.999 54.155 1.00 55.51 ? 1170 HOH A O 1 HETATM 3451 O O . HOH M 4 . ? 22.455 48.089 71.983 1.00 48.46 ? 1171 HOH A O 1 HETATM 3452 O O . HOH M 4 . ? 25.149 86.241 56.846 1.00 43.00 ? 1172 HOH A O 1 HETATM 3453 O O . HOH M 4 . ? 6.452 94.263 81.326 1.00 47.57 ? 1173 HOH A O 1 HETATM 3454 O O . HOH M 4 . ? 26.869 72.176 67.916 1.00 43.35 ? 1174 HOH A O 1 HETATM 3455 O O . HOH M 4 . ? 33.054 100.159 69.550 1.00 79.98 ? 1175 HOH A O 1 HETATM 3456 O O . HOH M 4 . ? 21.936 47.010 77.133 1.00 61.88 ? 1176 HOH A O 1 HETATM 3457 O O . HOH M 4 . ? 28.172 78.519 60.226 1.00 53.76 ? 1177 HOH A O 1 HETATM 3458 O O . HOH M 4 . ? 7.918 74.011 63.629 1.00 26.73 ? 1178 HOH A O 1 HETATM 3459 O O . HOH M 4 . ? 8.005 66.996 82.303 1.00 50.07 ? 1179 HOH A O 1 HETATM 3460 O O . HOH M 4 . ? 3.415 70.769 71.656 1.00 54.68 ? 1180 HOH A O 1 HETATM 3461 O O . HOH M 4 . ? 30.006 75.963 60.703 1.00 40.20 ? 1181 HOH A O 1 HETATM 3462 O O . HOH M 4 . ? 15.636 76.835 85.938 1.00 68.87 ? 1182 HOH A O 1 HETATM 3463 O O . HOH M 4 . ? 17.138 53.304 69.113 1.00 49.04 ? 1183 HOH A O 1 HETATM 3464 O O . HOH M 4 . ? 3.255 68.449 77.017 1.00 47.88 ? 1184 HOH A O 1 HETATM 3465 O O . HOH M 4 . ? 21.581 49.801 59.182 1.00 33.85 ? 1185 HOH A O 1 HETATM 3466 O O . HOH M 4 . ? 29.604 96.800 76.751 1.00 41.43 ? 1186 HOH A O 1 HETATM 3467 O O . HOH M 4 . ? 3.392 71.317 68.707 1.00 43.81 ? 1187 HOH A O 1 HETATM 3468 O O . HOH M 4 . ? 31.570 101.587 66.357 1.00 50.02 ? 1188 HOH A O 1 HETATM 3469 O O . HOH M 4 . ? 26.172 69.398 67.129 1.00 62.12 ? 1189 HOH A O 1 HETATM 3470 O O . HOH M 4 . ? 10.286 56.956 81.658 1.00 47.67 ? 1190 HOH A O 1 HETATM 3471 O O . HOH M 4 . ? 32.236 95.377 76.752 1.00 57.45 ? 1191 HOH A O 1 HETATM 3472 O O . HOH M 4 . ? 20.493 73.428 63.262 1.00 53.15 ? 1192 HOH A O 1 HETATM 3473 O O . HOH M 4 . ? 21.611 71.010 83.282 1.00 70.47 ? 1193 HOH A O 1 HETATM 3474 O O . HOH M 4 . ? 31.486 62.623 67.316 1.00 43.75 ? 1194 HOH A O 1 HETATM 3475 O O . HOH M 4 . ? 2.903 78.439 73.304 1.00 46.84 ? 1195 HOH A O 1 HETATM 3476 O O . HOH M 4 . ? 34.900 49.524 63.080 1.00 44.26 ? 1196 HOH A O 1 HETATM 3477 O O . HOH M 4 . ? 31.473 104.111 64.859 1.00 55.06 ? 1197 HOH A O 1 HETATM 3478 O O . HOH M 4 . ? 6.182 84.776 74.692 1.00 57.70 ? 1198 HOH A O 1 HETATM 3479 O O . HOH M 4 . ? 18.800 65.685 61.034 1.00 50.22 ? 1199 HOH A O 1 HETATM 3480 O O . HOH M 4 . ? 30.236 62.464 79.262 1.00 67.28 ? 1200 HOH A O 1 HETATM 3481 O O . HOH M 4 . ? 24.540 88.493 55.489 1.00 40.20 ? 1201 HOH A O 1 HETATM 3482 O O . HOH M 4 . ? 21.573 52.304 78.746 1.00 63.05 ? 1202 HOH A O 1 HETATM 3483 O O . HOH M 4 . ? 16.992 53.422 66.454 1.00 44.95 ? 1203 HOH A O 1 HETATM 3484 O O . HOH M 4 . ? 31.026 81.241 60.827 1.00 59.18 ? 1204 HOH A O 1 HETATM 3485 O O . HOH M 4 . ? 27.509 94.352 77.769 1.00 37.30 ? 1205 HOH A O 1 HETATM 3486 O O . HOH M 4 . ? 31.775 64.755 78.268 1.00 41.66 ? 1206 HOH A O 1 HETATM 3487 O O . HOH M 4 . ? 34.839 74.335 66.245 1.00 54.51 ? 1207 HOH A O 1 HETATM 3488 O O . HOH M 4 . ? 12.852 92.255 70.362 1.00 78.95 ? 1208 HOH A O 1 HETATM 3489 O O . HOH M 4 . ? 25.448 85.511 80.335 1.00 54.76 ? 1209 HOH A O 1 HETATM 3490 O O . HOH M 4 . ? 25.614 65.860 59.300 1.00 49.59 ? 1210 HOH A O 1 HETATM 3491 O O . HOH M 4 . ? 21.927 96.324 58.050 1.00 47.95 ? 1211 HOH A O 1 HETATM 3492 O O . HOH M 4 . ? 16.475 88.624 79.590 1.00 29.00 ? 1212 HOH A O 1 HETATM 3493 O O . HOH M 4 . ? 18.003 89.954 81.353 1.00 40.09 ? 1213 HOH A O 1 HETATM 3494 O O . HOH M 4 . ? 15.958 91.924 81.306 1.00 28.47 ? 1214 HOH A O 1 HETATM 3495 O O . HOH M 4 . ? 20.959 91.192 61.578 1.00 60.10 ? 1215 HOH A O 1 HETATM 3496 O O . HOH M 4 . ? 30.956 57.489 79.649 1.00 41.24 ? 1216 HOH A O 1 HETATM 3497 O O . HOH M 4 . ? 23.813 55.979 81.650 1.00 52.21 ? 1217 HOH A O 1 HETATM 3498 O O . HOH M 4 . ? 23.078 48.707 82.699 1.00 47.56 ? 1218 HOH A O 1 HETATM 3499 O O . HOH M 4 . ? 9.637 86.927 70.379 1.00 45.14 ? 1219 HOH A O 1 HETATM 3500 O O . HOH M 4 . ? 30.053 82.500 65.168 1.00 51.93 ? 1220 HOH A O 1 HETATM 3501 O O . HOH M 4 . ? 20.875 76.645 81.912 1.00 53.58 ? 1221 HOH A O 1 HETATM 3502 O O . HOH M 4 . ? 23.547 89.419 80.190 1.00 45.89 ? 1222 HOH A O 1 HETATM 3503 O O . HOH M 4 . ? 30.696 72.987 73.238 1.00 58.71 ? 1223 HOH A O 1 HETATM 3504 O O . HOH M 4 . ? 28.611 71.351 77.672 1.00 51.25 ? 1224 HOH A O 1 HETATM 3505 O O . HOH M 4 . ? 24.854 74.605 79.558 1.00 48.77 ? 1225 HOH A O 1 HETATM 3506 O O . HOH M 4 . ? 21.408 68.449 82.792 1.00 49.85 ? 1226 HOH A O 1 HETATM 3507 O O . HOH M 4 . ? 18.779 67.401 82.357 1.00 37.20 ? 1227 HOH A O 1 HETATM 3508 O O . HOH M 4 . ? 9.670 69.964 87.338 1.00 50.92 ? 1228 HOH A O 1 HETATM 3509 O O . HOH M 4 . ? 9.737 67.066 84.479 1.00 51.83 ? 1229 HOH A O 1 HETATM 3510 O O . HOH M 4 . ? 4.084 73.690 83.138 1.00 57.37 ? 1230 HOH A O 1 HETATM 3511 O O . HOH M 4 . ? 1.841 75.271 75.693 1.00 48.26 ? 1231 HOH A O 1 HETATM 3512 O O . HOH M 4 . ? 7.220 83.469 71.511 1.00 50.52 ? 1232 HOH A O 1 HETATM 3513 O O . HOH M 4 . ? 4.735 60.377 77.723 1.00 60.23 ? 1233 HOH A O 1 HETATM 3514 O O . HOH M 4 . ? 12.803 58.698 86.975 1.00 70.84 ? 1234 HOH A O 1 HETATM 3515 O O . HOH M 4 . ? 16.933 75.800 81.419 1.00 32.16 ? 1235 HOH A O 1 HETATM 3516 O O . HOH M 4 . ? 6.940 86.213 70.742 1.00 54.01 ? 1236 HOH A O 1 HETATM 3517 O O . HOH M 4 . ? 5.520 89.230 74.369 1.00 55.00 ? 1237 HOH A O 1 HETATM 3518 O O . HOH M 4 . ? 31.423 82.094 71.523 1.00 56.48 ? 1238 HOH A O 1 HETATM 3519 O O . HOH M 4 . ? 21.166 97.856 67.892 1.00 48.88 ? 1239 HOH A O 1 HETATM 3520 O O . HOH M 4 . ? 24.067 101.478 70.513 1.00 49.30 ? 1240 HOH A O 1 HETATM 3521 O O . HOH M 4 . ? 31.779 67.156 64.542 1.00 48.83 ? 1241 HOH A O 1 HETATM 3522 O O . HOH M 4 . ? 13.712 77.466 72.679 1.00 43.50 ? 1242 HOH A O 1 HETATM 3523 O O . HOH M 4 . ? 9.230 66.958 71.964 1.00 56.09 ? 1243 HOH A O 1 HETATM 3524 O O . HOH M 4 . ? 6.834 93.202 77.774 1.00 74.96 ? 1244 HOH A O 1 HETATM 3525 O O . HOH M 4 . ? 28.326 84.883 60.710 1.00 33.87 ? 1245 HOH A O 1 HETATM 3526 O O . HOH M 4 . ? 30.557 85.689 61.888 1.00 49.85 ? 1246 HOH A O 1 HETATM 3527 O O . HOH M 4 . ? 31.115 71.053 60.118 1.00 54.15 ? 1247 HOH A O 1 HETATM 3528 O O . HOH M 4 . ? 32.920 103.858 59.530 1.00 43.04 ? 1248 HOH A O 1 HETATM 3529 O O . HOH M 4 . ? 11.004 61.929 59.227 1.00 50.63 ? 1249 HOH A O 1 HETATM 3530 O O . HOH M 4 . ? 36.537 55.411 71.518 1.00 51.52 ? 1250 HOH A O 1 HETATM 3531 O O . HOH M 4 . ? 33.641 68.750 71.131 1.00 54.05 ? 1251 HOH A O 1 HETATM 3532 O O . HOH M 4 . ? 24.947 50.168 78.222 1.00 70.87 ? 1252 HOH A O 1 HETATM 3533 O O . HOH M 4 . ? 7.731 75.217 84.795 1.00 45.03 ? 1253 HOH A O 1 HETATM 3534 O O . HOH M 4 . ? 24.889 65.702 56.808 1.00 58.11 ? 1254 HOH A O 1 HETATM 3535 O O . HOH M 4 . ? 16.788 83.617 61.510 1.00 50.29 ? 1255 HOH A O 1 HETATM 3536 O O . HOH M 4 . ? 15.498 77.559 60.144 1.00 52.34 ? 1256 HOH A O 1 HETATM 3537 O O . HOH M 4 . ? 8.470 82.283 69.437 1.00 45.88 ? 1257 HOH A O 1 HETATM 3538 O O . HOH M 4 . ? 33.624 58.156 77.393 1.00 57.13 ? 1258 HOH A O 1 HETATM 3539 O O . HOH M 4 . ? 35.676 55.287 78.766 1.00 61.18 ? 1259 HOH A O 1 HETATM 3540 O O . HOH M 4 . ? 16.993 88.123 63.424 1.00 51.13 ? 1260 HOH A O 1 HETATM 3541 O O . HOH M 4 . ? 14.491 78.978 64.315 1.00 60.35 ? 1261 HOH A O 1 HETATM 3542 O O . HOH M 4 . ? 15.581 58.537 86.044 1.00 73.69 ? 1262 HOH A O 1 HETATM 3543 O O . HOH M 4 . ? 31.335 88.082 66.975 1.00 56.68 ? 1263 HOH A O 1 HETATM 3544 O O . HOH M 4 . ? 6.393 78.232 68.480 1.00 62.39 ? 1264 HOH A O 1 HETATM 3545 O O . HOH M 4 . ? 7.466 82.439 83.889 1.00 60.73 ? 1265 HOH A O 1 HETATM 3546 O O . HOH M 4 . ? 3.028 77.475 80.829 1.00 51.01 ? 1266 HOH A O 1 HETATM 3547 O O . HOH M 4 . ? 1.456 73.318 81.879 1.00 80.92 ? 1267 HOH A O 1 HETATM 3548 O O . HOH M 4 . ? 12.609 72.679 58.256 1.00 48.96 ? 1268 HOH A O 1 HETATM 3549 O O . HOH M 4 . ? 32.283 69.575 62.192 1.00 57.92 ? 1269 HOH A O 1 HETATM 3550 O O . HOH M 4 . ? 18.370 58.786 57.459 1.00 47.77 ? 1270 HOH A O 1 HETATM 3551 O O . HOH M 4 . ? 29.226 46.005 69.555 1.00 54.59 ? 1271 HOH A O 1 HETATM 3552 O O . HOH M 4 . ? 32.286 75.356 76.098 1.00 65.98 ? 1272 HOH A O 1 HETATM 3553 O O . HOH M 4 . ? 29.411 79.090 77.555 1.00 64.56 ? 1273 HOH A O 1 HETATM 3554 O O . HOH M 4 . ? 30.057 85.091 64.457 1.00 61.78 ? 1274 HOH A O 1 HETATM 3555 O O . HOH M 4 . ? 32.941 74.943 63.426 1.00 50.96 ? 1275 HOH A O 1 HETATM 3556 O O . HOH M 4 . ? 24.214 71.567 60.021 1.00 49.35 ? 1276 HOH A O 1 HETATM 3557 O O . HOH M 4 . ? 23.537 79.337 59.181 1.00 80.90 ? 1277 HOH A O 1 HETATM 3558 O O . HOH M 4 . ? 7.273 43.715 73.705 1.00 64.84 ? 1278 HOH A O 1 HETATM 3559 O O . HOH M 4 . ? 8.989 45.624 69.700 1.00 72.82 ? 1279 HOH A O 1 HETATM 3560 O O . HOH M 4 . ? 17.303 101.593 70.896 1.00 67.20 ? 1280 HOH A O 1 HETATM 3561 O O . HOH M 4 . ? 3.692 61.291 81.363 1.00 67.28 ? 1281 HOH A O 1 HETATM 3562 O O . HOH M 4 . ? 27.312 68.699 81.093 1.00 63.57 ? 1282 HOH A O 1 HETATM 3563 O O . HOH M 4 . ? 32.485 68.902 75.981 1.00 64.80 ? 1283 HOH A O 1 HETATM 3564 O O . HOH M 4 . ? 29.000 82.047 78.748 1.00 63.58 ? 1284 HOH A O 1 HETATM 3565 O O . HOH M 4 . ? 2.339 70.288 74.807 1.00 70.66 ? 1285 HOH A O 1 HETATM 3566 O O . HOH M 4 . ? 27.364 102.509 54.037 1.00 53.85 ? 1286 HOH A O 1 HETATM 3567 O O . HOH M 4 . ? 19.104 60.437 55.790 1.00 55.54 ? 1287 HOH A O 1 HETATM 3568 O O . HOH N 4 . ? 39.595 68.253 108.686 1.00 64.90 ? 1101 HOH B O 1 HETATM 3569 O O . HOH N 4 . ? 40.479 68.416 104.799 1.00 64.26 ? 1102 HOH B O 1 HETATM 3570 O O . HOH N 4 . ? 35.905 48.031 103.600 1.00 52.93 ? 1103 HOH B O 1 HETATM 3571 O O . HOH N 4 . ? 16.645 45.491 106.984 1.00 64.78 ? 1104 HOH B O 1 HETATM 3572 O O . HOH N 4 . ? 15.944 44.698 93.939 1.00 62.59 ? 1105 HOH B O 1 HETATM 3573 O O . HOH N 4 . ? 16.537 41.844 92.156 1.00 76.50 ? 1106 HOH B O 1 HETATM 3574 O O . HOH N 4 . ? 14.106 63.499 100.532 1.00 54.21 ? 1107 HOH B O 1 HETATM 3575 O O . HOH N 4 . ? 33.470 29.658 97.706 1.00 57.25 ? 1108 HOH B O 1 HETATM 3576 O O . HOH N 4 . ? 22.806 33.734 83.278 1.00 73.39 ? 1109 HOH B O 1 HETATM 3577 O O . HOH N 4 . ? 52.800 53.935 108.323 1.00 68.69 ? 1110 HOH B O 1 HETATM 3578 O O . HOH N 4 . ? 47.643 46.911 112.915 1.00 76.94 ? 1111 HOH B O 1 HETATM 3579 O O . HOH N 4 . ? 29.445 40.657 109.447 1.00 27.26 ? 1112 HOH B O 1 HETATM 3580 O O . HOH N 4 . ? 37.196 52.450 106.621 1.00 34.80 ? 1113 HOH B O 1 HETATM 3581 O O . HOH N 4 . ? 37.815 48.556 107.232 1.00 34.04 ? 1114 HOH B O 1 HETATM 3582 O O . HOH N 4 . ? 44.871 48.543 115.376 1.00 33.96 ? 1115 HOH B O 1 HETATM 3583 O O . HOH N 4 . ? 32.521 46.467 96.610 1.00 33.60 ? 1116 HOH B O 1 HETATM 3584 O O . HOH N 4 . ? 30.688 39.608 103.457 1.00 27.26 ? 1117 HOH B O 1 HETATM 3585 O O . HOH N 4 . ? 34.669 47.813 122.637 1.00 31.84 ? 1118 HOH B O 1 HETATM 3586 O O . HOH N 4 . ? 14.521 57.680 98.623 1.00 44.34 ? 1119 HOH B O 1 HETATM 3587 O O . HOH N 4 . ? 24.520 44.580 105.719 1.00 33.73 ? 1120 HOH B O 1 HETATM 3588 O O . HOH N 4 . ? 16.277 58.964 91.706 1.00 44.43 ? 1121 HOH B O 1 HETATM 3589 O O . HOH N 4 . ? 25.078 53.280 97.399 1.00 32.64 ? 1122 HOH B O 1 HETATM 3590 O O . HOH N 4 . ? 29.343 54.180 91.709 1.00 43.65 ? 1123 HOH B O 1 HETATM 3591 O O . HOH N 4 . ? 21.878 44.803 103.830 1.00 37.73 ? 1124 HOH B O 1 HETATM 3592 O O . HOH N 4 . ? 16.958 58.354 103.135 1.00 43.79 ? 1125 HOH B O 1 HETATM 3593 O O . HOH N 4 . ? 34.402 45.889 102.067 1.00 40.50 ? 1126 HOH B O 1 HETATM 3594 O O . HOH N 4 . ? 15.361 54.424 91.647 1.00 58.41 ? 1127 HOH B O 1 HETATM 3595 O O . HOH N 4 . ? 40.501 50.982 120.272 1.00 31.76 ? 1128 HOH B O 1 HETATM 3596 O O . HOH N 4 . ? 21.882 48.336 85.153 1.00 43.17 ? 1129 HOH B O 1 HETATM 3597 O O . HOH N 4 . ? 23.877 62.656 88.176 1.00 46.74 ? 1130 HOH B O 1 HETATM 3598 O O . HOH N 4 . ? 19.215 50.295 112.684 1.00 37.59 ? 1131 HOH B O 1 HETATM 3599 O O . HOH N 4 . ? 16.774 55.649 108.987 1.00 51.04 ? 1132 HOH B O 1 HETATM 3600 O O . HOH N 4 . ? 39.611 65.572 115.539 1.00 43.49 ? 1133 HOH B O 1 HETATM 3601 O O . HOH N 4 . ? 27.288 57.637 92.202 1.00 42.16 ? 1134 HOH B O 1 HETATM 3602 O O . HOH N 4 . ? 16.333 51.667 107.905 1.00 39.83 ? 1135 HOH B O 1 HETATM 3603 O O . HOH N 4 . ? 15.302 57.178 101.090 1.00 42.84 ? 1136 HOH B O 1 HETATM 3604 O O . HOH N 4 . ? 29.331 53.471 118.976 1.00 44.29 ? 1137 HOH B O 1 HETATM 3605 O O . HOH N 4 . ? 13.088 54.285 95.872 1.00 53.12 ? 1138 HOH B O 1 HETATM 3606 O O . HOH N 4 . ? 36.200 40.829 98.482 1.00 30.87 ? 1139 HOH B O 1 HETATM 3607 O O . HOH N 4 . ? 15.679 53.160 89.141 1.00 48.05 ? 1140 HOH B O 1 HETATM 3608 O O . HOH N 4 . ? 26.700 67.351 112.403 1.00 67.90 ? 1141 HOH B O 1 HETATM 3609 O O . HOH N 4 . ? 23.644 67.965 92.357 1.00 46.95 ? 1142 HOH B O 1 HETATM 3610 O O . HOH N 4 . ? 18.826 44.366 104.062 1.00 75.02 ? 1143 HOH B O 1 HETATM 3611 O O . HOH N 4 . ? 51.653 57.701 110.001 1.00 57.39 ? 1144 HOH B O 1 HETATM 3612 O O . HOH N 4 . ? 24.368 57.672 116.569 1.00 57.75 ? 1145 HOH B O 1 HETATM 3613 O O . HOH N 4 . ? 42.927 48.964 100.759 1.00 71.26 ? 1146 HOH B O 1 HETATM 3614 O O . HOH N 4 . ? 20.974 36.311 102.508 1.00 57.97 ? 1147 HOH B O 1 HETATM 3615 O O . HOH N 4 . ? 32.290 45.090 109.721 1.00 54.75 ? 1148 HOH B O 1 HETATM 3616 O O . HOH N 4 . ? 39.361 54.444 96.151 1.00 50.43 ? 1149 HOH B O 1 HETATM 3617 O O . HOH N 4 . ? 31.883 58.846 122.540 1.00 39.02 ? 1150 HOH B O 1 HETATM 3618 O O . HOH N 4 . ? 23.499 55.097 91.609 1.00 39.23 ? 1151 HOH B O 1 HETATM 3619 O O . HOH N 4 . ? 32.148 50.570 111.902 1.00 41.57 ? 1152 HOH B O 1 HETATM 3620 O O . HOH N 4 . ? 15.148 52.549 101.346 1.00 54.83 ? 1153 HOH B O 1 HETATM 3621 O O . HOH N 4 . ? 23.348 57.999 104.879 1.00 45.37 ? 1154 HOH B O 1 HETATM 3622 O O . HOH N 4 . ? 34.326 62.338 95.301 1.00 58.71 ? 1155 HOH B O 1 HETATM 3623 O O . HOH N 4 . ? 28.821 47.464 106.287 1.00 45.47 ? 1156 HOH B O 1 HETATM 3624 O O . HOH N 4 . ? 35.966 46.730 113.933 1.00 52.17 ? 1157 HOH B O 1 HETATM 3625 O O . HOH N 4 . ? 32.409 45.736 112.713 1.00 57.94 ? 1158 HOH B O 1 HETATM 3626 O O . HOH N 4 . ? 24.320 58.511 88.678 1.00 38.20 ? 1159 HOH B O 1 HETATM 3627 O O . HOH N 4 . ? 15.167 56.919 90.524 1.00 57.56 ? 1160 HOH B O 1 HETATM 3628 O O . HOH N 4 . ? 15.892 48.811 99.272 1.00 61.50 ? 1161 HOH B O 1 HETATM 3629 O O . HOH N 4 . ? 42.226 67.458 108.589 1.00 58.89 ? 1162 HOH B O 1 HETATM 3630 O O . HOH N 4 . ? 46.742 64.172 103.500 1.00 56.85 ? 1163 HOH B O 1 HETATM 3631 O O . HOH N 4 . ? 31.147 48.765 89.659 1.00 57.85 ? 1164 HOH B O 1 HETATM 3632 O O . HOH N 4 . ? 29.222 56.970 90.609 1.00 64.70 ? 1165 HOH B O 1 HETATM 3633 O O . HOH N 4 . ? 32.100 63.641 96.601 1.00 54.57 ? 1166 HOH B O 1 HETATM 3634 O O . HOH N 4 . ? 45.362 60.392 100.914 1.00 64.18 ? 1167 HOH B O 1 HETATM 3635 O O . HOH N 4 . ? 44.880 57.904 99.679 1.00 51.22 ? 1168 HOH B O 1 HETATM 3636 O O . HOH N 4 . ? 32.671 48.376 120.630 1.00 40.13 ? 1169 HOH B O 1 HETATM 3637 O O . HOH N 4 . ? 18.977 63.086 90.766 1.00 58.58 ? 1170 HOH B O 1 HETATM 3638 O O . HOH N 4 . ? 35.529 37.908 97.599 1.00 56.20 ? 1171 HOH B O 1 HETATM 3639 O O . HOH N 4 . ? 26.795 56.311 87.104 1.00 62.03 ? 1172 HOH B O 1 HETATM 3640 O O . HOH N 4 . ? 22.164 55.746 84.174 1.00 69.16 ? 1173 HOH B O 1 HETATM 3641 O O . HOH N 4 . ? 22.994 52.740 84.234 1.00 58.55 ? 1174 HOH B O 1 HETATM 3642 O O . HOH N 4 . ? 15.173 44.628 85.510 1.00 63.97 ? 1175 HOH B O 1 HETATM 3643 O O . HOH N 4 . ? 22.642 52.006 98.367 1.00 52.29 ? 1176 HOH B O 1 HETATM 3644 O O . HOH N 4 . ? 30.393 40.478 96.556 1.00 42.98 ? 1177 HOH B O 1 HETATM 3645 O O . HOH N 4 . ? 30.450 50.066 113.278 1.00 55.23 ? 1178 HOH B O 1 HETATM 3646 O O . HOH N 4 . ? 35.340 43.224 114.700 1.00 62.15 ? 1179 HOH B O 1 HETATM 3647 O O . HOH N 4 . ? 21.981 60.215 106.193 1.00 61.35 ? 1180 HOH B O 1 HETATM 3648 O O . HOH N 4 . ? 51.044 56.590 120.445 1.00 46.58 ? 1181 HOH B O 1 HETATM 3649 O O . HOH N 4 . ? 14.646 52.378 85.086 1.00 71.49 ? 1182 HOH B O 1 HETATM 3650 O O . HOH N 4 . ? 20.028 64.972 114.576 1.00 60.82 ? 1183 HOH B O 1 HETATM 3651 O O . HOH N 4 . ? 39.398 42.001 108.962 1.00 52.82 ? 1184 HOH B O 1 HETATM 3652 O O . HOH N 4 . ? 21.438 27.335 90.775 1.00 61.84 ? 1185 HOH B O 1 HETATM 3653 O O . HOH N 4 . ? 19.135 47.676 81.951 1.00 62.39 ? 1186 HOH B O 1 HETATM 3654 O O . HOH N 4 . ? 23.055 41.563 80.145 1.00 77.25 ? 1187 HOH B O 1 HETATM 3655 O O . HOH N 4 . ? 37.134 42.634 93.496 1.00 59.48 ? 1188 HOH B O 1 HETATM 3656 O O . HOH N 4 . ? 23.754 35.087 100.144 1.00 54.98 ? 1189 HOH B O 1 HETATM 3657 O O . HOH N 4 . ? 20.984 38.545 100.542 1.00 45.56 ? 1190 HOH B O 1 HETATM 3658 O O . HOH N 4 . ? 19.924 40.391 98.523 1.00 55.94 ? 1191 HOH B O 1 HETATM 3659 O O . HOH N 4 . ? 15.529 49.546 104.773 1.00 72.99 ? 1192 HOH B O 1 HETATM 3660 O O . HOH N 4 . ? 15.767 45.677 102.747 1.00 76.58 ? 1193 HOH B O 1 HETATM 3661 O O . HOH N 4 . ? 17.596 43.934 101.312 1.00 65.52 ? 1194 HOH B O 1 HETATM 3662 O O . HOH N 4 . ? 35.422 54.971 93.651 1.00 53.48 ? 1195 HOH B O 1 HETATM 3663 O O . HOH N 4 . ? 35.733 51.549 92.766 1.00 84.97 ? 1196 HOH B O 1 HETATM 3664 O O . HOH N 4 . ? 39.520 44.595 97.140 1.00 61.28 ? 1197 HOH B O 1 HETATM 3665 O O . HOH N 4 . ? 40.781 48.580 98.524 1.00 80.71 ? 1198 HOH B O 1 HETATM 3666 O O . HOH N 4 . ? 16.259 64.601 94.169 1.00 55.49 ? 1199 HOH B O 1 HETATM 3667 O O . HOH N 4 . ? 14.645 61.197 92.167 1.00 55.62 ? 1200 HOH B O 1 HETATM 3668 O O . HOH N 4 . ? 16.693 64.801 101.997 1.00 59.32 ? 1201 HOH B O 1 HETATM 3669 O O . HOH N 4 . ? 13.421 60.262 98.270 1.00 57.29 ? 1202 HOH B O 1 HETATM 3670 O O . HOH N 4 . ? 35.911 42.721 117.304 1.00 55.73 ? 1203 HOH B O 1 HETATM 3671 O O . HOH N 4 . ? 26.209 54.140 111.344 1.00 45.59 ? 1204 HOH B O 1 HETATM 3672 O O . HOH N 4 . ? 25.244 51.249 111.421 1.00 62.82 ? 1205 HOH B O 1 HETATM 3673 O O . HOH N 4 . ? 30.949 47.536 107.789 1.00 54.00 ? 1206 HOH B O 1 HETATM 3674 O O . HOH N 4 . ? 27.216 27.445 83.674 1.00 126.02 ? 1207 HOH B O 1 HETATM 3675 O O . HOH N 4 . ? 31.879 58.795 91.588 1.00 68.26 ? 1208 HOH B O 1 HETATM 3676 O O . HOH N 4 . ? 31.725 55.892 90.678 1.00 61.59 ? 1209 HOH B O 1 HETATM 3677 O O . HOH N 4 . ? 31.353 52.386 120.825 1.00 44.50 ? 1210 HOH B O 1 HETATM 3678 O O . HOH N 4 . ? 18.113 42.614 83.558 1.00 58.73 ? 1211 HOH B O 1 HETATM 3679 O O . HOH N 4 . ? 30.751 74.882 109.846 1.00 71.37 ? 1212 HOH B O 1 HETATM 3680 O O . HOH N 4 . ? 20.784 72.303 104.642 1.00 70.89 ? 1213 HOH B O 1 HETATM 3681 O O . HOH N 4 . ? 18.417 64.047 106.549 1.00 67.71 ? 1214 HOH B O 1 HETATM 3682 O O . HOH N 4 . ? 28.257 60.944 118.535 1.00 56.90 ? 1215 HOH B O 1 HETATM 3683 O O . HOH N 4 . ? 55.757 57.311 114.766 1.00 81.47 ? 1216 HOH B O 1 HETATM 3684 O O . HOH N 4 . ? 51.016 51.686 119.126 1.00 56.39 ? 1217 HOH B O 1 HETATM 3685 O O . HOH N 4 . ? 52.420 49.769 112.035 1.00 77.69 ? 1218 HOH B O 1 HETATM 3686 O O . HOH N 4 . ? 55.502 45.938 113.156 1.00 83.06 ? 1219 HOH B O 1 HETATM 3687 O O . HOH N 4 . ? 18.799 38.571 93.795 1.00 76.54 ? 1220 HOH B O 1 HETATM 3688 O O . HOH N 4 . ? 14.121 46.557 95.476 1.00 75.05 ? 1221 HOH B O 1 HETATM 3689 O O . HOH N 4 . ? 25.121 31.963 82.011 1.00 91.78 ? 1222 HOH B O 1 HETATM 3690 O O . HOH N 4 . ? 24.537 35.941 95.547 1.00 55.11 ? 1223 HOH B O 1 HETATM 3691 O O . HOH N 4 . ? 29.175 30.914 99.093 1.00 54.70 ? 1224 HOH B O 1 HETATM 3692 O O . HOH N 4 . ? 29.721 52.046 84.907 1.00 48.30 ? 1225 HOH B O 1 HETATM 3693 O O . HOH N 4 . ? 32.693 63.452 90.703 1.00 72.78 ? 1226 HOH B O 1 HETATM 3694 O O . HOH N 4 . ? 14.873 50.943 80.689 1.00 57.91 ? 1227 HOH B O 1 HETATM 3695 O O . HOH N 4 . ? 43.831 52.144 108.957 1.00 62.71 ? 1228 HOH B O 1 HETATM 3696 O O . HOH N 4 . ? 42.958 48.253 108.028 1.00 68.52 ? 1229 HOH B O 1 HETATM 3697 O O . HOH N 4 . ? 52.128 47.544 114.003 1.00 138.09 ? 1230 HOH B O 1 HETATM 3698 O O . HOH N 4 . ? 12.677 55.822 98.369 1.00 57.11 ? 1231 HOH B O 1 HETATM 3699 O O . HOH N 4 . ? 16.756 50.238 111.695 1.00 74.20 ? 1232 HOH B O 1 HETATM 3700 O O . HOH N 4 . ? 37.752 44.732 116.083 1.00 58.20 ? 1233 HOH B 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 . GLY A 2 ? 1.0799 0.7743 0.9901 0.3089 0.2100 0.0758 380 GLY A N 2 C CA . GLY A 2 ? 0.9459 0.8511 0.9788 0.0990 0.0368 -0.0320 380 GLY A CA 3 C C . GLY A 2 ? 0.9069 0.7250 0.9310 0.0199 0.0039 -0.0235 380 GLY A C 4 O O . GLY A 2 ? 0.9501 0.9054 0.9441 -0.0156 -0.0443 0.2309 380 GLY A O 5 N N . VAL A 3 ? 0.7214 0.7005 0.7090 0.1089 -0.0850 -0.0464 381 VAL A N 6 C CA . VAL A 3 ? 0.6226 0.7240 0.6247 0.0533 -0.0638 0.0298 381 VAL A CA 7 C C . VAL A 3 ? 0.5789 0.6321 0.4852 0.0618 0.0235 0.0370 381 VAL A C 8 O O . VAL A 3 ? 0.4907 0.4197 0.4666 0.2205 -0.0821 0.0920 381 VAL A O 9 C CB . VAL A 3 ? 0.7636 0.7411 0.7285 -0.0117 -0.0425 -0.0244 381 VAL A CB 10 C CG1 . VAL A 3 ? 0.4170 0.8228 0.7730 0.0546 -0.0214 0.0368 381 VAL A CG1 11 C CG2 . VAL A 3 ? 0.8158 1.0546 0.6918 0.0362 -0.0572 -0.0291 381 VAL A CG2 12 N N . GLU A 4 ? 0.5693 0.6054 0.3675 0.1098 0.0162 0.0999 382 GLU A N 13 C CA . GLU A 4 ? 0.5455 0.5465 0.5584 0.0522 -0.0378 0.0815 382 GLU A CA 14 C C . GLU A 4 ? 0.5462 0.5253 0.4399 0.0622 -0.0486 0.0105 382 GLU A C 15 O O . GLU A 4 ? 0.4408 0.4728 0.3789 0.0764 -0.0768 0.0602 382 GLU A O 16 C CB . GLU A 4 ? 0.4630 0.6455 0.6471 0.1158 -0.0521 0.1017 382 GLU A CB 17 C CG . GLU A 4 ? 0.7881 0.6661 0.7408 0.0522 -0.0937 0.1533 382 GLU A CG 18 C CD . GLU A 4 ? 0.8873 1.0382 1.0526 -0.0181 0.0530 0.0410 382 GLU A CD 19 O OE1 . GLU A 4 ? 1.3129 1.0081 1.1674 -0.0108 -0.0993 0.0310 382 GLU A OE1 20 O OE2 . GLU A 4 ? 0.9604 1.1139 1.2846 0.0709 -0.0094 0.2525 382 GLU A OE2 21 N N . CYS A 5 ? 0.5187 0.4497 0.4426 0.1160 -0.0329 -0.0227 383 CYS A N 22 C CA . CYS A 5 ? 0.5416 0.4604 0.4747 0.1085 -0.0115 0.0243 383 CYS A CA 23 C C . CYS A 5 ? 0.4551 0.4204 0.4871 0.0977 -0.0507 0.0162 383 CYS A C 24 O O . CYS A 5 ? 0.4797 0.3996 0.5809 0.1048 0.0131 0.0721 383 CYS A O 25 C CB . CYS A 5 ? 0.5934 0.4265 0.4867 0.0317 -0.0310 0.0340 383 CYS A CB 26 S SG . CYS A 5 ? 0.5451 0.5195 0.4967 0.0136 -0.0828 0.0062 383 CYS A SG 27 N N . ASP A 6 ? 0.4268 0.4495 0.5303 0.0914 -0.0356 -0.0167 384 ASP A N 28 C CA . ASP A 6 ? 0.5077 0.4922 0.4375 0.0445 -0.0223 -0.0100 384 ASP A CA 29 C C . ASP A 6 ? 0.4380 0.4465 0.4731 0.0213 0.0385 -0.0415 384 ASP A C 30 O O . ASP A 6 ? 0.3983 0.4319 0.3884 0.0509 0.0246 0.0240 384 ASP A O 31 C CB . ASP A 6 ? 0.5647 0.5280 0.4296 0.0571 -0.0506 -0.0357 384 ASP A CB 32 C CG . ASP A 6 ? 0.5715 0.6469 0.5523 0.0338 0.0152 -0.0858 384 ASP A CG 33 O OD1 . ASP A 6 ? 0.5655 0.7200 0.5048 0.0975 0.0547 -0.0526 384 ASP A OD1 34 O OD2 . ASP A 6 ? 0.5586 0.6686 0.7665 0.0909 -0.0748 -0.1742 384 ASP A OD2 35 N N . PHE A 7 ? 0.4616 0.4610 0.4124 0.0132 -0.0438 -0.0243 385 PHE A N 36 C CA . PHE A 7 ? 0.4105 0.4874 0.4785 0.0285 -0.0200 -0.0334 385 PHE A CA 37 C C . PHE A 7 ? 0.4326 0.4940 0.4624 0.0882 -0.0391 0.0172 385 PHE A C 38 O O . PHE A 7 ? 0.4406 0.4809 0.4340 0.0888 -0.0561 0.0839 385 PHE A O 39 C CB . PHE A 7 ? 0.3903 0.4105 0.5327 0.0469 -0.0378 -0.0364 385 PHE A CB 40 C CG . PHE A 7 ? 0.4591 0.4773 0.4500 0.0082 -0.0462 0.0080 385 PHE A CG 41 C CD1 . PHE A 7 ? 0.5130 0.4873 0.5139 -0.0527 -0.0387 -0.0013 385 PHE A CD1 42 C CD2 . PHE A 7 ? 0.5457 0.4956 0.4747 0.0334 -0.0004 -0.0132 385 PHE A CD2 43 C CE1 . PHE A 7 ? 0.5309 0.4740 0.5124 -0.0029 -0.0997 -0.0570 385 PHE A CE1 44 C CE2 . PHE A 7 ? 0.6232 0.5585 0.5113 0.0829 0.0440 -0.0144 385 PHE A CE2 45 C CZ . PHE A 7 ? 0.4815 0.4376 0.5037 0.0362 -0.1876 0.0077 385 PHE A CZ 46 N N . SER A 8 ? 0.4497 0.4689 0.4167 0.0208 -0.0178 0.0306 386 SER A N 47 C CA . SER A 8 ? 0.4596 0.4775 0.4606 0.0552 -0.0107 0.0285 386 SER A CA 48 C C . SER A 8 ? 0.4068 0.4733 0.3417 0.0125 -0.0455 -0.0033 386 SER A C 49 O O . SER A 8 ? 0.4798 0.6018 0.3313 0.1118 -0.0589 -0.0151 386 SER A O 50 C CB . SER A 8 ? 0.4427 0.6946 0.3937 0.0596 -0.0395 -0.0130 386 SER A CB 51 O OG . SER A 8 ? 0.4664 0.7847 0.5907 0.1670 -0.2515 0.0423 386 SER A OG 52 N N . PRO A 9 ? 0.4110 0.4381 0.3537 0.0453 -0.0332 0.0198 387 PRO A N 53 C CA . PRO A 9 ? 0.4038 0.4413 0.4751 0.0424 0.0089 -0.0391 387 PRO A CA 54 C C . PRO A 9 ? 0.4711 0.3923 0.4248 0.0244 -0.0276 -0.0382 387 PRO A C 55 O O . PRO A 9 ? 0.4081 0.3756 0.3974 -0.0002 -0.0625 -0.0868 387 PRO A O 56 C CB . PRO A 9 ? 0.4004 0.5100 0.5027 0.0138 -0.0153 -0.0155 387 PRO A CB 57 C CG . PRO A 9 ? 0.4257 0.5006 0.5968 0.0087 -0.0740 -0.0134 387 PRO A CG 58 C CD . PRO A 9 ? 0.3743 0.4751 0.4487 0.0208 -0.0460 0.0328 387 PRO A CD 59 N N . LEU A 10 ? 0.4922 0.3949 0.3799 0.0440 -0.0143 -0.0124 388 LEU A N 60 C CA . LEU A 10 ? 0.4229 0.4173 0.4471 -0.0532 -0.0250 0.0128 388 LEU A CA 61 C C . LEU A 10 ? 0.4846 0.4138 0.3896 0.0465 0.0013 0.0148 388 LEU A C 62 O O . LEU A 10 ? 0.5112 0.4075 0.3619 0.0456 -0.0929 0.0747 388 LEU A O 63 C CB . LEU A 10 ? 0.5267 0.5076 0.4252 0.0251 0.0082 0.0034 388 LEU A CB 64 C CG . LEU A 10 ? 0.5298 0.7463 0.5348 -0.1110 -0.0615 -0.0497 388 LEU A CG 65 C CD1 . LEU A 10 ? 0.5825 0.8785 0.6392 0.0026 0.0184 -0.0922 388 LEU A CD1 66 C CD2 . LEU A 10 ? 0.6502 0.6461 0.5930 -0.0645 -0.0438 0.1491 388 LEU A CD2 67 N N . LEU A 11 ? 0.4506 0.3999 0.3271 0.0308 -0.0212 -0.0110 389 LEU A N 68 C CA . LEU A 11 ? 0.3677 0.3571 0.3902 0.0440 -0.0403 -0.0062 389 LEU A CA 69 C C . LEU A 11 ? 0.4073 0.4186 0.3662 0.0264 -0.0533 0.0013 389 LEU A C 70 O O . LEU A 11 ? 0.5000 0.4632 0.3409 0.0547 -0.0158 0.0494 389 LEU A O 71 C CB . LEU A 11 ? 0.3153 0.3390 0.3252 0.0675 -0.0416 0.0339 389 LEU A CB 72 C CG . LEU A 11 ? 0.3780 0.3399 0.3969 0.0431 -0.1099 -0.0050 389 LEU A CG 73 C CD1 . LEU A 11 ? 0.4002 0.3471 0.4122 0.0573 -0.1092 0.0147 389 LEU A CD1 74 C CD2 . LEU A 11 ? 0.3642 0.3761 0.4436 0.0947 -0.1035 0.1377 389 LEU A CD2 75 N N . SER A 12 ? 0.4211 0.4187 0.4085 0.0474 -0.1508 0.0058 390 SER A N 76 C CA . SER A 12 ? 0.5188 0.4461 0.4507 0.0283 -0.1404 -0.0215 390 SER A CA 77 C C . SER A 12 ? 0.4855 0.4510 0.3957 0.0655 -0.0424 -0.0380 390 SER A C 78 O O . SER A 12 ? 0.4359 0.4355 0.6665 0.0987 -0.0609 0.0875 390 SER A O 79 C CB . SER A 12 ? 0.5119 0.5982 0.5177 -0.0145 -0.1837 0.0345 390 SER A CB 80 O OG . SER A 12 ? 0.8006 0.7321 0.7098 -0.1255 -0.2217 -0.0897 390 SER A OG 81 N N . GLY A 13 ? 0.4936 0.4650 0.3776 0.0958 -0.0592 -0.0044 391 GLY A N 82 C CA . GLY A 13 ? 0.5375 0.4301 0.3587 0.0606 -0.0484 -0.0028 391 GLY A CA 83 C C . GLY A 13 ? 0.4223 0.3724 0.3563 0.0132 -0.0263 -0.0166 391 GLY A C 84 O O . GLY A 13 ? 0.4556 0.4755 0.4078 -0.0464 -0.0526 -0.0276 391 GLY A O 85 N N . THR A 14 ? 0.4596 0.3847 0.3379 -0.0108 -0.0445 -0.0386 392 THR A N 86 C CA . THR A 14 ? 0.4524 0.3435 0.3243 -0.0148 0.0020 -0.0199 392 THR A CA 87 C C . THR A 14 ? 0.3786 0.3173 0.3503 -0.0333 -0.0173 -0.0173 392 THR A C 88 O O . THR A 14 ? 0.3466 0.3529 0.3787 -0.0217 0.0012 0.0114 392 THR A O 89 C CB . THR A 14 ? 0.4603 0.3924 0.3924 0.0951 0.0523 0.0063 392 THR A CB 90 O OG1 . THR A 14 ? 0.5923 0.3587 0.3274 0.0561 0.0328 -0.0260 392 THR A OG1 91 C CG2 . THR A 14 ? 0.3545 0.3297 0.3930 -0.0077 -0.0053 -0.0086 392 THR A CG2 92 N N . PRO A 15 ? 0.3413 0.3146 0.3015 -0.0415 0.0122 0.0064 393 PRO A N 93 C CA . PRO A 15 ? 0.3348 0.3092 0.3162 -0.0364 0.0086 -0.0003 393 PRO A CA 94 C C . PRO A 15 ? 0.2707 0.2981 0.3272 -0.0299 0.0046 -0.0076 393 PRO A C 95 O O . PRO A 15 ? 0.3061 0.3129 0.3630 -0.0124 0.0418 0.0043 393 PRO A O 96 C CB . PRO A 15 ? 0.3076 0.2749 0.3194 -0.0408 0.0397 -0.0199 393 PRO A CB 97 C CG . PRO A 15 ? 0.3159 0.3154 0.2871 -0.0187 0.0502 0.0032 393 PRO A CG 98 C CD . PRO A 15 ? 0.2937 0.2839 0.2819 -0.0095 0.0283 -0.0073 393 PRO A CD 99 N N . PRO A 16 ? 0.2805 0.2965 0.2550 0.0287 0.0300 0.0201 394 PRO A N 100 C CA . PRO A 16 ? 0.2653 0.2545 0.2810 0.0202 0.0165 -0.0589 394 PRO A CA 101 C C . PRO A 16 ? 0.3008 0.2619 0.3000 0.0109 0.0134 -0.0102 394 PRO A C 102 O O . PRO A 16 ? 0.2566 0.3183 0.3157 0.0247 -0.0215 -0.0486 394 PRO A O 103 C CB . PRO A 16 ? 0.2592 0.2532 0.3348 0.0091 0.0054 -0.0434 394 PRO A CB 104 C CG . PRO A 16 ? 0.2495 0.2377 0.2569 0.0144 0.0038 -0.0152 394 PRO A CG 105 C CD . PRO A 16 ? 0.2824 0.2182 0.2559 -0.0010 0.0113 -0.0375 394 PRO A CD 106 N N . GLN A 17 ? 0.2743 0.2515 0.2585 -0.0018 0.0174 -0.0140 395 GLN A N 107 C CA . GLN A 17 ? 0.2763 0.2706 0.2725 0.0183 -0.0025 -0.0347 395 GLN A CA 108 C C . GLN A 17 ? 0.2646 0.2925 0.2704 0.0176 -0.0101 -0.0397 395 GLN A C 109 O O . GLN A 17 ? 0.2550 0.3108 0.2527 -0.0192 -0.0220 -0.0377 395 GLN A O 110 C CB . GLN A 17 ? 0.1883 0.2663 0.2937 0.0152 0.0017 -0.0109 395 GLN A CB 111 C CG . GLN A 17 ? 0.2604 0.2821 0.2491 0.0329 0.0105 0.0166 395 GLN A CG 112 C CD . GLN A 17 ? 0.2644 0.3190 0.2671 0.0201 0.0214 -0.0024 395 GLN A CD 113 O OE1 . GLN A 17 ? 0.2233 0.3025 0.2967 0.0112 0.0143 0.0152 395 GLN A OE1 114 N NE2 . GLN A 17 ? 0.3330 0.2984 0.2781 0.0840 0.0626 -0.0017 395 GLN A NE2 115 N N . VAL A 18 ? 0.2508 0.2378 0.2636 -0.0007 -0.0082 -0.0260 396 VAL A N 116 C CA . VAL A 18 ? 0.2666 0.2395 0.2421 -0.0232 0.0070 0.0066 396 VAL A CA 117 C C . VAL A 18 ? 0.2415 0.2782 0.3070 -0.0091 -0.0066 -0.0483 396 VAL A C 118 O O . VAL A 18 ? 0.2089 0.3047 0.3324 0.0031 -0.0277 -0.0135 396 VAL A O 119 C CB . VAL A 18 ? 0.2344 0.2554 0.2664 -0.0046 -0.0012 -0.0254 396 VAL A CB 120 C CG1 . VAL A 18 ? 0.2858 0.2550 0.2081 -0.0130 0.0032 0.0249 396 VAL A CG1 121 C CG2 . VAL A 18 ? 0.2138 0.2636 0.2819 -0.0487 0.0129 -0.0329 396 VAL A CG2 122 N N . TYR A 19 ? 0.2289 0.2479 0.2990 0.0038 -0.0382 0.0066 397 TYR A N 123 C CA . TYR A 19 ? 0.2155 0.2625 0.2630 0.0117 0.0009 -0.0239 397 TYR A CA 124 C C . TYR A 19 ? 0.2552 0.3020 0.2666 -0.0040 -0.0157 0.0137 397 TYR A C 125 O O . TYR A 19 ? 0.2553 0.2388 0.3527 -0.0057 -0.0225 -0.0265 397 TYR A O 126 C CB . TYR A 19 ? 0.1561 0.2589 0.2380 -0.0043 -0.0173 -0.0128 397 TYR A CB 127 C CG . TYR A 19 ? 0.2282 0.2892 0.2537 -0.0020 -0.0007 -0.0283 397 TYR A CG 128 C CD1 . TYR A 19 ? 0.2188 0.2640 0.2580 0.0002 -0.0034 0.0248 397 TYR A CD1 129 C CD2 . TYR A 19 ? 0.1797 0.2714 0.2368 -0.0213 0.0031 0.0102 397 TYR A CD2 130 C CE1 . TYR A 19 ? 0.2325 0.2846 0.2442 -0.0191 -0.0136 0.0300 397 TYR A CE1 131 C CE2 . TYR A 19 ? 0.2323 0.2176 0.2658 -0.0110 0.0066 0.0079 397 TYR A CE2 132 C CZ . TYR A 19 ? 0.2379 0.3005 0.2725 -0.0078 -0.0002 -0.0132 397 TYR A CZ 133 O OH . TYR A 19 ? 0.1933 0.3848 0.2978 0.0197 0.0158 0.0078 397 TYR A OH 134 N N . ASN A 20 ? 0.2476 0.2436 0.2809 0.0089 0.0191 -0.0024 398 ASN A N 135 C CA . ASN A 20 ? 0.3151 0.2633 0.2478 -0.0079 0.0074 0.0062 398 ASN A CA 136 C C . ASN A 20 ? 0.2628 0.2734 0.2656 -0.0034 0.0130 -0.0098 398 ASN A C 137 O O . ASN A 20 ? 0.2586 0.3271 0.2806 -0.0276 -0.0120 0.0002 398 ASN A O 138 C CB . ASN A 20 ? 0.3513 0.3299 0.2964 -0.0523 0.0846 -0.0165 398 ASN A CB 139 C CG . ASN A 20 ? 0.4074 0.3511 0.3331 -0.0313 0.0414 -0.0639 398 ASN A CG 140 O OD1 . ASN A 20 ? 0.3212 0.4505 0.3843 -0.0706 0.0503 -0.1066 398 ASN A OD1 141 N ND2 . ASN A 20 ? 0.2668 0.4266 0.3580 -0.0082 0.0016 -0.0614 398 ASN A ND2 142 N N . PHE A 21 ? 0.2532 0.2588 0.2686 0.0015 0.0066 0.0000 399 PHE A N 143 C CA . PHE A 21 ? 0.2482 0.2593 0.2551 0.0041 0.0000 -0.0199 399 PHE A CA 144 C C . PHE A 21 ? 0.2586 0.2684 0.2992 -0.0071 -0.0088 0.0038 399 PHE A C 145 O O . PHE A 21 ? 0.2506 0.2542 0.3271 -0.0106 -0.0228 -0.0490 399 PHE A O 146 C CB . PHE A 21 ? 0.2367 0.2705 0.2472 -0.0389 -0.0056 -0.0099 399 PHE A CB 147 C CG . PHE A 21 ? 0.2227 0.2606 0.2507 -0.0097 -0.0023 -0.0375 399 PHE A CG 148 C CD1 . PHE A 21 ? 0.2171 0.2697 0.2243 -0.0285 -0.0162 -0.0423 399 PHE A CD1 149 C CD2 . PHE A 21 ? 0.2162 0.2556 0.2487 -0.0231 -0.0242 -0.0511 399 PHE A CD2 150 C CE1 . PHE A 21 ? 0.2464 0.3114 0.2163 0.0271 0.0274 -0.0679 399 PHE A CE1 151 C CE2 . PHE A 21 ? 0.2297 0.2689 0.2340 0.0134 -0.0053 -0.0301 399 PHE A CE2 152 C CZ . PHE A 21 ? 0.2386 0.2698 0.2720 0.0146 -0.0468 -0.0110 399 PHE A CZ 153 N N . LYS A 22 ? 0.3249 0.3029 0.2122 0.0008 0.0360 0.0004 400 LYS A N 154 C CA . LYS A 22 ? 0.2810 0.3015 0.3165 -0.0055 -0.0261 -0.0378 400 LYS A CA 155 C C . LYS A 22 ? 0.3021 0.3447 0.2466 -0.0054 -0.0031 -0.0199 400 LYS A C 156 O O . LYS A 22 ? 0.3203 0.2856 0.3266 0.0166 -0.0092 -0.0684 400 LYS A O 157 C CB . LYS A 22 ? 0.3994 0.3644 0.3471 -0.0635 0.0644 -0.0892 400 LYS A CB 158 C CG . LYS A 22 ? 0.6124 0.6605 0.4620 -0.1037 -0.0453 -0.0886 400 LYS A CG 159 C CD . LYS A 22 ? 0.7340 0.5757 0.7056 -0.0912 -0.1207 -0.1282 400 LYS A CD 160 C CE . LYS A 22 ? 0.8063 0.7034 0.7285 0.1035 0.0646 -0.2517 400 LYS A CE 161 N NZ . LYS A 22 ? 0.8332 0.6107 0.7470 -0.0476 -0.0263 -0.4899 400 LYS A NZ 162 N N . ARG A 23 ? 0.2862 0.3790 0.2811 -0.0271 -0.0165 -0.0080 401 ARG A N 163 C CA . ARG A 23 ? 0.3142 0.3595 0.4254 0.0159 -0.0152 -0.0268 401 ARG A CA 164 C C . ARG A 23 ? 0.3729 0.4011 0.3598 -0.0094 -0.0778 -0.0258 401 ARG A C 165 O O . ARG A 23 ? 0.2664 0.4132 0.4379 0.0405 -0.1180 -0.0258 401 ARG A O 166 C CB . ARG A 23 ? 0.4148 0.5243 0.3379 -0.0144 0.0529 -0.0109 401 ARG A CB 167 C CG . ARG A 23 ? 0.3141 0.5699 0.4936 0.0883 -0.1722 -0.1866 401 ARG A CG 168 C CD . ARG A 23 ? 0.5385 0.6187 0.4403 -0.0473 0.0152 -0.0923 401 ARG A CD 169 N NE . ARG A 23 ? 0.6443 0.4261 0.5305 -0.1046 0.0565 -0.0747 401 ARG A NE 170 C CZ . ARG A 23 ? 0.4687 0.3605 0.6083 -0.0093 -0.0388 0.0594 401 ARG A CZ 171 N NH1 . ARG A 23 ? 0.3079 0.2225 0.7720 0.0326 0.0893 -0.0992 401 ARG A NH1 172 N NH2 . ARG A 23 ? 0.3229 0.4778 0.7191 -0.0303 -0.0452 0.0334 401 ARG A NH2 173 N N . LEU A 24 ? 0.3898 0.3761 0.3634 0.0135 0.0120 -0.0766 402 LEU A N 174 C CA . LEU A 24 ? 0.3702 0.4301 0.3643 -0.0065 0.0011 -0.0108 402 LEU A CA 175 C C . LEU A 24 ? 0.3706 0.4813 0.3844 0.0186 -0.0441 -0.0679 402 LEU A C 176 O O . LEU A 24 ? 0.3740 0.4062 0.3199 0.0342 -0.0384 0.0503 402 LEU A O 177 C CB . LEU A 24 ? 0.4199 0.4405 0.3404 -0.0251 -0.0616 0.0924 402 LEU A CB 178 C CG . LEU A 24 ? 0.4865 0.4876 0.4880 -0.0094 0.0956 -0.0323 402 LEU A CG 179 C CD1 . LEU A 24 ? 0.4581 0.4185 0.5368 0.1300 0.1594 -0.0460 402 LEU A CD1 180 C CD2 . LEU A 24 ? 0.4026 0.3818 0.5081 0.0887 0.0728 -0.0699 402 LEU A CD2 181 N N . VAL A 25 ? 0.3950 0.4270 0.4131 0.0683 -0.0303 0.0342 403 VAL A N 182 C CA . VAL A 25 ? 0.3898 0.3612 0.4024 0.0049 -0.0309 -0.0347 403 VAL A CA 183 C C . VAL A 25 ? 0.3759 0.4225 0.4157 0.0482 -0.0357 -0.0308 403 VAL A C 184 O O . VAL A 25 ? 0.4719 0.4814 0.4677 0.0728 -0.0627 0.0797 403 VAL A O 185 C CB . VAL A 25 ? 0.3691 0.3666 0.4872 0.0401 0.0375 -0.0236 403 VAL A CB 186 C CG1 . VAL A 25 ? 0.2711 0.4077 0.5942 0.0946 0.0174 0.0119 403 VAL A CG1 187 C CG2 . VAL A 25 ? 0.3443 0.3889 0.3546 0.0353 -0.0593 -0.0449 403 VAL A CG2 188 N N . PHE A 26 ? 0.3122 0.3748 0.3868 0.0212 -0.0267 -0.0107 404 PHE A N 189 C CA . PHE A 26 ? 0.3521 0.3977 0.3818 0.0014 -0.0356 -0.0039 404 PHE A CA 190 C C . PHE A 26 ? 0.3734 0.3694 0.4065 -0.0015 -0.0553 -0.0736 404 PHE A C 191 O O . PHE A 26 ? 0.4056 0.3291 0.4203 0.1107 -0.0119 -0.0332 404 PHE A O 192 C CB . PHE A 26 ? 0.3650 0.4038 0.3504 -0.0215 -0.0227 0.0244 404 PHE A CB 193 C CG . PHE A 26 ? 0.4388 0.4441 0.4327 0.0416 0.0076 -0.0034 404 PHE A CG 194 C CD1 . PHE A 26 ? 0.4975 0.3636 0.4425 0.0312 0.0168 0.0372 404 PHE A CD1 195 C CD2 . PHE A 26 ? 0.4055 0.4200 0.4389 0.0020 -0.0289 -0.0089 404 PHE A CD2 196 C CE1 . PHE A 26 ? 0.4629 0.4127 0.5178 0.0526 -0.0135 -0.0191 404 PHE A CE1 197 C CE2 . PHE A 26 ? 0.4298 0.3356 0.4292 0.0107 -0.0264 -0.0215 404 PHE A CE2 198 C CZ . PHE A 26 ? 0.4709 0.4797 0.4654 0.0519 -0.0048 0.0286 404 PHE A CZ 199 N N . THR A 27 ? 0.4682 0.3774 0.4067 0.0142 -0.0285 0.0325 405 THR A N 200 C CA . THR A 27 ? 0.4388 0.4680 0.4587 0.0142 0.0055 0.0109 405 THR A CA 201 C C . THR A 27 ? 0.3825 0.4749 0.5339 0.0485 -0.0769 0.0013 405 THR A C 202 O O . THR A 27 ? 0.4645 0.5765 0.5606 0.0277 -0.0826 -0.0025 405 THR A O 203 C CB . THR A 27 ? 0.4604 0.5417 0.4594 -0.0084 -0.0539 0.0367 405 THR A CB 204 O OG1 . THR A 27 ? 0.3814 0.6408 0.4649 0.0411 -0.1438 0.1376 405 THR A OG1 205 C CG2 . THR A 27 ? 0.3718 0.5021 0.3855 0.0669 0.0090 -0.0026 405 THR A CG2 206 N N A ASN A 28 ? 0.3709 0.5049 0.5340 0.0512 -0.0928 -0.0079 406 ASN A N 207 N N B ASN A 28 ? 0.3898 0.4707 0.5001 0.0346 -0.0565 0.0160 406 ASN A N 208 C CA A ASN A 28 ? 0.4579 0.4980 0.5579 0.0533 0.0050 0.0193 406 ASN A CA 209 C CA B ASN A 28 ? 0.4060 0.4577 0.4770 0.0229 -0.0122 0.0187 406 ASN A CA 210 C C A ASN A 28 ? 0.4664 0.4934 0.4866 0.0571 -0.0475 0.0902 406 ASN A C 211 C C B ASN A 28 ? 0.4490 0.4565 0.4548 0.0382 -0.0105 0.0616 406 ASN A C 212 O O A ASN A 28 ? 0.4961 0.5268 0.4843 0.0877 -0.0264 0.1257 406 ASN A O 213 O O B ASN A 28 ? 0.4403 0.5152 0.4538 0.0426 -0.0054 0.0648 406 ASN A O 214 C CB A ASN A 28 ? 0.5171 0.5185 0.5124 0.0833 -0.0738 0.0566 406 ASN A CB 215 C CB B ASN A 28 ? 0.4155 0.4225 0.4251 0.0345 -0.0230 0.0495 406 ASN A CB 216 C CG A ASN A 28 ? 0.6213 0.5115 0.5565 0.1220 -0.0519 0.0219 406 ASN A CG 217 C CG B ASN A 28 ? 0.4097 0.4163 0.4181 0.0191 -0.0300 0.0282 406 ASN A CG 218 O OD1 A ASN A 28 ? 0.6316 0.5569 0.6119 0.1284 -0.0607 -0.0321 406 ASN A OD1 219 O OD1 B ASN A 28 ? 0.4322 0.4793 0.3842 -0.0140 -0.0237 0.0333 406 ASN A OD1 220 N ND2 A ASN A 28 ? 0.7225 0.6261 0.5679 0.1934 -0.0685 0.0534 406 ASN A ND2 221 N ND2 B ASN A 28 ? 0.3974 0.4191 0.3964 0.0334 -0.0729 0.0458 406 ASN A ND2 222 N N . CYS A 29 ? 0.4190 0.4220 0.5126 0.0549 0.0208 0.0757 407 CYS A N 223 C CA . CYS A 29 ? 0.4316 0.3803 0.4518 0.0438 -0.0128 0.0646 407 CYS A CA 224 C C . CYS A 29 ? 0.4192 0.3952 0.4408 0.0247 -0.0080 0.0607 407 CYS A C 225 O O . CYS A 29 ? 0.4862 0.4579 0.4507 0.0965 0.0514 0.0756 407 CYS A O 226 C CB . CYS A 29 ? 0.4920 0.3955 0.3963 0.0575 -0.0369 0.0330 407 CYS A CB 227 S SG . CYS A 29 ? 0.4907 0.4426 0.5362 0.1068 -0.0284 0.0653 407 CYS A SG 228 N N . ASN A 30 ? 0.4294 0.3762 0.3904 0.0323 -0.0380 0.1322 408 ASN A N 229 C CA . ASN A 30 ? 0.4125 0.4572 0.4711 0.0264 -0.0170 0.0741 408 ASN A CA 230 C C . ASN A 30 ? 0.4590 0.3774 0.4413 0.0634 -0.0494 0.0877 408 ASN A C 231 O O . ASN A 30 ? 0.5241 0.4621 0.4586 0.0455 -0.0164 0.0586 408 ASN A O 232 C CB . ASN A 30 ? 0.5643 0.3815 0.6968 0.1046 -0.1099 0.0246 408 ASN A CB 233 C CG . ASN A 30 ? 0.6220 0.6717 0.7239 0.1279 -0.0132 0.0067 408 ASN A CG 234 O OD1 . ASN A 30 ? 0.9166 0.7159 0.7138 0.1231 -0.1196 0.1745 408 ASN A OD1 235 N ND2 . ASN A 30 ? 0.7385 0.9134 0.6425 0.2383 0.0070 0.1112 408 ASN A ND2 236 N N . TYR A 31 ? 0.4021 0.4258 0.4142 0.0321 -0.0173 0.0797 409 TYR A N 237 C CA . TYR A 31 ? 0.3653 0.3559 0.3893 0.0109 -0.0299 0.0519 409 TYR A CA 238 C C . TYR A 31 ? 0.3793 0.3087 0.3846 0.0178 0.0335 0.0383 409 TYR A C 239 O O . TYR A 31 ? 0.4226 0.3189 0.3844 0.0234 0.0839 0.0236 409 TYR A O 240 C CB . TYR A 31 ? 0.3853 0.3768 0.3814 -0.0066 -0.0014 0.0364 409 TYR A CB 241 C CG . TYR A 31 ? 0.3490 0.3258 0.3728 0.0056 -0.0215 0.0521 409 TYR A CG 242 C CD1 . TYR A 31 ? 0.3386 0.3095 0.3299 0.0231 -0.0300 0.0785 409 TYR A CD1 243 C CD2 . TYR A 31 ? 0.4023 0.3544 0.4035 0.0420 -0.0737 0.0645 409 TYR A CD2 244 C CE1 . TYR A 31 ? 0.3754 0.2624 0.3444 0.0184 -0.0318 0.0440 409 TYR A CE1 245 C CE2 . TYR A 31 ? 0.3477 0.3553 0.3937 0.0468 0.0153 0.0410 409 TYR A CE2 246 C CZ . TYR A 31 ? 0.3492 0.3204 0.3581 0.0350 0.0009 0.0522 409 TYR A CZ 247 O OH . TYR A 31 ? 0.3678 0.3178 0.3637 0.0536 -0.0252 0.0320 409 TYR A OH 248 N N . ASN A 32 ? 0.3658 0.2906 0.3720 0.0140 0.0381 0.0942 410 ASN A N 249 C CA . ASN A 32 ? 0.3778 0.3696 0.4367 0.0191 0.0128 0.0626 410 ASN A CA 250 C C . ASN A 32 ? 0.4133 0.3903 0.4041 0.0444 0.0455 0.0872 410 ASN A C 251 O O . ASN A 32 ? 0.4764 0.3623 0.3763 0.1454 0.0136 0.1277 410 ASN A O 252 C CB . ASN A 32 ? 0.3854 0.3975 0.4436 0.0001 -0.0070 0.0738 410 ASN A CB 253 C CG . ASN A 32 ? 0.3703 0.4472 0.4444 -0.0081 0.0199 0.0623 410 ASN A CG 254 O OD1 . ASN A 32 ? 0.4395 0.4466 0.4430 -0.0080 0.0298 0.1420 410 ASN A OD1 255 N ND2 . ASN A 32 ? 0.4769 0.4437 0.5089 -0.0060 0.1252 0.0906 410 ASN A ND2 256 N N . LEU A 33 ? 0.3537 0.4010 0.3644 0.0126 -0.0057 0.0319 411 LEU A N 257 C CA . LEU A 33 ? 0.3511 0.4049 0.3756 -0.0037 0.0004 0.0848 411 LEU A CA 258 C C . LEU A 33 ? 0.3661 0.3957 0.3832 -0.0085 0.0219 0.0107 411 LEU A C 259 O O . LEU A 33 ? 0.4082 0.3494 0.3650 -0.0010 0.0294 0.0497 411 LEU A O 260 C CB . LEU A 33 ? 0.4008 0.3704 0.3540 -0.0172 0.0392 0.0270 411 LEU A CB 261 C CG . LEU A 33 ? 0.4808 0.4237 0.3672 0.0514 0.0232 -0.0104 411 LEU A CG 262 C CD1 . LEU A 33 ? 0.4089 0.4075 0.3642 -0.0187 0.0463 0.0034 411 LEU A CD1 263 C CD2 . LEU A 33 ? 0.5225 0.4202 0.3974 0.0952 0.0755 0.0175 411 LEU A CD2 264 N N . THR A 34 ? 0.3625 0.3243 0.3207 -0.0123 0.0364 0.0959 412 THR A N 265 C CA . THR A 34 ? 0.3719 0.3790 0.3782 -0.0396 0.0117 0.0203 412 THR A CA 266 C C . THR A 34 ? 0.3691 0.3678 0.3786 -0.0134 0.0213 0.0359 412 THR A C 267 O O . THR A 34 ? 0.3392 0.4197 0.4229 -0.0105 -0.0174 0.0099 412 THR A O 268 C CB . THR A 34 ? 0.4463 0.4147 0.4463 0.0134 0.0046 -0.0585 412 THR A CB 269 O OG1 . THR A 34 ? 0.5749 0.4682 0.4810 -0.0111 0.0400 0.0036 412 THR A OG1 270 C CG2 . THR A 34 ? 0.5001 0.3558 0.4977 -0.0277 -0.0101 0.0271 412 THR A CG2 271 N N . LYS A 35 ? 0.3449 0.3872 0.3927 -0.0399 -0.0164 0.0268 413 LYS A N 272 C CA . LYS A 35 ? 0.4069 0.4063 0.4073 0.0461 0.0151 0.0224 413 LYS A CA 273 C C . LYS A 35 ? 0.3689 0.3550 0.3807 0.0134 -0.0035 0.0889 413 LYS A C 274 O O . LYS A 35 ? 0.4354 0.3357 0.3792 0.0557 0.0209 0.1097 413 LYS A O 275 C CB . LYS A 35 ? 0.4967 0.3744 0.4701 0.0950 -0.0467 0.0053 413 LYS A CB 276 C CG . LYS A 35 ? 0.6295 0.5866 0.5234 0.0720 0.0272 0.0523 413 LYS A CG 277 C CD . LYS A 35 ? 0.6111 0.6399 0.7003 0.1331 0.0538 0.0731 413 LYS A CD 278 C CE . LYS A 35 ? 0.7147 0.7017 0.7568 0.0636 0.0949 0.0133 413 LYS A CE 279 N NZ . LYS A 35 ? 0.9312 0.8853 0.7715 0.1838 0.1462 -0.0720 413 LYS A NZ 280 N N . LEU A 36 ? 0.3178 0.3425 0.3662 0.0266 -0.0444 0.0937 414 LEU A N 281 C CA . LEU A 36 ? 0.3342 0.3705 0.4040 -0.0065 0.0034 0.0322 414 LEU A CA 282 C C . LEU A 36 ? 0.3635 0.3566 0.3296 -0.0085 0.0001 0.0651 414 LEU A C 283 O O . LEU A 36 ? 0.4128 0.3366 0.3495 0.0375 -0.0010 0.0669 414 LEU A O 284 C CB . LEU A 36 ? 0.3688 0.4154 0.3268 -0.0579 -0.0110 0.0089 414 LEU A CB 285 C CG . LEU A 36 ? 0.4457 0.4276 0.4230 -0.1069 0.0183 0.0163 414 LEU A CG 286 C CD1 . LEU A 36 ? 0.3874 0.3783 0.4544 -0.0483 -0.0144 -0.0320 414 LEU A CD1 287 C CD2 . LEU A 36 ? 0.4542 0.4506 0.4286 -0.0922 0.0269 0.0355 414 LEU A CD2 288 N N . LEU A 37 ? 0.3250 0.3250 0.3357 -0.0584 -0.0016 0.0433 415 LEU A N 289 C CA . LEU A 37 ? 0.3370 0.3968 0.3538 -0.0245 0.0043 0.0906 415 LEU A CA 290 C C . LEU A 37 ? 0.3262 0.3777 0.3690 -0.0134 0.0025 0.0588 415 LEU A C 291 O O . LEU A 37 ? 0.3356 0.3861 0.4143 -0.0111 -0.0568 0.0872 415 LEU A O 292 C CB . LEU A 37 ? 0.3579 0.3869 0.3544 0.0044 -0.0042 0.0705 415 LEU A CB 293 C CG . LEU A 37 ? 0.4824 0.3428 0.3674 -0.0383 0.0400 0.0603 415 LEU A CG 294 C CD1 . LEU A 37 ? 0.4887 0.2993 0.3482 -0.0743 0.0336 0.0910 415 LEU A CD1 295 C CD2 . LEU A 37 ? 0.4755 0.3435 0.4028 -0.1177 0.0311 0.0457 415 LEU A CD2 296 N N . SER A 38 ? 0.3499 0.3173 0.3935 -0.0434 0.0072 0.0075 416 SER A N 297 C CA . SER A 38 ? 0.3232 0.3680 0.3906 0.0157 0.0291 0.0619 416 SER A CA 298 C C . SER A 38 ? 0.3639 0.3603 0.3770 -0.0233 0.0031 0.0340 416 SER A C 299 O O . SER A 38 ? 0.4131 0.3614 0.4189 -0.0474 0.0576 0.0277 416 SER A O 300 C CB . SER A 38 ? 0.3469 0.3554 0.4991 -0.0034 0.0365 0.0647 416 SER A CB 301 O OG . SER A 38 ? 0.5582 0.3814 0.4739 0.0033 0.0430 0.1528 416 SER A OG 302 N N . LEU A 39 ? 0.3675 0.3301 0.3231 0.0078 -0.0236 0.0534 417 LEU A N 303 C CA . LEU A 39 ? 0.4032 0.3672 0.3691 0.0189 -0.0217 0.0078 417 LEU A CA 304 C C . LEU A 39 ? 0.3956 0.3957 0.3489 0.0308 0.0252 0.0257 417 LEU A C 305 O O . LEU A 39 ? 0.4834 0.3043 0.3324 0.0388 0.0064 -0.0045 417 LEU A O 306 C CB . LEU A 39 ? 0.4084 0.4041 0.3635 -0.0037 -0.0281 0.0600 417 LEU A CB 307 C CG . LEU A 39 ? 0.3984 0.4493 0.4584 -0.0053 -0.0617 0.0883 417 LEU A CG 308 C CD1 . LEU A 39 ? 0.4119 0.3804 0.4544 -0.0031 -0.0454 0.0392 417 LEU A CD1 309 C CD2 . LEU A 39 ? 0.4959 0.3761 0.5064 0.0519 -0.0136 0.1347 417 LEU A CD2 310 N N . PHE A 40 ? 0.2774 0.3294 0.3411 -0.0461 -0.0051 0.0249 418 PHE A N 311 C CA . PHE A 40 ? 0.3086 0.3021 0.3786 -0.0224 0.0134 0.0083 418 PHE A CA 312 C C . PHE A 40 ? 0.3124 0.3442 0.4625 -0.0290 -0.0123 0.0092 418 PHE A C 313 O O . PHE A 40 ? 0.3377 0.3470 0.5360 -0.1533 -0.0020 -0.0015 418 PHE A O 314 C CB . PHE A 40 ? 0.2860 0.3228 0.3727 -0.0144 0.0136 0.0098 418 PHE A CB 315 C CG . PHE A 40 ? 0.3038 0.3333 0.3642 -0.0236 0.0034 0.0124 418 PHE A CG 316 C CD1 . PHE A 40 ? 0.3066 0.3508 0.3271 -0.0160 0.0121 0.0082 418 PHE A CD1 317 C CD2 . PHE A 40 ? 0.3281 0.3526 0.3500 0.0100 -0.0056 0.0248 418 PHE A CD2 318 C CE1 . PHE A 40 ? 0.3160 0.3533 0.2968 -0.0155 -0.0114 0.0469 418 PHE A CE1 319 C CE2 . PHE A 40 ? 0.3510 0.3287 0.3536 0.0279 -0.0324 -0.0004 418 PHE A CE2 320 C CZ . PHE A 40 ? 0.3804 0.3649 0.2877 0.0533 -0.0003 -0.0033 418 PHE A CZ 321 N N . SER A 41 ? 0.2991 0.3227 0.4049 -0.0285 0.0262 0.0106 419 SER A N 322 C CA . SER A 41 ? 0.3650 0.3427 0.4047 0.0008 -0.0099 0.0490 419 SER A CA 323 C C . SER A 41 ? 0.3419 0.3507 0.3715 0.0099 0.0041 -0.0089 419 SER A C 324 O O . SER A 41 ? 0.4012 0.3412 0.3513 -0.0121 -0.0114 0.0589 419 SER A O 325 C CB . SER A 41 ? 0.3820 0.3684 0.4407 0.0225 -0.0232 -0.0834 419 SER A CB 326 O OG . SER A 41 ? 0.3767 0.4871 0.5622 -0.0681 -0.0634 -0.0878 419 SER A OG 327 N N . VAL A 42 ? 0.2742 0.3577 0.3376 -0.0005 -0.0061 -0.0114 420 VAL A N 328 C CA . VAL A 42 ? 0.3622 0.3182 0.3091 -0.0130 -0.0227 0.0065 420 VAL A CA 329 C C . VAL A 42 ? 0.3044 0.3322 0.3896 -0.0522 -0.0463 0.0004 420 VAL A C 330 O O . VAL A 42 ? 0.3432 0.3867 0.3887 -0.0886 -0.0874 -0.0004 420 VAL A O 331 C CB . VAL A 42 ? 0.3278 0.3959 0.3240 -0.0046 0.0027 0.0435 420 VAL A CB 332 C CG1 . VAL A 42 ? 0.3626 0.2629 0.3244 -0.0429 0.0082 0.0181 420 VAL A CG1 333 C CG2 . VAL A 42 ? 0.2881 0.3500 0.3575 -0.0535 -0.0047 0.0781 420 VAL A CG2 334 N N . ASN A 43 ? 0.2646 0.3084 0.3324 -0.0037 -0.0088 -0.0035 421 ASN A N 335 C CA . ASN A 43 ? 0.2873 0.3130 0.3242 0.0099 -0.0074 -0.0174 421 ASN A CA 336 C C . ASN A 43 ? 0.2814 0.2514 0.3336 -0.0127 -0.0066 -0.0261 421 ASN A C 337 O O . ASN A 43 ? 0.3092 0.3139 0.3621 -0.0450 -0.0218 -0.0261 421 ASN A O 338 C CB . ASN A 43 ? 0.2552 0.3200 0.3508 -0.0012 -0.0130 -0.0528 421 ASN A CB 339 C CG . ASN A 43 ? 0.3211 0.3793 0.3821 -0.0294 0.0288 0.0081 421 ASN A CG 340 O OD1 . ASN A 43 ? 0.3812 0.4389 0.3695 0.0259 -0.0490 0.0582 421 ASN A OD1 341 N ND2 . ASN A 43 ? 0.3544 0.3483 0.3712 -0.0602 0.0190 -0.0068 421 ASN A ND2 342 N N . ASP A 44 ? 0.2666 0.1713 0.2911 0.0090 -0.0015 -0.0114 422 ASP A N 343 C CA . ASP A 44 ? 0.2536 0.2714 0.2908 0.0013 -0.0083 0.0038 422 ASP A CA 344 C C . ASP A 44 ? 0.2929 0.2669 0.2956 0.0526 -0.0140 -0.0015 422 ASP A C 345 O O . ASP A 44 ? 0.2543 0.3083 0.2903 0.0117 -0.0112 0.0142 422 ASP A O 346 C CB . ASP A 44 ? 0.2089 0.2637 0.3055 -0.0008 -0.0024 -0.0103 422 ASP A CB 347 C CG . ASP A 44 ? 0.2970 0.3087 0.3190 0.0010 -0.0050 -0.0184 422 ASP A CG 348 O OD1 . ASP A 44 ? 0.1969 0.3172 0.3752 0.0145 -0.0235 -0.0144 422 ASP A OD1 349 O OD2 . ASP A 44 ? 0.2946 0.4112 0.4049 -0.0198 0.0292 -0.0141 422 ASP A OD2 350 N N . PHE A 45 ? 0.3200 0.3080 0.3014 0.0383 0.0192 -0.0093 423 PHE A N 351 C CA . PHE A 45 ? 0.3046 0.2968 0.2974 0.0436 -0.0159 0.0020 423 PHE A CA 352 C C . PHE A 45 ? 0.3205 0.2767 0.3206 0.0242 -0.0093 -0.0005 423 PHE A C 353 O O . PHE A 45 ? 0.2848 0.3142 0.4130 -0.0041 -0.0241 -0.0513 423 PHE A O 354 C CB . PHE A 45 ? 0.2662 0.2775 0.2944 0.0053 -0.0190 -0.0098 423 PHE A CB 355 C CG . PHE A 45 ? 0.2820 0.2990 0.2976 0.0205 -0.0084 0.0083 423 PHE A CG 356 C CD1 . PHE A 45 ? 0.2617 0.2435 0.2877 -0.0159 -0.0356 -0.0333 423 PHE A CD1 357 C CD2 . PHE A 45 ? 0.3083 0.3438 0.2539 0.0103 -0.0039 0.0169 423 PHE A CD2 358 C CE1 . PHE A 45 ? 0.3067 0.2685 0.3649 0.0064 -0.0289 -0.0156 423 PHE A CE1 359 C CE2 . PHE A 45 ? 0.3250 0.3421 0.3159 0.0431 0.0631 -0.0172 423 PHE A CE2 360 C CZ . PHE A 45 ? 0.2682 0.3033 0.3766 0.0624 0.0178 -0.0038 423 PHE A CZ 361 N N . THR A 46 ? 0.2810 0.2827 0.3184 0.0151 -0.0513 0.0167 424 THR A N 362 C CA . THR A 46 ? 0.3053 0.3807 0.3524 0.0172 0.0034 0.0252 424 THR A CA 363 C C . THR A 46 ? 0.2955 0.3385 0.3169 0.0390 -0.0450 0.0006 424 THR A C 364 O O . THR A 46 ? 0.2935 0.3519 0.2851 -0.0290 0.0092 0.0075 424 THR A O 365 C CB . THR A 46 ? 0.3327 0.3821 0.5155 0.0787 -0.0263 0.0189 424 THR A CB 366 O OG1 . THR A 46 ? 0.5116 0.4113 0.6155 0.0474 -0.0714 0.0660 424 THR A OG1 367 C CG2 . THR A 46 ? 0.3570 0.4729 0.3838 -0.0039 -0.0541 0.0879 424 THR A CG2 368 N N . CYS A 47 ? 0.2908 0.2364 0.3662 0.0572 -0.0059 -0.0132 425 CYS A N 369 C CA . CYS A 47 ? 0.3082 0.3246 0.3577 -0.0027 0.0260 0.0184 425 CYS A CA 370 C C . CYS A 47 ? 0.3310 0.3846 0.3227 0.0398 0.0153 0.0134 425 CYS A C 371 O O . CYS A 47 ? 0.3979 0.4379 0.2992 0.0571 0.0115 -0.0846 425 CYS A O 372 C CB . CYS A 47 ? 0.3293 0.3310 0.3229 0.0468 -0.0428 -0.0427 425 CYS A CB 373 S SG . CYS A 47 ? 0.3891 0.3751 0.4358 -0.0506 0.0087 0.0111 425 CYS A SG 374 N N . SER A 48 ? 0.3699 0.2674 0.3066 -0.0319 -0.0078 0.0356 426 SER A N 375 C CA . SER A 48 ? 0.3530 0.3592 0.3536 -0.0081 0.0260 0.0449 426 SER A CA 376 C C . SER A 48 ? 0.3411 0.3539 0.3004 -0.0242 0.0246 -0.0061 426 SER A C 377 O O . SER A 48 ? 0.3396 0.2928 0.3126 0.0103 0.0162 -0.0441 426 SER A O 378 C CB . SER A 48 ? 0.4533 0.3702 0.4461 -0.0577 -0.0240 0.0929 426 SER A CB 379 O OG . SER A 48 ? 0.5927 0.4063 0.5303 0.0182 0.0386 0.0862 426 SER A OG 380 N N . GLN A 49 ? 0.2948 0.2618 0.2951 -0.0710 0.0097 0.0038 427 GLN A N 381 C CA . GLN A 49 ? 0.3061 0.2917 0.2897 -0.0489 0.0273 0.0127 427 GLN A CA 382 C C . GLN A 49 ? 0.2830 0.2853 0.3191 -0.0226 0.0124 -0.0108 427 GLN A C 383 O O . GLN A 49 ? 0.2557 0.3381 0.3382 -0.0294 0.0334 -0.0496 427 GLN A O 384 C CB . GLN A 49 ? 0.2813 0.3399 0.3575 -0.0382 0.0484 -0.0015 427 GLN A CB 385 C CG . GLN A 49 ? 0.4371 0.3619 0.4088 -0.0943 0.0925 0.0428 427 GLN A CG 386 C CD . GLN A 49 ? 0.4259 0.4579 0.5886 -0.0510 0.0971 0.0194 427 GLN A CD 387 O OE1 . GLN A 49 ? 0.4711 0.4353 0.5098 -0.0656 0.0990 -0.0204 427 GLN A OE1 388 N NE2 . GLN A 49 ? 0.4414 0.4595 0.5844 -0.1033 0.0602 0.0342 427 GLN A NE2 389 N N . ILE A 50 ? 0.2576 0.3105 0.2826 -0.0294 -0.0120 0.0057 428 ILE A N 390 C CA . ILE A 50 ? 0.2818 0.3007 0.2956 -0.0391 0.0342 -0.0166 428 ILE A CA 391 C C . ILE A 50 ? 0.2698 0.2976 0.3245 -0.0177 0.0127 -0.0036 428 ILE A C 392 O O . ILE A 50 ? 0.2685 0.2891 0.3237 -0.0225 0.0054 0.0029 428 ILE A O 393 C CB . ILE A 50 ? 0.1928 0.2827 0.3376 -0.0327 0.0189 -0.0184 428 ILE A CB 394 C CG1 . ILE A 50 ? 0.2947 0.2887 0.3628 0.0039 -0.0005 -0.0202 428 ILE A CG1 395 C CG2 . ILE A 50 ? 0.2598 0.2404 0.3642 -0.0126 0.0209 -0.0101 428 ILE A CG2 396 C CD1 . ILE A 50 ? 0.3223 0.3447 0.3076 0.0350 0.0085 -0.0590 428 ILE A CD1 397 N N . SER A 51 ? 0.3096 0.2958 0.3205 -0.0488 0.0270 -0.0255 429 SER A N 398 C CA . SER A 51 ? 0.2989 0.3259 0.3228 -0.0563 -0.0020 -0.0021 429 SER A CA 399 C C . SER A 51 ? 0.2947 0.2897 0.3208 -0.0145 0.0021 -0.0283 429 SER A C 400 O O . SER A 51 ? 0.3247 0.2528 0.2694 -0.0672 -0.0205 0.0098 429 SER A O 401 C CB . SER A 51 ? 0.3632 0.3088 0.3230 -0.0214 0.0329 -0.0289 429 SER A CB 402 O OG . SER A 51 ? 0.3406 0.3044 0.3594 -0.0376 0.0586 -0.0097 429 SER A OG 403 N N . PRO A 52 ? 0.3267 0.3052 0.3785 -0.0479 0.0605 0.0142 430 PRO A N 404 C CA . PRO A 52 ? 0.3707 0.3445 0.3436 0.0160 0.0116 0.0198 430 PRO A CA 405 C C . PRO A 52 ? 0.3860 0.3443 0.3299 0.0315 0.0160 0.0124 430 PRO A C 406 O O . PRO A 52 ? 0.3369 0.3147 0.3705 0.0305 -0.0254 0.0175 430 PRO A O 407 C CB . PRO A 52 ? 0.3594 0.3598 0.3558 0.0018 0.0628 0.0298 430 PRO A CB 408 C CG . PRO A 52 ? 0.3564 0.3776 0.3406 0.0066 0.0352 0.0314 430 PRO A CG 409 C CD . PRO A 52 ? 0.3437 0.2767 0.3421 -0.0388 0.0305 -0.0033 430 PRO A CD 410 N N . ALA A 53 ? 0.3965 0.3276 0.3674 -0.0351 0.0724 0.0050 431 ALA A N 411 C CA . ALA A 53 ? 0.3823 0.3667 0.3994 0.0037 0.0231 -0.0404 431 ALA A CA 412 C C . ALA A 53 ? 0.3714 0.3098 0.3381 -0.0139 0.0100 -0.0235 431 ALA A C 413 O O . ALA A 53 ? 0.3781 0.3046 0.4060 -0.0066 -0.0077 0.0059 431 ALA A O 414 C CB . ALA A 53 ? 0.3817 0.3633 0.5003 -0.1198 0.0319 -0.0091 431 ALA A CB 415 N N . ALA A 54 ? 0.3347 0.2701 0.3611 -0.0011 0.0278 -0.0442 432 ALA A N 416 C CA . ALA A 54 ? 0.3321 0.2747 0.2917 0.0106 0.0624 -0.0553 432 ALA A CA 417 C C . ALA A 54 ? 0.3337 0.2985 0.3080 -0.0095 0.0410 -0.0299 432 ALA A C 418 O O . ALA A 54 ? 0.3837 0.2328 0.3881 -0.0077 -0.0048 -0.0399 432 ALA A O 419 C CB . ALA A 54 ? 0.3992 0.2629 0.2826 -0.0672 0.0502 -0.0875 432 ALA A CB 420 N N . ILE A 55 ? 0.3973 0.2853 0.2929 -0.0032 0.0592 -0.0029 433 ILE A N 421 C CA . ILE A 55 ? 0.3542 0.3112 0.3069 -0.0097 0.0396 -0.0191 433 ILE A CA 422 C C . ILE A 55 ? 0.3079 0.2707 0.3200 -0.0047 -0.0144 -0.0121 433 ILE A C 423 O O . ILE A 55 ? 0.2527 0.2481 0.3075 -0.0044 0.0078 0.0077 433 ILE A O 424 C CB . ILE A 55 ? 0.3424 0.3042 0.3690 -0.0200 0.0095 0.0050 433 ILE A CB 425 C CG1 . ILE A 55 ? 0.4255 0.3527 0.4110 -0.0261 -0.0501 -0.0371 433 ILE A CG1 426 C CG2 . ILE A 55 ? 0.3130 0.2830 0.3478 0.0497 -0.0188 -0.0224 433 ILE A CG2 427 C CD1 . ILE A 55 ? 0.4665 0.4342 0.4157 -0.0899 -0.0667 0.0568 433 ILE A CD1 428 N N . ALA A 56 ? 0.3144 0.2857 0.3482 -0.0068 0.0728 -0.0262 434 ALA A N 429 C CA . ALA A 56 ? 0.3634 0.3633 0.3448 -0.0009 0.0415 0.0083 434 ALA A CA 430 C C . ALA A 56 ? 0.3746 0.3628 0.3750 -0.0035 0.0137 0.0202 434 ALA A C 431 O O . ALA A 56 ? 0.5207 0.3161 0.4404 -0.0411 0.0371 0.0478 434 ALA A O 432 C CB . ALA A 56 ? 0.3352 0.3253 0.3960 0.0825 0.0691 -0.0543 434 ALA A CB 433 N N . SER A 57 ? 0.3897 0.3595 0.3841 -0.0075 0.0232 0.0302 435 SER A N 434 C CA . SER A 57 ? 0.4152 0.3678 0.3829 -0.0171 0.0648 -0.0486 435 SER A CA 435 C C . SER A 57 ? 0.3913 0.3580 0.4966 -0.0151 0.0379 -0.0441 435 SER A C 436 O O . SER A 57 ? 0.3167 0.3195 0.7024 -0.0165 0.0817 -0.0076 435 SER A O 437 C CB . SER A 57 ? 0.4738 0.3838 0.4421 -0.0434 0.0010 -0.0029 435 SER A CB 438 O OG . SER A 57 ? 0.6121 0.4185 0.5097 -0.0318 -0.0945 0.0208 435 SER A OG 439 N N . ASN A 58 ? 0.3715 0.3470 0.4257 -0.0146 -0.0018 0.0209 436 ASN A N 440 C CA . ASN A 58 ? 0.3720 0.3272 0.3642 -0.0081 -0.0095 0.0087 436 ASN A CA 441 C C . ASN A 58 ? 0.3033 0.2993 0.3516 -0.0165 0.0292 0.0349 436 ASN A C 442 O O . ASN A 58 ? 0.2921 0.2838 0.3928 -0.0048 0.0519 0.0057 436 ASN A O 443 C CB . ASN A 58 ? 0.3733 0.3007 0.4194 -0.0053 -0.0323 0.0196 436 ASN A CB 444 C CG . ASN A 58 ? 0.4877 0.3825 0.4023 -0.0499 -0.0324 0.0109 436 ASN A CG 445 O OD1 . ASN A 58 ? 0.4832 0.3938 0.3727 -0.0591 -0.0518 -0.0580 436 ASN A OD1 446 N ND2 . ASN A 58 ? 0.4222 0.4327 0.4135 -0.0876 0.0356 0.0174 436 ASN A ND2 447 N N . CYS A 59 ? 0.3118 0.2561 0.3610 0.0693 -0.0036 0.0400 437 CYS A N 448 C CA . CYS A 59 ? 0.3315 0.3171 0.3446 0.0116 0.0002 -0.0018 437 CYS A CA 449 C C . CYS A 59 ? 0.3368 0.3081 0.3300 0.0415 -0.0287 0.0300 437 CYS A C 450 O O . CYS A 59 ? 0.3922 0.2933 0.3265 0.0372 -0.0238 0.0209 437 CYS A O 451 C CB . CYS A 59 ? 0.3122 0.4316 0.3784 0.0669 -0.0072 0.0278 437 CYS A CB 452 S SG . CYS A 59 ? 0.5177 0.4324 0.5231 0.0639 0.0359 0.0456 437 CYS A SG 453 N N . TYR A 60 ? 0.3013 0.2779 0.3627 0.0444 -0.0193 0.0189 438 TYR A N 454 C CA . TYR A 60 ? 0.3023 0.3039 0.3648 0.0296 -0.0007 0.0227 438 TYR A CA 455 C C . TYR A 60 ? 0.3136 0.3285 0.3380 0.0372 -0.0012 -0.0108 438 TYR A C 456 O O . TYR A 60 ? 0.2712 0.3989 0.3832 0.0593 0.0026 0.0444 438 TYR A O 457 C CB . TYR A 60 ? 0.3053 0.2805 0.3518 0.0058 -0.0037 -0.0211 438 TYR A CB 458 C CG . TYR A 60 ? 0.3089 0.2863 0.3588 -0.0099 -0.0026 0.0106 438 TYR A CG 459 C CD1 . TYR A 60 ? 0.3153 0.2265 0.3291 0.0051 0.0352 -0.0108 438 TYR A CD1 460 C CD2 . TYR A 60 ? 0.3113 0.2113 0.3525 0.0233 0.0159 -0.0211 438 TYR A CD2 461 C CE1 . TYR A 60 ? 0.3188 0.2343 0.3479 0.0318 0.0011 -0.0299 438 TYR A CE1 462 C CE2 . TYR A 60 ? 0.3416 0.3376 0.3718 0.0077 -0.0416 0.0290 438 TYR A CE2 463 C CZ . TYR A 60 ? 0.3051 0.3287 0.3562 0.0127 -0.0088 -0.0145 438 TYR A CZ 464 O OH . TYR A 60 ? 0.3035 0.3395 0.3937 0.0727 -0.0850 -0.0164 438 TYR A OH 465 N N . SER A 61 ? 0.3151 0.3540 0.3719 0.0343 0.0367 -0.0415 439 SER A N 466 C CA . SER A 61 ? 0.3322 0.4117 0.3634 0.0406 -0.0007 -0.0147 439 SER A CA 467 C C . SER A 61 ? 0.3368 0.3818 0.4015 0.0268 -0.0260 -0.0313 439 SER A C 468 O O . SER A 61 ? 0.3161 0.4804 0.4187 0.0497 -0.0504 -0.0466 439 SER A O 469 C CB . SER A 61 ? 0.3293 0.4341 0.3852 0.0605 0.0445 -0.0168 439 SER A CB 470 O OG . SER A 61 ? 0.5231 0.5466 0.4455 0.0467 0.0780 0.0436 439 SER A OG 471 N N . SER A 62 ? 0.3260 0.2992 0.3876 -0.0125 -0.0161 -0.0055 440 SER A N 472 C CA . SER A 62 ? 0.2996 0.3374 0.3660 0.0099 -0.0454 -0.0016 440 SER A CA 473 C C . SER A 62 ? 0.2963 0.3565 0.3259 0.0041 -0.0184 0.0125 440 SER A C 474 O O . SER A 62 ? 0.2583 0.3312 0.3247 0.0269 -0.0311 0.0275 440 SER A O 475 C CB . SER A 62 ? 0.3434 0.3612 0.3852 -0.0134 -0.0893 -0.0122 440 SER A CB 476 O OG . SER A 62 ? 0.4100 0.4431 0.4650 0.0061 -0.0908 0.0237 440 SER A OG 477 N N . LEU A 63 ? 0.2938 0.3210 0.3307 -0.0229 -0.0162 -0.0100 441 LEU A N 478 C CA . LEU A 63 ? 0.3036 0.3344 0.3850 0.0107 0.0121 -0.0077 441 LEU A CA 479 C C . LEU A 63 ? 0.3278 0.3679 0.3450 0.0471 -0.0016 0.0102 441 LEU A C 480 O O . LEU A 63 ? 0.3905 0.3856 0.3486 0.0988 -0.0291 -0.0001 441 LEU A O 481 C CB . LEU A 63 ? 0.2944 0.3373 0.4068 0.0469 0.0128 0.0643 441 LEU A CB 482 C CG . LEU A 63 ? 0.2849 0.3159 0.3742 -0.0222 0.0159 -0.0131 441 LEU A CG 483 C CD1 . LEU A 63 ? 0.3321 0.3385 0.4757 -0.0398 -0.0133 -0.0589 441 LEU A CD1 484 C CD2 . LEU A 63 ? 0.2250 0.3306 0.4293 0.0459 0.0694 0.0272 441 LEU A CD2 485 N N . ILE A 64 ? 0.2433 0.3728 0.3507 0.0180 -0.0190 0.0104 442 ILE A N 486 C CA . ILE A 64 ? 0.3144 0.3367 0.3956 -0.0185 -0.0011 -0.0080 442 ILE A CA 487 C C . ILE A 64 ? 0.3317 0.2772 0.3213 -0.0101 0.0000 -0.0050 442 ILE A C 488 O O . ILE A 64 ? 0.3107 0.3448 0.3650 0.0171 -0.0230 -0.0006 442 ILE A O 489 C CB . ILE A 64 ? 0.4065 0.4017 0.4831 -0.0283 0.0878 0.0183 442 ILE A CB 490 C CG1 . ILE A 64 ? 0.4109 0.4751 0.5173 -0.0207 0.0640 -0.0326 442 ILE A CG1 491 C CG2 . ILE A 64 ? 0.4043 0.3942 0.5251 -0.0271 0.0366 -0.0229 442 ILE A CG2 492 C CD1 . ILE A 64 ? 0.5156 0.4575 0.4855 -0.0174 0.0826 -0.0544 442 ILE A CD1 493 N N . LEU A 65 ? 0.3208 0.3173 0.2983 -0.0259 -0.0104 -0.0002 443 LEU A N 494 C CA . LEU A 65 ? 0.3280 0.3271 0.3163 -0.0132 -0.0168 -0.0175 443 LEU A CA 495 C C . LEU A 65 ? 0.3379 0.3119 0.3050 0.0118 -0.0393 0.0060 443 LEU A C 496 O O . LEU A 65 ? 0.3234 0.3420 0.3208 -0.0099 -0.0603 -0.0166 443 LEU A O 497 C CB . LEU A 65 ? 0.3709 0.4042 0.3658 -0.0731 -0.0364 0.0443 443 LEU A CB 498 C CG . LEU A 65 ? 0.4181 0.5716 0.3976 0.0292 -0.0147 0.0796 443 LEU A CG 499 C CD1 . LEU A 65 ? 0.3973 0.5170 0.4305 0.0920 -0.0395 0.1333 443 LEU A CD1 500 C CD2 . LEU A 65 ? 0.4870 0.6006 0.5998 -0.0891 0.1170 0.1059 443 LEU A CD2 501 N N . ASP A 66 ? 0.1949 0.2773 0.2570 -0.0348 -0.0166 -0.0059 444 ASP A N 502 C CA . ASP A 66 ? 0.2361 0.2800 0.2937 -0.0079 0.0023 0.0056 444 ASP A CA 503 C C . ASP A 66 ? 0.2596 0.2982 0.2614 -0.0522 0.0165 -0.0046 444 ASP A C 504 O O . ASP A 66 ? 0.2964 0.2872 0.2947 -0.0374 0.0051 -0.0744 444 ASP A O 505 C CB . ASP A 66 ? 0.2473 0.2646 0.2604 -0.0545 -0.0281 -0.0072 444 ASP A CB 506 C CG . ASP A 66 ? 0.2609 0.3695 0.2998 0.0192 -0.0046 0.0193 444 ASP A CG 507 O OD1 . ASP A 66 ? 0.2557 0.3272 0.3044 -0.0009 -0.0116 0.0253 444 ASP A OD1 508 O OD2 . ASP A 66 ? 0.3207 0.3641 0.3270 0.0797 -0.0167 0.0841 444 ASP A OD2 509 N N . TYR A 67 ? 0.2480 0.2612 0.2206 -0.0059 -0.0064 0.0434 445 TYR A N 510 C CA . TYR A 67 ? 0.2606 0.2835 0.2917 0.0095 0.0277 0.0132 445 TYR A CA 511 C C . TYR A 67 ? 0.2658 0.2869 0.3069 -0.0071 -0.0041 -0.0114 445 TYR A C 512 O O . TYR A 67 ? 0.2513 0.3122 0.2764 -0.0290 0.0204 0.0110 445 TYR A O 513 C CB . TYR A 67 ? 0.2484 0.2710 0.3086 -0.0084 0.0118 0.0184 445 TYR A CB 514 C CG . TYR A 67 ? 0.3379 0.3351 0.3270 0.0087 -0.0088 0.0460 445 TYR A CG 515 C CD1 . TYR A 67 ? 0.3429 0.4237 0.4206 0.0325 -0.0168 0.0051 445 TYR A CD1 516 C CD2 . TYR A 67 ? 0.3377 0.2969 0.3554 0.0149 -0.0020 0.0418 445 TYR A CD2 517 C CE1 . TYR A 67 ? 0.4632 0.2754 0.3471 0.0185 0.0117 0.0724 445 TYR A CE1 518 C CE2 . TYR A 67 ? 0.4037 0.2732 0.4100 -0.0149 -0.0249 0.0135 445 TYR A CE2 519 C CZ . TYR A 67 ? 0.4189 0.3657 0.3962 0.0133 -0.0092 0.0251 445 TYR A CZ 520 O OH . TYR A 67 ? 0.5408 0.4156 0.4191 0.0273 -0.0649 0.0289 445 TYR A OH 521 N N . PHE A 68 ? 0.2661 0.2674 0.3072 -0.0067 -0.0129 0.0048 446 PHE A N 522 C CA . PHE A 68 ? 0.2369 0.2645 0.3019 -0.0058 -0.0114 0.0066 446 PHE A CA 523 C C . PHE A 68 ? 0.2499 0.2492 0.2545 -0.0093 0.0069 0.0072 446 PHE A C 524 O O . PHE A 68 ? 0.2594 0.2693 0.2728 -0.0149 0.0017 -0.0106 446 PHE A O 525 C CB . PHE A 68 ? 0.2495 0.2688 0.2578 0.0170 -0.0396 0.0014 446 PHE A CB 526 C CG . PHE A 68 ? 0.2879 0.2604 0.2676 0.0247 -0.0118 -0.0067 446 PHE A CG 527 C CD1 . PHE A 68 ? 0.2259 0.2781 0.2993 -0.0080 -0.0236 -0.0052 446 PHE A CD1 528 C CD2 . PHE A 68 ? 0.2512 0.2705 0.3059 0.0032 -0.0157 -0.0494 446 PHE A CD2 529 C CE1 . PHE A 68 ? 0.2877 0.3202 0.2961 0.0239 -0.0056 -0.0208 446 PHE A CE1 530 C CE2 . PHE A 68 ? 0.2637 0.2618 0.3098 -0.0018 0.0075 -0.0371 446 PHE A CE2 531 C CZ . PHE A 68 ? 0.2526 0.3454 0.3808 0.0112 -0.0048 -0.0593 446 PHE A CZ 532 N N . SER A 69 ? 0.2414 0.2017 0.2666 0.0051 -0.0213 -0.0007 447 SER A N 533 C CA . SER A 69 ? 0.2538 0.2714 0.2641 0.0054 0.0070 -0.0210 447 SER A CA 534 C C . SER A 69 ? 0.2468 0.2698 0.2725 -0.0148 -0.0056 -0.0151 447 SER A C 535 O O . SER A 69 ? 0.2271 0.2600 0.2854 -0.0273 -0.0155 -0.0109 447 SER A O 536 C CB . SER A 69 ? 0.1862 0.2885 0.2733 0.0577 0.0084 -0.0185 447 SER A CB 537 O OG . SER A 69 ? 0.3169 0.3125 0.2902 0.0013 0.0012 0.0248 447 SER A OG 538 N N . TYR A 70 ? 0.2387 0.2781 0.2728 0.0123 0.0082 -0.0704 448 TYR A N 539 C CA . TYR A 70 ? 0.2331 0.2659 0.2839 0.0020 -0.0002 -0.0185 448 TYR A CA 540 C C . TYR A 70 ? 0.2473 0.2474 0.3489 -0.0084 -0.0039 0.0152 448 TYR A C 541 O O . TYR A 70 ? 0.1814 0.2935 0.3197 -0.0746 -0.0030 -0.0001 448 TYR A O 542 C CB . TYR A 70 ? 0.2131 0.2469 0.2369 -0.0103 -0.0182 0.0067 448 TYR A CB 543 C CG . TYR A 70 ? 0.2295 0.2250 0.2328 0.0092 -0.0086 0.0017 448 TYR A CG 544 C CD1 . TYR A 70 ? 0.2090 0.2361 0.2384 -0.0083 -0.0047 -0.0065 448 TYR A CD1 545 C CD2 . TYR A 70 ? 0.2363 0.1872 0.2527 -0.0021 -0.0065 -0.0088 448 TYR A CD2 546 C CE1 . TYR A 70 ? 0.2611 0.2689 0.2262 -0.0298 0.0108 -0.0135 448 TYR A CE1 547 C CE2 . TYR A 70 ? 0.2501 0.2496 0.2563 -0.0152 0.0357 0.0258 448 TYR A CE2 548 C CZ . TYR A 70 ? 0.2509 0.2552 0.2372 -0.0233 -0.0089 0.0136 448 TYR A CZ 549 O OH . TYR A 70 ? 0.2312 0.2180 0.2527 0.0036 -0.0385 0.0099 448 TYR A OH 550 N N . PRO A 71 ? 0.2496 0.2770 0.3269 0.0198 -0.0182 0.0195 449 PRO A N 551 C CA . PRO A 71 ? 0.2719 0.2444 0.3202 -0.0146 -0.0346 0.0154 449 PRO A CA 552 C C . PRO A 71 ? 0.2496 0.2482 0.2958 0.0105 0.0127 0.0125 449 PRO A C 553 O O . PRO A 71 ? 0.2073 0.2524 0.2744 -0.0093 -0.0025 -0.0038 449 PRO A O 554 C CB . PRO A 71 ? 0.2330 0.2574 0.3904 0.0072 -0.0313 -0.0294 449 PRO A CB 555 C CG . PRO A 71 ? 0.2907 0.2715 0.3651 0.0131 -0.0169 0.0280 449 PRO A CG 556 C CD . PRO A 71 ? 0.2508 0.2844 0.3234 -0.0131 -0.0165 0.0002 449 PRO A CD 557 N N . LEU A 72 ? 0.2455 0.2606 0.3291 -0.0063 -0.0500 0.0242 450 LEU A N 558 C CA . LEU A 72 ? 0.3023 0.2563 0.3152 0.0155 0.0021 0.0144 450 LEU A CA 559 C C . LEU A 72 ? 0.2538 0.2701 0.2954 0.0079 0.0002 -0.0100 450 LEU A C 560 O O . LEU A 72 ? 0.2910 0.2311 0.2935 0.0183 -0.0328 -0.0273 450 LEU A O 561 C CB . LEU A 72 ? 0.2526 0.2840 0.4402 0.0048 0.0509 -0.0341 450 LEU A CB 562 C CG . LEU A 72 ? 0.3141 0.3799 0.4711 -0.0120 0.1014 -0.1029 450 LEU A CG 563 C CD1 . LEU A 72 ? 0.2777 0.3826 0.3856 -0.0635 0.1571 -0.1512 450 LEU A CD1 564 C CD2 . LEU A 72 ? 0.3300 0.4083 0.4907 0.0261 0.1691 -0.0497 450 LEU A CD2 565 N N . SER A 73 ? 0.2382 0.2393 0.3167 0.0007 0.0064 -0.0135 451 SER A N 566 C CA . SER A 73 ? 0.2801 0.2845 0.2652 0.0182 0.0104 -0.0105 451 SER A CA 567 C C . SER A 73 ? 0.2757 0.2677 0.2775 0.0280 -0.0006 -0.0069 451 SER A C 568 O O . SER A 73 ? 0.2650 0.2762 0.3079 0.0713 0.0050 0.0173 451 SER A O 569 C CB . SER A 73 ? 0.3293 0.3040 0.3360 0.0537 -0.0410 -0.0516 451 SER A CB 570 O OG . SER A 73 ? 0.3924 0.2978 0.3674 0.0056 -0.0375 -0.0613 451 SER A OG 571 N N . MET A 74 ? 0.2685 0.2608 0.2442 -0.0152 -0.0146 -0.0124 452 MET A N 572 C CA . MET A 74 ? 0.2631 0.2510 0.2639 -0.0141 -0.0198 -0.0066 452 MET A CA 573 C C . MET A 74 ? 0.2667 0.2737 0.2238 -0.0270 -0.0358 -0.0250 452 MET A C 574 O O . MET A 74 ? 0.2734 0.2663 0.3250 -0.0544 -0.0228 -0.0139 452 MET A O 575 C CB . MET A 74 ? 0.2960 0.2305 0.2226 0.0058 -0.0105 -0.0329 452 MET A CB 576 C CG . MET A 74 ? 0.2764 0.2900 0.3140 0.0254 0.0404 -0.0534 452 MET A CG 577 S SD . MET A 74 ? 0.3681 0.3148 0.3908 -0.0210 0.0024 -0.0347 452 MET A SD 578 C CE . MET A 74 ? 0.4295 0.2841 0.4276 -0.0170 0.0396 -0.0615 452 MET A CE 579 N N . LYS A 75 ? 0.2480 0.2735 0.3283 -0.0209 -0.0865 -0.0267 453 LYS A N 580 C CA . LYS A 75 ? 0.3023 0.2992 0.3154 -0.0365 -0.0157 -0.0241 453 LYS A CA 581 C C . LYS A 75 ? 0.3016 0.2983 0.3290 -0.0205 -0.0377 -0.0130 453 LYS A C 582 O O . LYS A 75 ? 0.2784 0.3286 0.3854 0.0011 -0.0937 0.0000 453 LYS A O 583 C CB . LYS A 75 ? 0.3141 0.3261 0.3455 -0.0422 -0.0371 -0.0506 453 LYS A CB 584 C CG . LYS A 75 ? 0.3446 0.3005 0.3751 -0.0129 0.0321 -0.0112 453 LYS A CG 585 C CD . LYS A 75 ? 0.3764 0.3545 0.4030 0.0303 -0.0113 -0.0534 453 LYS A CD 586 C CE . LYS A 75 ? 0.3965 0.4350 0.3648 0.0489 0.0470 -0.0179 453 LYS A CE 587 N NZ . LYS A 75 ? 0.2813 0.3353 0.3137 -0.0561 -0.0075 -0.1346 453 LYS A NZ 588 N N . SER A 76 ? 0.2864 0.2053 0.3086 -0.0572 -0.0600 -0.0511 454 SER A N 589 C CA . SER A 76 ? 0.2858 0.3306 0.3382 -0.0124 -0.0553 0.0038 454 SER A CA 590 C C . SER A 76 ? 0.2484 0.3369 0.3280 0.0098 -0.0331 0.0107 454 SER A C 591 O O . SER A 76 ? 0.2613 0.4162 0.3564 -0.0429 -0.0145 0.0755 454 SER A O 592 C CB . SER A 76 ? 0.2622 0.3797 0.3552 -0.0049 -0.0645 0.0041 454 SER A CB 593 O OG . SER A 76 ? 0.2318 0.4034 0.4359 0.0330 -0.0318 -0.0388 454 SER A OG 594 N N . ASP A 77 ? 0.2775 0.3103 0.3318 0.0383 -0.0964 0.0085 455 ASP A N 595 C CA . ASP A 77 ? 0.3153 0.3430 0.3415 -0.0058 -0.0418 0.0202 455 ASP A CA 596 C C . ASP A 77 ? 0.3455 0.3411 0.3085 0.0092 -0.0321 -0.0392 455 ASP A C 597 O O . ASP A 77 ? 0.3145 0.5104 0.4629 -0.0024 -0.0024 -0.0808 455 ASP A O 598 C CB . ASP A 77 ? 0.3302 0.4225 0.3584 0.0002 -0.0397 -0.0211 455 ASP A CB 599 C CG . ASP A 77 ? 0.5104 0.5139 0.5178 0.1187 -0.0141 0.1089 455 ASP A CG 600 O OD1 . ASP A 77 ? 0.5414 0.5033 0.6321 -0.0048 0.0737 0.1416 455 ASP A OD1 601 O OD2 . ASP A 77 ? 0.6654 0.5654 0.6603 0.2395 0.1413 0.1978 455 ASP A OD2 602 N N . LEU A 78 ? 0.3691 0.3416 0.2753 0.0268 -0.0249 -0.0424 456 LEU A N 603 C CA . LEU A 78 ? 0.3535 0.4665 0.4103 0.0328 -0.0321 0.0494 456 LEU A CA 604 C C . LEU A 78 ? 0.4643 0.6067 0.4530 0.0836 -0.0308 -0.0890 456 LEU A C 605 O O . LEU A 78 ? 0.5370 0.8969 0.6088 0.2350 -0.1128 0.0483 456 LEU A O 606 C CB . LEU A 78 ? 0.3077 0.4480 0.5027 -0.0030 -0.1118 0.1010 456 LEU A CB 607 C CG . LEU A 78 ? 0.4712 0.4253 0.4923 -0.0842 0.1022 -0.0465 456 LEU A CG 608 C CD1 . LEU A 78 ? 0.5246 0.3831 0.7007 0.0157 0.3073 -0.0403 456 LEU A CD1 609 C CD2 . LEU A 78 ? 0.4341 0.3104 0.4650 0.0015 0.0840 -0.0689 456 LEU A CD2 610 N N . SER A 79 ? 0.5475 0.5463 0.4548 -0.1658 -0.0403 0.0180 457 SER A N 611 C CA . SER A 79 ? 0.5210 0.6230 0.5293 -0.0478 -0.0050 0.0423 457 SER A CA 612 C C . SER A 79 ? 0.5362 0.6093 0.4836 -0.0189 0.0211 0.0506 457 SER A C 613 O O . SER A 79 ? 0.5457 0.4863 0.3924 -0.1824 -0.0512 0.1053 457 SER A O 614 C CB . SER A 79 ? 0.6941 0.6910 0.4324 -0.0767 0.0330 -0.1379 457 SER A CB 615 O OG . SER A 79 ? 0.8143 0.8183 0.7976 -0.0778 0.0875 0.0831 457 SER A OG 616 N N . VAL A 80 ? 0.6105 0.7764 0.6909 0.0384 0.0939 -0.0405 458 VAL A N 617 C CA . VAL A 80 ? 0.6821 0.8056 0.7754 0.0320 0.0734 0.0719 458 VAL A CA 618 C C . VAL A 80 ? 0.7376 0.6719 0.6475 -0.1773 0.0905 0.0634 458 VAL A C 619 O O . VAL A 80 ? 0.9323 0.7466 0.7526 -0.3877 0.1741 0.0431 458 VAL A O 620 C CB . VAL A 80 ? 0.6946 0.9699 0.8292 0.0381 0.0356 -0.1534 458 VAL A CB 621 C CG1 . VAL A 80 ? 0.7899 1.1065 0.8769 0.1362 -0.0210 -0.0029 458 VAL A CG1 622 C CG2 . VAL A 80 ? 0.7926 0.8121 1.0014 -0.0439 0.1826 -0.1344 458 VAL A CG2 623 N N . SER A 81 ? 0.5596 0.8498 0.6558 -0.1711 0.1205 -0.0265 459 SER A N 624 C CA . SER A 81 ? 0.8484 0.6759 0.8331 -0.0690 -0.0199 -0.0677 459 SER A CA 625 C C . SER A 81 ? 0.9214 0.4525 0.6770 -0.2089 0.0639 -0.0273 459 SER A C 626 O O . SER A 81 ? 0.7687 0.6379 0.6619 -0.2053 -0.0196 0.0793 459 SER A O 627 C CB . SER A 81 ? 1.1865 0.7680 0.8360 -0.1059 0.0649 -0.4012 459 SER A CB 628 O OG . SER A 81 ? 1.1139 0.7706 1.3562 -0.1682 -0.1907 -0.2453 459 SER A OG 629 N N . SER A 82 ? 0.8468 0.5731 0.7584 -0.2270 0.1083 -0.1174 460 SER A N 630 C CA . SER A 82 ? 0.8264 0.6716 0.8302 -0.0914 0.1033 -0.0408 460 SER A CA 631 C C . SER A 82 ? 0.8459 0.6045 0.6007 -0.0342 0.0711 0.0310 460 SER A C 632 O O . SER A 82 ? 0.8238 1.2153 0.5365 -0.1391 0.0117 -0.0536 460 SER A O 633 C CB . SER A 82 ? 0.7197 0.3378 1.0327 -0.2175 0.0784 0.0101 460 SER A CB 634 O OG . SER A 82 ? 0.6269 0.9107 1.0670 0.0945 -0.2698 0.0578 460 SER A OG 635 N N . ALA A 83 ? 1.0249 0.5291 0.4167 -0.0734 -0.0175 -0.0118 461 ALA A N 636 C CA . ALA A 83 ? 0.7546 0.6551 0.5455 -0.1204 0.0502 0.0396 461 ALA A CA 637 C C . ALA A 83 ? 0.6347 0.5501 0.4670 -0.1130 -0.0648 -0.0089 461 ALA A C 638 O O . ALA A 83 ? 0.6185 0.5418 0.6405 0.1166 -0.0868 0.0235 461 ALA A O 639 C CB . ALA A 83 ? 0.7104 0.6225 0.5852 -0.2429 0.2399 0.0475 461 ALA A CB 640 N N . GLY A 84 ? 0.4621 0.5608 0.3954 -0.0801 -0.0754 -0.0423 462 GLY A N 641 C CA . GLY A 84 ? 0.4410 0.6724 0.4117 -0.0612 -0.0260 -0.0634 462 GLY A CA 642 C C . GLY A 84 ? 0.3682 0.5038 0.4332 0.0257 0.0146 -0.1055 462 GLY A C 643 O O . GLY A 84 ? 0.3125 0.3455 0.3891 -0.0539 0.0088 -0.0077 462 GLY A O 644 N N . PRO A 85 ? 0.3802 0.4561 0.3153 0.0065 -0.0105 -0.0737 463 PRO A N 645 C CA . PRO A 85 ? 0.2786 0.3964 0.3118 0.0402 -0.0049 -0.0221 463 PRO A CA 646 C C . PRO A 85 ? 0.2848 0.2786 0.3256 -0.0244 0.0027 -0.0323 463 PRO A C 647 O O . PRO A 85 ? 0.2467 0.1951 0.3068 -0.0696 0.0419 0.0033 463 PRO A O 648 C CB . PRO A 85 ? 0.3519 0.3628 0.3059 0.0098 -0.0732 -0.1358 463 PRO A CB 649 C CG . PRO A 85 ? 0.3301 0.4478 0.3387 0.0118 0.0021 -0.0756 463 PRO A CG 650 C CD . PRO A 85 ? 0.3109 0.5293 0.3455 -0.0465 -0.0248 -0.1136 463 PRO A CD 651 N N . ILE A 86 ? 0.2407 0.2642 0.2512 -0.0166 -0.0131 -0.0567 464 ILE A N 652 C CA . ILE A 86 ? 0.2535 0.2809 0.2581 -0.0189 0.0032 -0.0162 464 ILE A CA 653 C C . ILE A 86 ? 0.2908 0.2281 0.2866 0.0068 0.0137 -0.0277 464 ILE A C 654 O O . ILE A 86 ? 0.2652 0.2642 0.3742 -0.0218 0.0408 -0.0817 464 ILE A O 655 C CB . ILE A 86 ? 0.2361 0.2488 0.2576 -0.0102 -0.0176 -0.0274 464 ILE A CB 656 C CG1 . ILE A 86 ? 0.2681 0.2938 0.2470 -0.0180 0.0045 -0.0536 464 ILE A CG1 657 C CG2 . ILE A 86 ? 0.2387 0.2553 0.3178 -0.0144 -0.0007 0.0030 464 ILE A CG2 658 C CD1 . ILE A 86 ? 0.2285 0.2130 0.2243 -0.0237 0.0438 -0.0249 464 ILE A CD1 659 N N . SER A 87 ? 0.2584 0.2714 0.2926 -0.0460 -0.0002 -0.0177 465 SER A N 660 C CA . SER A 87 ? 0.3138 0.2867 0.3285 0.0056 0.0162 -0.0457 465 SER A CA 661 C C . SER A 87 ? 0.2964 0.2829 0.3464 0.0110 0.0012 -0.0394 465 SER A C 662 O O . SER A 87 ? 0.2922 0.2501 0.3603 0.0028 -0.0654 -0.0823 465 SER A O 663 C CB . SER A 87 ? 0.3997 0.4066 0.3494 -0.0463 -0.0589 -0.0560 465 SER A CB 664 O OG . SER A 87 ? 0.5496 0.4171 0.3760 -0.0258 0.0048 -0.0453 465 SER A OG 665 N N . GLN A 88 ? 0.3077 0.2758 0.2506 0.0215 0.0137 -0.0052 466 GLN A N 666 C CA . GLN A 88 ? 0.3163 0.3452 0.3495 -0.0134 -0.0470 0.0495 466 GLN A CA 667 C C . GLN A 88 ? 0.2826 0.2984 0.2761 0.0087 0.0086 0.0364 466 GLN A C 668 O O . GLN A 88 ? 0.2741 0.2794 0.3115 0.0391 0.0426 0.0039 466 GLN A O 669 C CB . GLN A 88 ? 0.3724 0.3380 0.3797 0.0123 -0.0084 0.0583 466 GLN A CB 670 C CG . GLN A 88 ? 0.4727 0.4723 0.3861 -0.0148 -0.0832 0.0585 466 GLN A CG 671 C CD . GLN A 88 ? 0.7397 0.4718 0.4473 -0.0014 0.0411 0.0180 466 GLN A CD 672 O OE1 . GLN A 88 ? 0.8091 0.6961 0.6158 0.0948 0.0544 -0.1484 466 GLN A OE1 673 N NE2 . GLN A 88 ? 0.8007 0.9108 0.5128 -0.1479 0.1704 -0.1071 466 GLN A NE2 674 N N . PHE A 89 ? 0.2264 0.2236 0.3092 -0.0116 0.0102 -0.0105 467 PHE A N 675 C CA . PHE A 89 ? 0.2710 0.2549 0.2700 0.0090 0.0078 -0.0080 467 PHE A CA 676 C C . PHE A 89 ? 0.2744 0.2463 0.3221 0.0191 -0.0210 0.0144 467 PHE A C 677 O O . PHE A 89 ? 0.3950 0.3152 0.3900 -0.0271 -0.0898 0.0103 467 PHE A O 678 C CB . PHE A 89 ? 0.2627 0.2119 0.2495 -0.0242 -0.0014 -0.0322 467 PHE A CB 679 C CG . PHE A 89 ? 0.2760 0.2464 0.2700 -0.0028 0.0020 -0.0226 467 PHE A CG 680 C CD1 . PHE A 89 ? 0.2656 0.2525 0.2705 -0.0218 -0.0015 -0.0301 467 PHE A CD1 681 C CD2 . PHE A 89 ? 0.2860 0.2740 0.2795 -0.0077 -0.0377 -0.0470 467 PHE A CD2 682 C CE1 . PHE A 89 ? 0.3088 0.3005 0.2328 -0.0322 -0.0094 -0.0458 467 PHE A CE1 683 C CE2 . PHE A 89 ? 0.2939 0.3366 0.2763 0.0072 0.0323 -0.0087 467 PHE A CE2 684 C CZ . PHE A 89 ? 0.2841 0.3073 0.3174 -0.0395 0.0061 -0.0191 467 PHE A CZ 685 N N . ASN A 90 ? 0.2234 0.2418 0.2852 0.0207 0.0119 -0.0218 468 ASN A N 686 C CA . ASN A 90 ? 0.2375 0.2673 0.2530 0.0014 0.0051 -0.0301 468 ASN A CA 687 C C . ASN A 90 ? 0.2742 0.2766 0.2895 0.0123 0.0035 -0.0320 468 ASN A C 688 O O . ASN A 90 ? 0.2656 0.2344 0.3008 0.0269 0.0237 -0.0069 468 ASN A O 689 C CB . ASN A 90 ? 0.2230 0.2451 0.2399 -0.0097 -0.0163 -0.0438 468 ASN A CB 690 C CG . ASN A 90 ? 0.2282 0.2668 0.2242 0.0043 -0.0082 -0.0273 468 ASN A CG 691 O OD1 . ASN A 90 ? 0.2096 0.3170 0.2165 0.0163 -0.0014 -0.0196 468 ASN A OD1 692 N ND2 . ASN A 90 ? 0.2313 0.2687 0.2124 0.0043 -0.0233 -0.0320 468 ASN A ND2 693 N N . TYR A 91 ? 0.2520 0.2355 0.2876 -0.0396 0.0791 -0.0220 469 TYR A N 694 C CA . TYR A 91 ? 0.2455 0.2648 0.2815 0.0038 0.0219 -0.0006 469 TYR A CA 695 C C . TYR A 91 ? 0.2651 0.2614 0.2692 -0.0094 0.0194 0.0070 469 TYR A C 696 O O . TYR A 91 ? 0.2780 0.3105 0.2701 0.0038 0.0153 -0.0045 469 TYR A O 697 C CB . TYR A 91 ? 0.2933 0.2458 0.2899 -0.0074 0.0493 -0.0072 469 TYR A CB 698 C CG . TYR A 91 ? 0.2730 0.2680 0.3490 0.0018 -0.0033 -0.0252 469 TYR A CG 699 C CD1 . TYR A 91 ? 0.3416 0.2780 0.2899 -0.0214 -0.0771 -0.0486 469 TYR A CD1 700 C CD2 . TYR A 91 ? 0.2826 0.2568 0.3364 -0.0467 0.0489 -0.0058 469 TYR A CD2 701 C CE1 . TYR A 91 ? 0.3278 0.2920 0.3737 -0.0120 -0.0597 -0.0249 469 TYR A CE1 702 C CE2 . TYR A 91 ? 0.2202 0.2929 0.3271 -0.0107 0.0254 -0.0256 469 TYR A CE2 703 C CZ . TYR A 91 ? 0.3309 0.2707 0.3155 -0.0067 -0.0449 0.0023 469 TYR A CZ 704 O OH . TYR A 91 ? 0.2887 0.2647 0.2971 -0.0128 -0.0027 -0.0207 469 TYR A OH 705 N N . LYS A 92 ? 0.2490 0.2803 0.3053 -0.0307 0.0201 0.0082 470 LYS A N 706 C CA . LYS A 92 ? 0.3247 0.3262 0.2945 -0.0025 0.0119 0.0135 470 LYS A CA 707 C C . LYS A 92 ? 0.3372 0.3128 0.3444 -0.0025 0.0283 -0.0269 470 LYS A C 708 O O . LYS A 92 ? 0.3444 0.2476 0.3321 0.0349 0.0008 -0.0094 470 LYS A O 709 C CB . LYS A 92 ? 0.4128 0.2973 0.3919 -0.0642 0.0652 -0.0123 470 LYS A CB 710 C CG . LYS A 92 ? 0.6023 0.5290 0.4007 -0.0721 0.0849 -0.0189 470 LYS A CG 711 C CD . LYS A 92 ? 0.5327 0.6874 0.6141 -0.1028 0.1507 -0.0222 470 LYS A CD 712 C CE . LYS A 92 ? 0.7321 0.8133 0.5985 -0.0093 0.2145 0.0135 470 LYS A CE 713 N NZ . LYS A 92 ? 0.8792 1.3135 0.8701 -0.1994 0.3454 0.0440 470 LYS A NZ 714 N N . GLN A 93 ? 0.3652 0.3310 0.2970 -0.0229 0.0483 -0.0227 471 GLN A N 715 C CA . GLN A 93 ? 0.3707 0.3451 0.3909 -0.0072 0.0440 -0.0262 471 GLN A CA 716 C C . GLN A 93 ? 0.3732 0.3571 0.3608 0.0342 0.0315 -0.0164 471 GLN A C 717 O O . GLN A 93 ? 0.3584 0.3679 0.3195 0.0793 0.0218 -0.0554 471 GLN A O 718 C CB . GLN A 93 ? 0.4301 0.2830 0.4266 -0.0139 0.0556 0.0330 471 GLN A CB 719 C CG . GLN A 93 ? 0.4504 0.3277 0.4309 -0.0209 0.0858 -0.0505 471 GLN A CG 720 C CD . GLN A 93 ? 0.3239 0.3812 0.3982 -0.0172 0.0423 0.0197 471 GLN A CD 721 O OE1 . GLN A 93 ? 0.3954 0.3513 0.4451 0.0453 -0.0048 0.0218 471 GLN A OE1 722 N NE2 . GLN A 93 ? 0.3298 0.3495 0.3636 -0.0004 0.1251 0.0160 471 GLN A NE2 723 N N . SER A 94 ? 0.3678 0.3383 0.3678 0.0313 0.0137 -0.0125 472 SER A N 724 C CA . SER A 94 ? 0.4086 0.3751 0.3867 0.0776 0.0193 -0.0224 472 SER A CA 725 C C . SER A 94 ? 0.4481 0.3716 0.3719 0.0709 0.0674 -0.0666 472 SER A C 726 O O . SER A 94 ? 0.5472 0.3710 0.4086 0.0070 0.0424 -0.0325 472 SER A O 727 C CB . SER A 94 ? 0.4220 0.4124 0.4446 0.1018 0.0334 -0.0250 472 SER A CB 728 O OG . SER A 94 ? 0.4414 0.3358 0.4532 0.0987 -0.0159 -0.0830 472 SER A OG 729 N N . PHE A 95 ? 0.5116 0.2996 0.4510 0.1280 0.0989 -0.0090 473 PHE A N 730 C CA . PHE A 95 ? 0.5587 0.4603 0.4881 0.0527 0.0601 -0.0436 473 PHE A CA 731 C C . PHE A 95 ? 0.5399 0.3353 0.4187 0.0168 0.0112 -0.0061 473 PHE A C 732 O O . PHE A 95 ? 0.6088 0.4123 0.4500 0.0677 0.0690 -0.1145 473 PHE A O 733 C CB . PHE A 95 ? 0.5993 0.5112 0.4770 0.0321 0.1405 -0.0074 473 PHE A CB 734 C CG . PHE A 95 ? 0.7177 0.6947 0.6663 -0.1065 0.1333 -0.0070 473 PHE A CG 735 C CD1 . PHE A 95 ? 0.6903 0.7567 0.8317 -0.0253 0.0913 -0.1117 473 PHE A CD1 736 C CD2 . PHE A 95 ? 0.7772 0.7605 0.7628 -0.0126 0.2222 -0.0811 473 PHE A CD2 737 C CE1 . PHE A 95 ? 0.7220 0.8133 0.9695 -0.1164 0.2239 0.0350 473 PHE A CE1 738 C CE2 . PHE A 95 ? 0.8388 0.8536 0.7194 -0.1254 0.2351 0.0462 473 PHE A CE2 739 C CZ . PHE A 95 ? 0.7076 0.7329 0.9559 -0.2549 0.2208 0.0804 473 PHE A CZ 740 N N . SER A 96 ? 0.4334 0.2986 0.5072 -0.0165 0.0705 0.0287 474 SER A N 741 C CA . SER A 96 ? 0.4353 0.4657 0.4771 0.0339 0.0574 0.0008 474 SER A CA 742 C C . SER A 96 ? 0.4468 0.4723 0.4335 0.0134 0.0755 0.0007 474 SER A C 743 O O . SER A 96 ? 0.6980 0.4501 0.5918 0.0032 0.2103 -0.0852 474 SER A O 744 C CB . SER A 96 ? 0.3962 0.5157 0.4809 0.0432 0.0523 -0.0529 474 SER A CB 745 O OG . SER A 96 ? 0.4759 0.6084 0.5293 -0.0210 0.0019 -0.1011 474 SER A OG 746 N N . ASN A 97 ? 0.2964 0.3394 0.4273 -0.0188 0.0390 -0.0363 475 ASN A N 747 C CA . ASN A 97 ? 0.3363 0.3390 0.3980 -0.0246 0.0387 -0.0359 475 ASN A CA 748 C C . ASN A 97 ? 0.3183 0.3193 0.4021 0.0122 -0.0126 -0.0173 475 ASN A C 749 O O . ASN A 97 ? 0.2912 0.2878 0.3068 -0.0133 -0.0131 -0.0093 475 ASN A O 750 C CB . ASN A 97 ? 0.3933 0.3508 0.3925 -0.0285 0.0432 -0.0283 475 ASN A CB 751 C CG . ASN A 97 ? 0.3991 0.4843 0.5043 -0.0048 0.0469 -0.0610 475 ASN A CG 752 O OD1 . ASN A 97 ? 0.4256 0.4891 0.6118 -0.1608 -0.0242 0.0098 475 ASN A OD1 753 N ND2 . ASN A 97 ? 0.2992 0.5485 0.4873 0.0499 0.0252 -0.0312 475 ASN A ND2 754 N N . PRO A 98 ? 0.3198 0.3236 0.3630 -0.0129 0.0324 -0.0474 476 PRO A N 755 C CA . PRO A 98 ? 0.2965 0.3065 0.3348 0.0208 0.0150 -0.0523 476 PRO A CA 756 C C . PRO A 98 ? 0.3016 0.2942 0.2862 0.0002 -0.0165 -0.0157 476 PRO A C 757 O O . PRO A 98 ? 0.3027 0.2777 0.2583 0.0061 -0.0001 0.0178 476 PRO A O 758 C CB . PRO A 98 ? 0.2964 0.3124 0.3187 0.0277 -0.0081 -0.0480 476 PRO A CB 759 C CG . PRO A 98 ? 0.2913 0.3414 0.3676 -0.0221 0.0303 -0.0621 476 PRO A CG 760 C CD . PRO A 98 ? 0.2919 0.3165 0.2962 -0.0076 -0.0521 -0.0005 476 PRO A CD 761 N N . THR A 99 ? 0.2946 0.2529 0.3040 -0.0049 -0.0087 -0.0245 477 THR A N 762 C CA . THR A 99 ? 0.2944 0.2980 0.3223 -0.0357 -0.0016 -0.0374 477 THR A CA 763 C C . THR A 99 ? 0.3141 0.3500 0.3083 -0.0511 0.0149 -0.0184 477 THR A C 764 O O . THR A 99 ? 0.3107 0.3536 0.2663 -0.0021 0.0261 -0.0348 477 THR A O 765 C CB . THR A 99 ? 0.2435 0.2936 0.3190 -0.0061 -0.0209 -0.0139 477 THR A CB 766 O OG1 . THR A 99 ? 0.2484 0.2862 0.3597 0.0232 -0.0317 0.0058 477 THR A OG1 767 C CG2 . THR A 99 ? 0.2827 0.1593 0.2845 -0.0394 -0.0391 -0.0080 477 THR A CG2 768 N N . CYS A 100 ? 0.3383 0.3188 0.3088 -0.0109 0.0305 -0.0176 478 CYS A N 769 C CA . CYS A 100 ? 0.3139 0.2995 0.2934 0.0163 0.0138 -0.0206 478 CYS A CA 770 C C . CYS A 100 ? 0.2596 0.2885 0.3266 0.0090 -0.0108 -0.0216 478 CYS A C 771 O O . CYS A 100 ? 0.2463 0.2400 0.3224 -0.0023 -0.0125 -0.0060 478 CYS A O 772 C CB . CYS A 100 ? 0.3348 0.3223 0.4755 -0.0444 0.0085 0.0085 478 CYS A CB 773 S SG . CYS A 100 ? 0.4351 0.4448 0.4919 -0.0224 -0.0130 -0.0363 478 CYS A SG 774 N N . LEU A 101 ? 0.2768 0.2063 0.3046 0.0502 -0.0368 0.0289 479 LEU A N 775 C CA . LEU A 101 ? 0.2523 0.2681 0.3164 0.0088 -0.0075 -0.0007 479 LEU A CA 776 C C . LEU A 101 ? 0.2785 0.2516 0.2379 0.0040 -0.0128 0.0127 479 LEU A C 777 O O . LEU A 101 ? 0.2217 0.2303 0.2674 0.0122 -0.0232 0.0097 479 LEU A O 778 C CB . LEU A 101 ? 0.3737 0.2917 0.3188 0.0152 -0.0417 0.0223 479 LEU A CB 779 C CG . LEU A 101 ? 0.5707 0.3176 0.4915 0.1097 -0.1339 0.0180 479 LEU A CG 780 C CD1 . LEU A 101 ? 0.4336 0.2871 0.4994 0.1122 -0.0970 0.0704 479 LEU A CD1 781 C CD2 . LEU A 101 ? 0.7189 0.4576 0.6344 -0.0766 -0.1245 0.1473 479 LEU A CD2 782 N N . ILE A 102 ? 0.2786 0.2604 0.2313 0.0315 -0.0194 0.0127 480 ILE A N 783 C CA . ILE A 102 ? 0.2838 0.2614 0.2898 -0.0068 -0.0088 -0.0173 480 ILE A CA 784 C C . ILE A 102 ? 0.2524 0.3025 0.3047 0.0027 -0.0150 -0.0353 480 ILE A C 785 O O . ILE A 102 ? 0.2473 0.3494 0.3059 -0.0328 -0.0034 -0.0484 480 ILE A O 786 C CB . ILE A 102 ? 0.2939 0.2729 0.3040 -0.0046 0.0098 0.0068 480 ILE A CB 787 C CG1 . ILE A 102 ? 0.3054 0.2830 0.2605 -0.0117 -0.0224 -0.0235 480 ILE A CG1 788 C CG2 . ILE A 102 ? 0.2994 0.3274 0.2840 -0.0217 -0.0195 0.0288 480 ILE A CG2 789 C CD1 . ILE A 102 ? 0.3261 0.2829 0.3222 -0.0055 -0.0093 0.0259 480 ILE A CD1 790 N N . LEU A 103 ? 0.2377 0.2146 0.2985 -0.0301 0.0035 -0.0042 481 LEU A N 791 C CA . LEU A 103 ? 0.2323 0.2465 0.2764 0.0038 -0.0099 0.0184 481 LEU A CA 792 C C . LEU A 103 ? 0.2643 0.2613 0.2651 -0.0108 -0.0085 0.0083 481 LEU A C 793 O O . LEU A 103 ? 0.2213 0.2436 0.3685 -0.0167 -0.0456 0.0373 481 LEU A O 794 C CB . LEU A 103 ? 0.2674 0.2412 0.2897 0.0064 -0.0454 0.0149 481 LEU A CB 795 C CG . LEU A 103 ? 0.2740 0.3123 0.3166 -0.0250 -0.0686 0.0438 481 LEU A CG 796 C CD1 . LEU A 103 ? 0.3561 0.2570 0.2311 -0.0056 -0.0431 0.0485 481 LEU A CD1 797 C CD2 . LEU A 103 ? 0.2990 0.3005 0.3331 -0.0598 -0.0370 0.0267 481 LEU A CD2 798 N N . ALA A 104 ? 0.2823 0.2397 0.2567 0.0168 -0.0098 0.0104 482 ALA A N 799 C CA . ALA A 104 ? 0.3154 0.2747 0.2906 0.0293 0.0160 0.0335 482 ALA A CA 800 C C . ALA A 104 ? 0.2697 0.2595 0.3358 0.0460 0.0163 0.0210 482 ALA A C 801 O O . ALA A 104 ? 0.2374 0.3100 0.3358 0.0190 -0.0331 -0.0156 482 ALA A O 802 C CB . ALA A 104 ? 0.2723 0.2515 0.2691 0.0308 0.0378 0.0217 482 ALA A CB 803 N N . THR A 105 ? 0.3115 0.3085 0.3415 0.0019 0.0199 0.0064 483 THR A N 804 C CA . THR A 105 ? 0.3151 0.3213 0.3343 0.0014 0.0430 0.0220 483 THR A CA 805 C C . THR A 105 ? 0.3144 0.3019 0.3299 -0.0254 0.0417 0.0058 483 THR A C 806 O O . THR A 105 ? 0.2688 0.3160 0.3611 0.0724 0.0576 -0.0125 483 THR A O 807 C CB . THR A 105 ? 0.3374 0.3384 0.3730 0.0114 0.0325 -0.0095 483 THR A CB 808 O OG1 . THR A 105 ? 0.3560 0.3541 0.3676 0.0178 0.0769 -0.0162 483 THR A OG1 809 C CG2 . THR A 105 ? 0.3614 0.3493 0.4214 0.0155 0.0469 -0.0628 483 THR A CG2 810 N N . VAL A 106 ? 0.2594 0.2852 0.3322 -0.0146 0.0717 -0.0154 484 VAL A N 811 C CA . VAL A 106 ? 0.3507 0.2945 0.3809 -0.0101 0.0171 0.0093 484 VAL A CA 812 C C . VAL A 106 ? 0.3555 0.3691 0.4236 0.0155 0.0539 0.0008 484 VAL A C 813 O O . VAL A 106 ? 0.4932 0.3130 0.5068 0.0275 0.0859 -0.0292 484 VAL A O 814 C CB . VAL A 106 ? 0.3457 0.3587 0.3736 -0.0107 0.0134 0.0000 484 VAL A CB 815 C CG1 . VAL A 106 ? 0.4352 0.3353 0.4244 -0.0382 0.0364 0.0700 484 VAL A CG1 816 C CG2 . VAL A 106 ? 0.4065 0.2723 0.3826 -0.0717 0.0173 0.0101 484 VAL A CG2 817 N N . PRO A 107 ? 0.4287 0.3716 0.4039 0.0064 0.0538 0.0331 485 PRO A N 818 C CA . PRO A 107 ? 0.4103 0.4053 0.4736 -0.0189 0.0301 0.0312 485 PRO A CA 819 C C . PRO A 107 ? 0.5529 0.4825 0.4425 0.0007 0.0349 0.1055 485 PRO A C 820 O O . PRO A 107 ? 0.6176 0.5185 0.3426 -0.0163 0.0456 0.0133 485 PRO A O 821 C CB . PRO A 107 ? 0.3924 0.3941 0.4547 -0.0113 0.0797 0.0502 485 PRO A CB 822 C CG . PRO A 107 ? 0.5112 0.4368 0.4860 -0.0916 0.1403 -0.0025 485 PRO A CG 823 C CD . PRO A 107 ? 0.4465 0.3223 0.4334 -0.0151 0.0754 0.0022 485 PRO A CD 824 N N . HIS A 108 ? 0.6315 0.6514 0.6297 0.0740 0.1257 0.0773 486 HIS A N 825 C CA . HIS A 108 ? 0.7249 0.9263 0.6122 0.1515 0.0663 0.0918 486 HIS A CA 826 C C . HIS A 108 ? 0.7243 0.7323 0.5587 0.0880 0.1176 0.0805 486 HIS A C 827 O O . HIS A 108 ? 0.6460 1.0413 0.5120 0.0398 0.1784 0.0630 486 HIS A O 828 C CB . HIS A 108 ? 0.7551 1.0440 0.7393 0.1533 0.1774 0.1365 486 HIS A CB 829 C CG . HIS A 108 ? 1.0402 0.9874 0.9377 0.1685 0.1008 0.1610 486 HIS A CG 830 N ND1 . HIS A 108 ? 1.0438 1.0905 0.6525 0.1008 0.2043 0.0404 486 HIS A ND1 831 C CD2 . HIS A 108 ? 1.0253 1.0196 0.9607 0.0751 0.0970 0.1074 486 HIS A CD2 832 C CE1 . HIS A 108 ? 1.1944 1.1606 0.7913 0.1057 0.1088 0.1164 486 HIS A CE1 833 N NE2 . HIS A 108 ? 0.9451 1.1605 0.9133 0.1606 0.0665 0.2213 486 HIS A NE2 834 N N . ASN A 109 ? 0.6550 0.6879 0.5711 0.0870 0.2028 0.1134 487 ASN A N 835 C CA . ASN A 109 ? 0.7664 0.6909 0.6060 0.0051 0.1423 0.2119 487 ASN A CA 836 C C . ASN A 109 ? 0.7421 0.6740 0.7416 -0.0250 0.0328 0.1778 487 ASN A C 837 O O . ASN A 109 ? 0.9038 0.6446 0.6717 -0.0739 0.1725 0.3970 487 ASN A O 838 C CB . ASN A 109 ? 0.7563 0.6896 0.7513 -0.0175 0.0656 0.1627 487 ASN A CB 839 C CG . ASN A 109 ? 0.9727 0.7415 0.8384 -0.0557 -0.0376 0.1060 487 ASN A CG 840 O OD1 . ASN A 109 ? 1.1871 0.5442 1.0419 0.0167 -0.0301 0.4583 487 ASN A OD1 841 N ND2 . ASN A 109 ? 1.0120 0.8982 1.1082 -0.1099 -0.2206 0.0751 487 ASN A ND2 842 N N . LEU A 110 ? 0.6563 0.7620 0.4893 -0.0182 0.0684 0.0932 488 LEU A N 843 C CA . LEU A 110 ? 0.6611 0.5536 0.5253 -0.0591 0.0817 0.0329 488 LEU A CA 844 C C . LEU A 110 ? 0.7284 0.5744 0.4984 -0.0144 0.0667 0.0427 488 LEU A C 845 O O . LEU A 110 ? 0.9450 0.5589 0.4844 0.0875 0.0981 0.0436 488 LEU A O 846 C CB . LEU A 110 ? 0.6434 0.4539 0.5271 -0.0815 0.0475 0.0700 488 LEU A CB 847 C CG . LEU A 110 ? 0.6209 0.6365 0.5535 0.0374 0.0366 0.1274 488 LEU A CG 848 C CD1 . LEU A 110 ? 0.7159 0.7272 0.4150 0.1142 0.1951 0.2487 488 LEU A CD1 849 C CD2 . LEU A 110 ? 0.6467 0.2668 0.5427 -0.0998 -0.0303 0.0498 488 LEU A CD2 850 N N . THR A 111 ? 0.6695 0.5206 0.4877 -0.0577 0.1027 0.0693 489 THR A N 851 C CA . THR A 111 ? 0.6539 0.4876 0.5167 -0.0334 0.0718 0.0561 489 THR A CA 852 C C . THR A 111 ? 0.5813 0.5080 0.5120 0.0006 0.1330 0.0768 489 THR A C 853 O O . THR A 111 ? 0.7852 0.4821 0.5334 0.0007 0.1448 0.0931 489 THR A O 854 C CB . THR A 111 ? 0.6151 0.6005 0.5204 -0.0111 0.0705 0.0919 489 THR A CB 855 O OG1 . THR A 111 ? 0.7942 0.6330 0.5648 0.0477 0.0934 0.1947 489 THR A OG1 856 C CG2 . THR A 111 ? 0.6375 0.6176 0.4227 -0.0785 0.0894 0.0743 489 THR A CG2 857 N N . THR A 112 ? 0.5451 0.3827 0.4659 0.0407 0.0092 0.1242 490 THR A N 858 C CA . THR A 112 ? 0.5454 0.4236 0.4022 0.0293 -0.0150 0.0861 490 THR A CA 859 C C . THR A 112 ? 0.5919 0.3715 0.4725 0.0086 -0.0387 0.0641 490 THR A C 860 O O . THR A 112 ? 0.5810 0.3830 0.3771 0.0096 -0.0092 0.0214 490 THR A O 861 C CB . THR A 112 ? 0.5785 0.4713 0.3993 0.0797 -0.0600 0.1003 490 THR A CB 862 O OG1 . THR A 112 ? 0.6320 0.4017 0.4012 0.0836 -0.0895 0.1156 490 THR A OG1 863 C CG2 . THR A 112 ? 0.5744 0.4909 0.4643 0.0761 -0.0618 0.1282 490 THR A CG2 864 N N . ILE A 113 ? 0.5203 0.3630 0.4344 0.0313 0.0005 0.0177 491 ILE A N 865 C CA . ILE A 113 ? 0.5358 0.4101 0.4039 0.0578 -0.0121 0.0345 491 ILE A CA 866 C C . ILE A 113 ? 0.4236 0.4724 0.4303 0.0208 0.0106 0.0360 491 ILE A C 867 O O . ILE A 113 ? 0.4132 0.5498 0.5073 0.0105 0.0980 -0.0369 491 ILE A O 868 C CB . ILE A 113 ? 0.4037 0.4018 0.4129 0.0411 -0.0653 0.0400 491 ILE A CB 869 C CG1 . ILE A 113 ? 0.4317 0.4106 0.3828 0.0696 -0.0789 0.0538 491 ILE A CG1 870 C CG2 . ILE A 113 ? 0.3459 0.4105 0.3532 0.0642 -0.0175 0.0362 491 ILE A CG2 871 C CD1 . ILE A 113 ? 0.4407 0.4631 0.3980 0.0250 -0.1292 0.0505 491 ILE A CD1 872 N N . THR A 114 ? 0.4840 0.4278 0.2862 0.0511 -0.0096 0.0582 492 THR A N 873 C CA . THR A 114 ? 0.5267 0.3943 0.4280 0.0225 0.0577 0.0329 492 THR A CA 874 C C . THR A 114 ? 0.4280 0.4034 0.3952 0.0020 0.0227 0.0083 492 THR A C 875 O O . THR A 114 ? 0.4227 0.3560 0.3951 0.0538 0.0483 0.0176 492 THR A O 876 C CB . THR A 114 ? 0.5297 0.4545 0.4560 0.0196 0.0280 0.0323 492 THR A CB 877 O OG1 . THR A 114 ? 0.5276 0.4988 0.5021 0.0449 0.0088 0.0345 492 THR A OG1 878 C CG2 . THR A 114 ? 0.7755 0.5506 0.5078 0.0105 0.0972 0.0841 492 THR A CG2 879 N N . LYS A 115 ? 0.4237 0.4434 0.3975 -0.0041 0.0543 -0.0132 493 LYS A N 880 C CA . LYS A 115 ? 0.4642 0.4468 0.4284 -0.0343 0.0329 0.0240 493 LYS A CA 881 C C . LYS A 115 ? 0.4708 0.4342 0.3475 0.0012 0.0200 0.0350 493 LYS A C 882 O O . LYS A 115 ? 0.4707 0.4431 0.3106 0.0168 0.1194 0.0443 493 LYS A O 883 C CB . LYS A 115 ? 0.4432 0.4142 0.4465 -0.0332 0.0532 0.0333 493 LYS A CB 884 C CG . LYS A 115 ? 0.5616 0.5125 0.4551 -0.0711 0.0550 -0.0745 493 LYS A CG 885 C CD . LYS A 115 ? 0.5212 0.5283 0.6331 -0.0412 0.0325 0.0518 493 LYS A CD 886 C CE . LYS A 115 ? 0.5788 0.4603 0.5744 -0.0444 0.1092 0.1373 493 LYS A CE 887 N NZ . LYS A 115 ? 0.6306 0.6138 0.5436 -0.1313 0.1491 0.1520 493 LYS A NZ 888 N N . PRO A 116 ? 0.3701 0.4136 0.4135 -0.0159 0.0497 0.0404 494 PRO A N 889 C CA . PRO A 116 ? 0.4029 0.3827 0.3985 0.0191 0.0413 0.0260 494 PRO A CA 890 C C . PRO A 116 ? 0.3828 0.3865 0.3389 -0.0083 0.0686 -0.0376 494 PRO A C 891 O O . PRO A 116 ? 0.3677 0.3019 0.3869 -0.0016 0.0522 0.0607 494 PRO A O 892 C CB . PRO A 116 ? 0.3889 0.3831 0.3601 0.0737 0.0387 -0.0314 494 PRO A CB 893 C CG . PRO A 116 ? 0.4494 0.4046 0.3397 -0.0264 -0.0250 0.0301 494 PRO A CG 894 C CD . PRO A 116 ? 0.4172 0.3606 0.4062 -0.0095 0.0360 0.0140 494 PRO A CD 895 N N . LEU A 117 ? 0.4728 0.3653 0.3075 0.0075 0.0594 -0.0294 495 LEU A N 896 C CA . LEU A 117 ? 0.4536 0.4507 0.3878 0.0145 0.0432 -0.0152 495 LEU A CA 897 C C . LEU A 117 ? 0.3427 0.4020 0.3919 -0.0347 0.0500 -0.0299 495 LEU A C 898 O O . LEU A 117 ? 0.3222 0.4297 0.3979 -0.0222 0.1881 -0.0251 495 LEU A O 899 C CB . LEU A 117 ? 0.4877 0.4032 0.5638 -0.0051 0.1229 -0.0397 495 LEU A CB 900 C CG . LEU A 117 ? 0.7901 0.5512 0.5559 -0.0314 -0.0385 -0.0761 495 LEU A CG 901 C CD1 . LEU A 117 ? 0.7988 0.5336 0.5832 -0.1274 0.0528 -0.0215 495 LEU A CD1 902 C CD2 . LEU A 117 ? 0.6641 0.6085 0.8368 0.0527 -0.1186 -0.2399 495 LEU A CD2 903 N N . LYS A 118 ? 0.2681 0.2892 0.3271 -0.0469 -0.0027 -0.0477 496 LYS A N 904 C CA . LYS A 118 ? 0.3231 0.3007 0.3324 -0.0233 0.0503 -0.0156 496 LYS A CA 905 C C . LYS A 118 ? 0.2759 0.2280 0.2778 -0.0204 0.0073 -0.0089 496 LYS A C 906 O O . LYS A 118 ? 0.3031 0.2652 0.3057 0.0015 0.0082 0.0249 496 LYS A O 907 C CB . LYS A 118 ? 0.3082 0.2989 0.3652 0.0206 0.0979 -0.0249 496 LYS A CB 908 C CG . LYS A 118 ? 0.3457 0.3318 0.2869 -0.0181 0.0723 -0.0684 496 LYS A CG 909 C CD . LYS A 118 ? 0.4226 0.3446 0.3858 -0.0072 0.0651 0.0210 496 LYS A CD 910 C CE . LYS A 118 ? 0.4331 0.3685 0.4083 0.0122 0.0324 -0.0219 496 LYS A CE 911 N NZ . LYS A 118 ? 0.3582 0.3767 0.4785 -0.0969 -0.0051 0.0272 496 LYS A NZ 912 N N . TYR A 119 ? 0.2071 0.2063 0.2716 -0.0576 0.0082 -0.0063 497 TYR A N 913 C CA . TYR A 119 ? 0.2546 0.2512 0.2764 -0.0337 0.0079 -0.0364 497 TYR A CA 914 C C . TYR A 119 ? 0.2801 0.2748 0.3053 -0.0410 0.0074 0.0099 497 TYR A C 915 O O . TYR A 119 ? 0.3631 0.2641 0.3415 -0.0236 0.0070 0.0074 497 TYR A O 916 C CB . TYR A 119 ? 0.2071 0.2338 0.2526 -0.0008 -0.0070 -0.0194 497 TYR A CB 917 C CG . TYR A 119 ? 0.2694 0.2562 0.3090 -0.0188 0.0048 0.0027 497 TYR A CG 918 C CD1 . TYR A 119 ? 0.2379 0.2751 0.2732 -0.0062 0.0482 -0.0086 497 TYR A CD1 919 C CD2 . TYR A 119 ? 0.2705 0.2975 0.2984 -0.0289 0.0412 0.0035 497 TYR A CD2 920 C CE1 . TYR A 119 ? 0.2724 0.2716 0.2294 -0.0149 0.0253 -0.0158 497 TYR A CE1 921 C CE2 . TYR A 119 ? 0.2517 0.2921 0.2769 -0.0209 -0.0133 0.0285 497 TYR A CE2 922 C CZ . TYR A 119 ? 0.2774 0.2775 0.2996 -0.0225 0.0376 0.0424 497 TYR A CZ 923 O OH . TYR A 119 ? 0.2143 0.2916 0.2885 -0.0501 -0.0004 0.0214 497 TYR A OH 924 N N . SER A 120 ? 0.2568 0.2210 0.2776 -0.0194 -0.0120 -0.0408 498 SER A N 925 C CA . SER A 120 ? 0.2243 0.2659 0.2600 -0.0265 0.0018 -0.0191 498 SER A CA 926 C C . SER A 120 ? 0.2426 0.2431 0.2651 -0.0120 -0.0040 -0.0172 498 SER A C 927 O O . SER A 120 ? 0.2229 0.2201 0.3586 -0.0253 0.0344 -0.0311 498 SER A O 928 C CB . SER A 120 ? 0.2308 0.1804 0.2810 -0.0584 0.0266 -0.0331 498 SER A CB 929 O OG . SER A 120 ? 0.2328 0.2061 0.2744 -0.0400 0.0029 -0.0313 498 SER A OG 930 N N . TYR A 121 ? 0.2216 0.2604 0.2473 -0.0275 -0.0301 -0.0177 499 TYR A N 931 C CA . TYR A 121 ? 0.2396 0.2699 0.2319 -0.0372 -0.0222 -0.0010 499 TYR A CA 932 C C . TYR A 121 ? 0.2191 0.2375 0.2539 -0.0326 -0.0162 -0.0482 499 TYR A C 933 O O . TYR A 121 ? 0.1807 0.3030 0.2762 -0.0154 0.0074 -0.0736 499 TYR A O 934 C CB . TYR A 121 ? 0.2070 0.2235 0.2411 -0.0409 0.0016 -0.0048 499 TYR A CB 935 C CG . TYR A 121 ? 0.2429 0.2609 0.2598 0.0125 -0.0084 -0.0159 499 TYR A CG 936 C CD1 . TYR A 121 ? 0.2339 0.2254 0.3219 -0.0062 -0.0169 -0.0617 499 TYR A CD1 937 C CD2 . TYR A 121 ? 0.2331 0.2089 0.2531 0.0296 0.0256 -0.0450 499 TYR A CD2 938 C CE1 . TYR A 121 ? 0.2323 0.2082 0.2984 -0.0517 -0.0267 -0.0326 499 TYR A CE1 939 C CE2 . TYR A 121 ? 0.2667 0.2457 0.3109 0.0199 0.0105 -0.0045 499 TYR A CE2 940 C CZ . TYR A 121 ? 0.2631 0.2537 0.3272 0.0018 -0.0292 -0.0098 499 TYR A CZ 941 O OH . TYR A 121 ? 0.2416 0.2935 0.3515 0.0049 -0.0253 -0.0045 499 TYR A OH 942 N N . ILE A 122 ? 0.2355 0.2446 0.2449 -0.0334 0.0046 -0.0326 500 ILE A N 943 C CA . ILE A 122 ? 0.2420 0.2546 0.2493 -0.0202 0.0091 -0.0023 500 ILE A CA 944 C C . ILE A 122 ? 0.2492 0.2433 0.2679 -0.0054 0.0013 0.0130 500 ILE A C 945 O O . ILE A 122 ? 0.2977 0.3112 0.2592 -0.0389 0.0365 -0.0207 500 ILE A O 946 C CB . ILE A 122 ? 0.2323 0.2571 0.2683 -0.0227 -0.0167 0.0365 500 ILE A CB 947 C CG1 . ILE A 122 ? 0.2602 0.2906 0.2279 0.0059 0.0184 0.0457 500 ILE A CG1 948 C CG2 . ILE A 122 ? 0.2080 0.2723 0.2193 -0.0177 0.0224 0.0197 500 ILE A CG2 949 C CD1 . ILE A 122 ? 0.2559 0.2137 0.3050 -0.0026 -0.0116 0.0459 500 ILE A CD1 950 N N . ASN A 123 ? 0.2141 0.2069 0.2807 -0.0343 -0.0002 0.0057 501 ASN A N 951 C CA . ASN A 123 ? 0.2328 0.2369 0.2794 -0.0203 0.0086 0.0263 501 ASN A CA 952 C C . ASN A 123 ? 0.1998 0.2740 0.2587 -0.0064 0.0288 0.0021 501 ASN A C 953 O O . ASN A 123 ? 0.2185 0.3131 0.2706 0.0029 0.0391 0.0320 501 ASN A O 954 C CB . ASN A 123 ? 0.2627 0.2586 0.3967 0.0020 0.0642 0.0384 501 ASN A CB 955 C CG . ASN A 123 ? 0.3016 0.3055 0.3430 -0.0240 0.0107 0.0025 501 ASN A CG 956 O OD1 . ASN A 123 ? 0.2906 0.3947 0.4360 -0.0543 0.0153 0.0517 501 ASN A OD1 957 N ND2 . ASN A 123 ? 0.1848 0.2899 0.3415 -0.0792 0.0025 0.0204 501 ASN A ND2 958 N N . LYS A 124 ? 0.2355 0.1881 0.2800 0.0008 0.0005 -0.0055 502 LYS A N 959 C CA . LYS A 124 ? 0.2588 0.2837 0.2977 -0.0117 0.0148 0.0415 502 LYS A CA 960 C C . LYS A 124 ? 0.2543 0.2333 0.2651 -0.0168 0.0148 0.0341 502 LYS A C 961 O O . LYS A 124 ? 0.2563 0.2685 0.2912 -0.0341 0.0168 -0.0280 502 LYS A O 962 C CB . LYS A 124 ? 0.3138 0.3082 0.3662 0.0286 0.0126 0.0750 502 LYS A CB 963 C CG . LYS A 124 ? 0.4982 0.4320 0.4964 -0.0534 0.0661 0.1040 502 LYS A CG 964 C CD . LYS A 124 ? 0.6478 0.4527 0.6213 -0.0792 0.0333 0.0370 502 LYS A CD 965 C CE . LYS A 124 ? 0.4866 0.5423 0.6882 -0.0362 0.0341 0.0936 502 LYS A CE 966 N NZ . LYS A 124 ? 0.4307 0.6047 0.7359 -0.0340 0.1038 -0.0088 502 LYS A NZ 967 N N . CYS A 125 ? 0.2657 0.2894 0.2502 0.0022 0.0191 0.0639 503 CYS A N 968 C CA . CYS A 125 ? 0.2809 0.3113 0.3046 -0.0464 0.0296 -0.0222 503 CYS A CA 969 C C . CYS A 125 ? 0.3107 0.2706 0.2788 -0.0455 0.0200 -0.0369 503 CYS A C 970 O O . CYS A 125 ? 0.2884 0.2227 0.3056 -0.0384 0.0446 -0.0483 503 CYS A O 971 C CB . CYS A 125 ? 0.3637 0.3517 0.3183 -0.0075 -0.0075 -0.0284 503 CYS A CB 972 S SG . CYS A 125 ? 0.3657 0.5669 0.4153 -0.0664 0.0840 -0.0122 503 CYS A SG 973 N N . SER A 126 ? 0.2325 0.2306 0.2419 0.0089 -0.0319 -0.0194 504 SER A N 974 C CA . SER A 126 ? 0.2425 0.2696 0.2627 -0.0053 0.0193 -0.0210 504 SER A CA 975 C C . SER A 126 ? 0.2510 0.2902 0.2687 -0.0151 0.0239 -0.0250 504 SER A C 976 O O . SER A 126 ? 0.1644 0.3451 0.2723 -0.0812 0.0330 -0.0444 504 SER A O 977 C CB . SER A 126 ? 0.2122 0.3890 0.4101 -0.0022 -0.0002 0.0444 504 SER A CB 978 O OG . SER A 126 ? 0.5320 0.5908 0.5061 0.0655 -0.0497 0.0785 504 SER A OG 979 N N . ARG A 127 ? 0.3007 0.2769 0.2586 -0.0118 0.0470 -0.0200 505 ARG A N 980 C CA . ARG A 127 ? 0.3242 0.2955 0.3362 -0.0304 0.0572 0.0437 505 ARG A CA 981 C C . ARG A 127 ? 0.2612 0.2735 0.3189 0.0254 0.0144 -0.0035 505 ARG A C 982 O O . ARG A 127 ? 0.2546 0.2939 0.2971 -0.0008 0.0172 0.0261 505 ARG A O 983 C CB . ARG A 127 ? 0.3368 0.3485 0.4455 0.0523 0.0305 0.0262 505 ARG A CB 984 C CG . ARG A 127 ? 0.3268 0.5832 0.4798 -0.0331 -0.0423 0.0628 505 ARG A CG 985 C CD . ARG A 127 ? 0.4236 0.4792 0.5420 -0.1301 0.0816 -0.0231 505 ARG A CD 986 N NE . ARG A 127 ? 0.2870 0.3576 0.2899 -0.0090 0.0555 -0.0038 505 ARG A NE 987 C CZ . ARG A 127 ? 0.3518 0.3516 0.2795 -0.0221 0.0024 -0.0459 505 ARG A CZ 988 N NH1 . ARG A 127 ? 0.2821 0.3544 0.4423 -0.0189 -0.0388 -0.0656 505 ARG A NH1 989 N NH2 . ARG A 127 ? 0.3375 0.3191 0.3095 -0.0014 0.0368 -0.1051 505 ARG A NH2 990 N N . LEU A 128 ? 0.2506 0.2886 0.3336 -0.0091 0.0437 -0.0291 506 LEU A N 991 C CA . LEU A 128 ? 0.2607 0.2877 0.3457 0.0048 0.0437 -0.0058 506 LEU A CA 992 C C . LEU A 128 ? 0.2420 0.2371 0.2823 0.0104 0.0139 -0.0529 506 LEU A C 993 O O . LEU A 128 ? 0.0904 0.3135 0.3514 -0.0243 0.0592 -0.0306 506 LEU A O 994 C CB . LEU A 128 ? 0.2407 0.3200 0.3665 0.0233 0.0348 -0.0217 506 LEU A CB 995 C CG . LEU A 128 ? 0.3623 0.3489 0.4421 0.0588 -0.0223 -0.0321 506 LEU A CG 996 C CD1 . LEU A 128 ? 0.3364 0.3798 0.4650 -0.0279 -0.0136 -0.0955 506 LEU A CD1 997 C CD2 . LEU A 128 ? 0.4601 0.4049 0.5420 0.0903 0.0323 -0.0980 506 LEU A CD2 998 N N . LEU A 129 ? 0.2782 0.2123 0.3163 0.0000 0.0710 -0.0580 507 LEU A N 999 C CA . LEU A 129 ? 0.2515 0.2918 0.3345 -0.0173 0.0423 -0.0742 507 LEU A CA 1000 C C . LEU A 129 ? 0.2911 0.2863 0.3954 -0.0083 0.0694 -0.0543 507 LEU A C 1001 O O . LEU A 129 ? 0.2081 0.3388 0.4738 -0.0140 0.0809 -0.0594 507 LEU A O 1002 C CB . LEU A 129 ? 0.2500 0.2530 0.3134 -0.0224 0.0097 -0.0114 507 LEU A CB 1003 C CG . LEU A 129 ? 0.2993 0.2763 0.2834 0.0145 -0.0235 -0.0448 507 LEU A CG 1004 C CD1 . LEU A 129 ? 0.3081 0.2600 0.2760 -0.0331 -0.0203 -0.0152 507 LEU A CD1 1005 C CD2 . LEU A 129 ? 0.2176 0.2610 0.3301 0.0072 -0.0270 -0.0717 507 LEU A CD2 1006 N N . SER A 130 ? 0.2539 0.3440 0.3947 -0.0119 0.0138 -0.0274 508 SER A N 1007 C CA . SER A 130 ? 0.2723 0.3165 0.3595 -0.0148 0.0725 -0.0157 508 SER A CA 1008 C C . SER A 130 ? 0.2106 0.3582 0.3940 -0.0145 0.0836 -0.0139 508 SER A C 1009 O O . SER A 130 ? 0.3517 0.3352 0.5573 -0.0121 0.1393 -0.0315 508 SER A O 1010 C CB . SER A 130 ? 0.2804 0.2609 0.3279 -0.0293 0.0829 0.0288 508 SER A CB 1011 O OG . SER A 130 ? 0.2739 0.2708 0.3127 0.0011 0.1048 -0.0892 508 SER A OG 1012 N N . ASP A 131 ? 0.1895 0.4513 0.3897 -0.0041 0.1080 -0.0076 509 ASP A N 1013 C CA . ASP A 131 ? 0.3746 0.4394 0.4600 0.0308 0.0248 0.0097 509 ASP A CA 1014 C C . ASP A 131 ? 0.4099 0.4309 0.5498 0.0704 0.0647 0.0038 509 ASP A C 1015 O O . ASP A 131 ? 0.4170 0.3607 0.6514 0.0136 0.0391 0.0594 509 ASP A O 1016 C CB . ASP A 131 ? 0.4062 0.4674 0.4555 0.0430 0.0302 0.0051 509 ASP A CB 1017 C CG . ASP A 131 ? 0.3917 0.5162 0.4300 0.0200 -0.0255 0.0098 509 ASP A CG 1018 O OD1 . ASP A 131 ? 0.4084 0.5300 0.4489 -0.0013 -0.0327 0.0266 509 ASP A OD1 1019 O OD2 . ASP A 131 ? 0.3837 0.4107 0.4541 0.1035 -0.0933 0.0497 509 ASP A OD2 1020 N N . ASP A 132 ? 0.3798 0.4954 0.5195 0.0571 -0.0158 0.0015 510 ASP A N 1021 C CA . ASP A 132 ? 0.4984 0.5574 0.5863 0.0095 0.0746 -0.0425 510 ASP A CA 1022 C C . ASP A 132 ? 0.5048 0.4968 0.6442 -0.0649 0.0528 -0.0039 510 ASP A C 1023 O O . ASP A 132 ? 0.4917 0.6173 0.8836 -0.0631 0.1201 0.0291 510 ASP A O 1024 C CB . ASP A 132 ? 0.5225 0.5635 0.7015 0.0081 0.0582 -0.0951 510 ASP A CB 1025 C CG . ASP A 132 ? 0.6828 0.7364 0.6378 0.0076 0.0757 -0.0509 510 ASP A CG 1026 O OD1 . ASP A 132 ? 0.6997 0.7262 1.0230 0.1133 0.2264 0.0703 510 ASP A OD1 1027 O OD2 . ASP A 132 ? 0.6761 0.7127 0.8541 0.0245 0.3265 0.0070 510 ASP A OD2 1028 N N . ARG A 133 ? 0.5040 0.5181 0.6471 -0.0643 0.0423 -0.0090 511 ARG A N 1029 C CA . ARG A 133 ? 0.5427 0.5692 0.7339 -0.1033 0.0061 -0.0179 511 ARG A CA 1030 C C . ARG A 133 ? 0.5264 0.5701 0.7907 -0.0324 0.0967 -0.0243 511 ARG A C 1031 O O . ARG A 133 ? 0.5589 0.4609 1.0630 -0.0668 -0.0133 0.0165 511 ARG A O 1032 C CB . ARG A 133 ? 0.5017 0.6983 0.8183 -0.0306 -0.0293 0.0659 511 ARG A CB 1033 C CG . ARG A 133 ? 0.6992 0.7848 1.1754 0.1058 -0.0212 0.0351 511 ARG A CG 1034 C CD . ARG A 133 ? 1.0283 1.0537 1.2129 -0.0424 -0.0477 0.1373 511 ARG A CD 1035 N NE . ARG A 133 ? 1.2190 1.0631 1.6469 -0.0292 -0.0189 0.1990 511 ARG A NE 1036 C CZ . ARG A 133 ? 1.1355 1.0313 1.6055 0.0557 -0.1102 0.1800 511 ARG A CZ 1037 N NH1 . ARG A 133 ? 1.0568 1.0614 1.6781 -0.3440 0.0142 0.1444 511 ARG A NH1 1038 N NH2 . ARG A 133 ? 1.0670 1.1261 1.8020 0.1361 0.0883 0.1078 511 ARG A NH2 1039 N N . THR A 134 ? 0.4282 0.3531 0.5046 -0.0455 -0.0030 0.1014 512 THR A N 1040 C CA . THR A 134 ? 0.4288 0.4377 0.5035 -0.0260 -0.0168 0.0040 512 THR A CA 1041 C C . THR A 134 ? 0.3827 0.4060 0.4933 0.0257 0.0192 -0.0101 512 THR A C 1042 O O . THR A 134 ? 0.3850 0.3301 0.5651 0.0144 0.0036 -0.0310 512 THR A O 1043 C CB . THR A 134 ? 0.4576 0.5269 0.5372 -0.0521 0.0006 -0.0033 512 THR A CB 1044 O OG1 . THR A 134 ? 0.6333 0.5495 0.6681 0.0041 -0.1369 0.0430 512 THR A OG1 1045 C CG2 . THR A 134 ? 0.4108 0.5103 0.6098 -0.0674 -0.1176 0.0261 512 THR A CG2 1046 N N . GLU A 135 ? 0.3191 0.3275 0.5353 0.0921 -0.0401 0.0158 513 GLU A N 1047 C CA . GLU A 135 ? 0.3968 0.3774 0.4046 0.0677 0.0322 -0.0018 513 GLU A CA 1048 C C . GLU A 135 ? 0.3045 0.3105 0.3332 0.0012 0.0032 0.0380 513 GLU A C 1049 O O . GLU A 135 ? 0.3413 0.4491 0.3804 0.0422 -0.0621 -0.0073 513 GLU A O 1050 C CB . GLU A 135 ? 0.3634 0.5177 0.5285 0.0796 0.0518 -0.0559 513 GLU A CB 1051 C CG . GLU A 135 ? 0.4332 0.5282 0.5937 0.0953 0.0164 -0.0688 513 GLU A CG 1052 C CD . GLU A 135 ? 0.5615 0.5912 0.8132 0.0231 0.1204 0.0166 513 GLU A CD 1053 O OE1 . GLU A 135 ? 0.4941 0.5865 0.9793 0.0015 0.1304 -0.0621 513 GLU A OE1 1054 O OE2 . GLU A 135 ? 0.4014 0.7347 1.0524 0.0111 0.0812 -0.0680 513 GLU A OE2 1055 N N . VAL A 136 ? 0.2956 0.2864 0.3224 0.0356 0.0310 0.0153 514 VAL A N 1056 C CA . VAL A 136 ? 0.2737 0.2762 0.2836 -0.0181 0.0391 -0.0018 514 VAL A CA 1057 C C . VAL A 136 ? 0.2512 0.2702 0.2673 -0.0269 0.0428 -0.0274 514 VAL A C 1058 O O . VAL A 136 ? 0.2886 0.2773 0.2651 -0.0581 0.0593 0.0194 514 VAL A O 1059 C CB . VAL A 136 ? 0.2903 0.2474 0.3043 -0.0027 0.0898 0.0066 514 VAL A CB 1060 C CG1 . VAL A 136 ? 0.2095 0.2207 0.2462 -0.0541 0.0626 0.0158 514 VAL A CG1 1061 C CG2 . VAL A 136 ? 0.3149 0.2517 0.2844 0.0064 0.0827 0.0074 514 VAL A CG2 1062 N N . PRO A 137 ? 0.2881 0.3018 0.2981 -0.0406 -0.0057 -0.0219 515 PRO A N 1063 C CA . PRO A 137 ? 0.3114 0.2737 0.2813 -0.0124 -0.0023 -0.0144 515 PRO A CA 1064 C C . PRO A 137 ? 0.2724 0.3296 0.2854 -0.0409 -0.0098 -0.0139 515 PRO A C 1065 O O . PRO A 137 ? 0.2993 0.3897 0.3729 -0.0400 0.0261 -0.0538 515 PRO A O 1066 C CB . PRO A 137 ? 0.2787 0.3032 0.3702 -0.0849 -0.0337 0.0309 515 PRO A CB 1067 C CG . PRO A 137 ? 0.3336 0.4099 0.3167 -0.0996 -0.0551 0.0409 515 PRO A CG 1068 C CD . PRO A 137 ? 0.3393 0.3263 0.3190 -0.0617 -0.0369 -0.0358 515 PRO A CD 1069 N N . GLN A 138 ? 0.2209 0.2630 0.2715 -0.0717 0.0026 -0.0489 516 GLN A N 1070 C CA . GLN A 138 ? 0.3005 0.2747 0.3001 -0.0251 0.0156 -0.0179 516 GLN A CA 1071 C C . GLN A 138 ? 0.3794 0.2912 0.3393 -0.0392 0.0250 -0.0054 516 GLN A C 1072 O O . GLN A 138 ? 0.3352 0.2911 0.3832 -0.0199 0.0372 0.0100 516 GLN A O 1073 C CB . GLN A 138 ? 0.2879 0.3116 0.2725 -0.0757 0.0690 0.0023 516 GLN A CB 1074 C CG . GLN A 138 ? 0.3392 0.2702 0.2856 -0.0520 0.0454 -0.0360 516 GLN A CG 1075 C CD . GLN A 138 ? 0.2727 0.3354 0.3680 -0.0091 0.0206 0.0375 516 GLN A CD 1076 O OE1 . GLN A 138 ? 0.3659 0.2707 0.3375 -0.0544 0.0103 -0.0319 516 GLN A OE1 1077 N NE2 . GLN A 138 ? 0.1932 0.3188 0.3191 -0.0750 0.0237 0.0630 516 GLN A NE2 1078 N N . LEU A 139 ? 0.4357 0.2915 0.3463 -0.0025 -0.0346 -0.0223 517 LEU A N 1079 C CA . LEU A 139 ? 0.4152 0.3027 0.3233 -0.0382 -0.0263 0.0089 517 LEU A CA 1080 C C . LEU A 139 ? 0.3199 0.3029 0.3647 -0.0200 0.0189 -0.0058 517 LEU A C 1081 O O . LEU A 139 ? 0.3348 0.3102 0.4544 -0.0778 -0.0152 -0.0112 517 LEU A O 1082 C CB . LEU A 139 ? 0.3189 0.3387 0.3384 -0.0844 -0.0123 -0.0123 517 LEU A CB 1083 C CG . LEU A 139 ? 0.4119 0.4669 0.3707 0.0051 0.0299 0.0133 517 LEU A CG 1084 C CD1 . LEU A 139 ? 0.4965 0.6170 0.3701 -0.0905 0.1129 -0.0046 517 LEU A CD1 1085 C CD2 . LEU A 139 ? 0.3917 0.4609 0.3533 -0.0664 0.0554 0.0340 517 LEU A CD2 1086 N N . VAL A 140 ? 0.2816 0.2878 0.3166 0.0161 0.0173 -0.0045 518 VAL A N 1087 C CA . VAL A 140 ? 0.2665 0.2611 0.3287 -0.0042 0.0316 -0.0077 518 VAL A CA 1088 C C . VAL A 140 ? 0.2882 0.2727 0.3112 -0.0157 0.0156 -0.0385 518 VAL A C 1089 O O . VAL A 140 ? 0.2722 0.3330 0.2791 -0.0203 0.0485 -0.0441 518 VAL A O 1090 C CB . VAL A 140 ? 0.2611 0.2851 0.2559 0.0101 0.0170 -0.0300 518 VAL A CB 1091 C CG1 . VAL A 140 ? 0.2639 0.2171 0.2049 0.0071 0.0395 -0.0175 518 VAL A CG1 1092 C CG2 . VAL A 140 ? 0.2754 0.2869 0.2618 0.0269 -0.0322 -0.0817 518 VAL A CG2 1093 N N . ASN A 141 ? 0.2999 0.2085 0.4042 -0.0100 -0.0075 -0.0181 519 ASN A N 1094 C CA . ASN A 141 ? 0.3352 0.3259 0.4109 -0.0037 0.0920 -0.0201 519 ASN A CA 1095 C C . ASN A 141 ? 0.3409 0.3479 0.3748 -0.0235 0.0857 0.0010 519 ASN A C 1096 O O . ASN A 141 ? 0.3341 0.3467 0.3520 -0.0376 0.0566 -0.0470 519 ASN A O 1097 C CB . ASN A 141 ? 0.3221 0.3517 0.3849 -0.0168 0.0396 -0.0055 519 ASN A CB 1098 C CG . ASN A 141 ? 0.3556 0.3714 0.3920 -0.0533 0.0502 -0.0266 519 ASN A CG 1099 O OD1 . ASN A 141 ? 0.3031 0.3894 0.4192 0.0269 0.0539 -0.0079 519 ASN A OD1 1100 N ND2 . ASN A 141 ? 0.3087 0.2878 0.4044 -0.0610 0.1128 -0.0005 519 ASN A ND2 1101 N N . ALA A 142 ? 0.3238 0.3388 0.4533 0.0034 0.0513 -0.0216 520 ALA A N 1102 C CA . ALA A 142 ? 0.4241 0.3543 0.4487 0.0062 0.0508 -0.0226 520 ALA A CA 1103 C C . ALA A 142 ? 0.4574 0.3791 0.4423 -0.0024 0.0176 -0.0462 520 ALA A C 1104 O O . ALA A 142 ? 0.3951 0.3862 0.5797 0.0810 0.1366 -0.0309 520 ALA A O 1105 C CB . ALA A 142 ? 0.4418 0.3368 0.4124 -0.0746 0.0041 -0.0541 520 ALA A CB 1106 N N . ASN A 143 ? 0.4352 0.3377 0.4696 0.0574 0.0655 -0.0659 521 ASN A N 1107 C CA . ASN A 143 ? 0.5193 0.4147 0.4736 0.0647 0.0366 -0.0447 521 ASN A CA 1108 C C . ASN A 143 ? 0.4421 0.4394 0.5088 0.0279 0.0108 -0.0405 521 ASN A C 1109 O O . ASN A 143 ? 0.4571 0.6612 0.4800 0.1670 0.0561 0.0183 521 ASN A O 1110 C CB . ASN A 143 ? 0.4451 0.4483 0.4935 0.0065 0.0664 -0.0346 521 ASN A CB 1111 C CG . ASN A 143 ? 0.4804 0.4255 0.5277 0.0140 0.1544 -0.0467 521 ASN A CG 1112 O OD1 . ASN A 143 ? 0.6230 0.4819 0.4750 -0.0043 0.1831 0.0269 521 ASN A OD1 1113 N ND2 . ASN A 143 ? 0.5147 0.4543 0.4462 -0.0467 0.1152 0.0561 521 ASN A ND2 1114 N N . GLN A 144 ? 0.3990 0.3761 0.5307 -0.0274 0.0873 -0.0235 522 GLN A N 1115 C CA . GLN A 144 ? 0.3124 0.3618 0.5107 0.0266 0.0354 -0.0107 522 GLN A CA 1116 C C . GLN A 144 ? 0.3397 0.3594 0.3612 -0.0366 0.0803 -0.0438 522 GLN A C 1117 O O . GLN A 144 ? 0.3074 0.3125 0.3929 0.0208 0.0997 -0.0399 522 GLN A O 1118 C CB . GLN A 144 ? 0.3900 0.3904 0.5597 -0.0254 -0.0069 0.0511 522 GLN A CB 1119 C CG . GLN A 144 ? 0.5031 0.3290 0.6066 0.0008 0.1361 -0.0176 522 GLN A CG 1120 C CD . GLN A 144 ? 0.5383 0.5581 0.6975 0.0132 0.1997 0.0794 522 GLN A CD 1121 O OE1 . GLN A 144 ? 0.4948 0.4913 0.7316 -0.0840 0.0823 0.1174 522 GLN A OE1 1122 N NE2 . GLN A 144 ? 0.4622 0.5389 0.8459 0.0419 0.1852 0.1306 522 GLN A NE2 1123 N N . TYR A 145 ? 0.3149 0.4064 0.3321 -0.0259 0.0366 -0.0273 523 TYR A N 1124 C CA . TYR A 145 ? 0.3441 0.3270 0.3314 -0.0147 0.0213 -0.0010 523 TYR A CA 1125 C C . TYR A 145 ? 0.2783 0.2989 0.3088 -0.0113 0.0251 -0.0357 523 TYR A C 1126 O O . TYR A 145 ? 0.2277 0.3261 0.3474 -0.0437 0.0033 -0.0151 523 TYR A O 1127 C CB . TYR A 145 ? 0.2866 0.3595 0.3315 -0.0408 0.0058 0.0159 523 TYR A CB 1128 C CG . TYR A 145 ? 0.3777 0.3680 0.4212 -0.0093 -0.0146 0.0595 523 TYR A CG 1129 C CD1 . TYR A 145 ? 0.2883 0.3556 0.3566 0.0473 -0.0364 -0.0170 523 TYR A CD1 1130 C CD2 . TYR A 145 ? 0.3606 0.4592 0.5086 -0.0601 -0.0760 0.0240 523 TYR A CD2 1131 C CE1 . TYR A 145 ? 0.2953 0.3410 0.4085 -0.0527 0.0059 -0.0112 523 TYR A CE1 1132 C CE2 . TYR A 145 ? 0.4519 0.5009 0.5176 -0.0702 -0.0728 0.0571 523 TYR A CE2 1133 C CZ . TYR A 145 ? 0.4407 0.4602 0.5256 -0.0504 -0.0902 0.0804 523 TYR A CZ 1134 O OH . TYR A 145 ? 0.4460 0.5802 0.5628 -0.2334 -0.1543 0.1467 523 TYR A OH 1135 N N . SER A 146 ? 0.2957 0.2986 0.3613 0.0140 -0.0038 -0.0597 524 SER A N 1136 C CA . SER A 146 ? 0.2612 0.3277 0.3452 -0.0037 -0.0069 0.0042 524 SER A CA 1137 C C . SER A 146 ? 0.2442 0.3199 0.3223 0.0195 0.0164 -0.0096 524 SER A C 1138 O O . SER A 146 ? 0.2239 0.3599 0.3734 -0.0146 -0.0961 -0.0104 524 SER A O 1139 C CB . SER A 146 ? 0.2882 0.2944 0.3846 0.0198 -0.0355 -0.0602 524 SER A CB 1140 O OG . SER A 146 ? 0.2737 0.3624 0.3889 0.0931 0.0557 -0.0123 524 SER A OG 1141 N N . PRO A 147 ? 0.3190 0.3456 0.3974 -0.0078 -0.0092 0.0392 525 PRO A N 1142 C CA . PRO A 147 ? 0.4107 0.4224 0.3903 -0.0297 0.0013 -0.0252 525 PRO A CA 1143 C C . PRO A 147 ? 0.3632 0.4903 0.4717 0.0175 -0.0180 -0.0432 525 PRO A C 1144 O O . PRO A 147 ? 0.2581 0.4825 0.5495 -0.0219 -0.0023 -0.0644 525 PRO A O 1145 C CB . PRO A 147 ? 0.4612 0.4508 0.4669 -0.0502 -0.0402 0.0611 525 PRO A CB 1146 C CG . PRO A 147 ? 0.3988 0.4077 0.4492 -0.0371 -0.0057 0.0612 525 PRO A CG 1147 C CD . PRO A 147 ? 0.4545 0.3546 0.3820 0.0121 0.0904 0.0168 525 PRO A CD 1148 N N . CYS A 148 ? 0.3319 0.3216 0.4414 -0.0452 0.0061 -0.0008 526 CYS A N 1149 C CA . CYS A 148 ? 0.3306 0.3913 0.3443 -0.0414 -0.0102 0.0126 526 CYS A CA 1150 C C . CYS A 148 ? 0.2645 0.3283 0.3011 -0.0168 -0.0489 -0.0351 526 CYS A C 1151 O O . CYS A 148 ? 0.3060 0.3137 0.3387 0.0123 0.0022 -0.0159 526 CYS A O 1152 C CB . CYS A 148 ? 0.3689 0.4361 0.3772 0.0789 -0.0060 0.0000 526 CYS A CB 1153 S SG . CYS A 148 ? 0.3685 0.4093 0.5106 -0.0464 0.0520 -0.0300 526 CYS A SG 1154 N N . VAL A 149 ? 0.2237 0.3283 0.3296 -0.0363 -0.0615 -0.0202 527 VAL A N 1155 C CA . VAL A 149 ? 0.2733 0.3517 0.3677 -0.0017 0.0195 -0.0191 527 VAL A CA 1156 C C . VAL A 149 ? 0.3359 0.3844 0.3539 -0.0017 -0.0065 0.0002 527 VAL A C 1157 O O . VAL A 149 ? 0.4463 0.4966 0.3746 0.0116 0.0538 0.0755 527 VAL A O 1158 C CB . VAL A 149 ? 0.3253 0.3383 0.4036 -0.0190 0.0171 -0.0783 527 VAL A CB 1159 C CG1 . VAL A 149 ? 0.4167 0.3035 0.3297 -0.0613 0.0346 -0.0418 527 VAL A CG1 1160 C CG2 . VAL A 149 ? 0.3341 0.3402 0.4246 0.0128 -0.0309 -0.1245 527 VAL A CG2 1161 N N . SER A 150 ? 0.2726 0.4258 0.5001 -0.0136 0.0355 -0.0522 528 SER A N 1162 C CA . SER A 150 ? 0.4151 0.4328 0.4586 -0.0292 0.0322 -0.0730 528 SER A CA 1163 C C . SER A 150 ? 0.3703 0.4900 0.3977 -0.0022 0.0200 -0.0565 528 SER A C 1164 O O . SER A 150 ? 0.3727 0.5619 0.4599 -0.0262 0.0144 -0.1159 528 SER A O 1165 C CB . SER A 150 ? 0.3699 0.5384 0.4411 -0.0317 0.0025 -0.0826 528 SER A CB 1166 O OG . SER A 150 ? 0.3939 0.4723 0.5120 -0.0996 0.1321 -0.0245 528 SER A OG 1167 N N . ILE A 151 ? 0.3728 0.4006 0.4626 -0.0015 0.0157 -0.0181 529 ILE A N 1168 C CA . ILE A 151 ? 0.3183 0.3909 0.4317 -0.0198 -0.0166 -0.0115 529 ILE A CA 1169 C C . ILE A 151 ? 0.3437 0.3458 0.4019 -0.0101 0.0376 -0.0530 529 ILE A C 1170 O O . ILE A 151 ? 0.2672 0.3864 0.4304 -0.0383 0.0015 -0.1188 529 ILE A O 1171 C CB . ILE A 151 ? 0.3284 0.3867 0.3908 -0.0121 0.0374 -0.0265 529 ILE A CB 1172 C CG1 . ILE A 151 ? 0.3105 0.3614 0.3865 -0.0437 0.0146 0.0105 529 ILE A CG1 1173 C CG2 . ILE A 151 ? 0.4138 0.4056 0.4501 -0.1042 0.0424 -0.0889 529 ILE A CG2 1174 C CD1 . ILE A 151 ? 0.1882 0.3921 0.3887 0.0255 0.0524 0.0215 529 ILE A CD1 1175 N N . VAL A 152 ? 0.3161 0.3665 0.3347 -0.0526 0.0085 -0.0400 530 VAL A N 1176 C CA . VAL A 152 ? 0.3105 0.3113 0.3199 -0.0302 0.0071 -0.0532 530 VAL A CA 1177 C C . VAL A 152 ? 0.3151 0.3116 0.2932 -0.0010 -0.0119 -0.0656 530 VAL A C 1178 O O . VAL A 152 ? 0.2914 0.3409 0.3484 0.0056 -0.0110 -0.0712 530 VAL A O 1179 C CB . VAL A 152 ? 0.2767 0.3751 0.3097 -0.0549 -0.0356 -0.0212 530 VAL A CB 1180 C CG1 . VAL A 152 ? 0.2691 0.2898 0.3266 -0.0195 0.0238 -0.0509 530 VAL A CG1 1181 C CG2 . VAL A 152 ? 0.1708 0.3094 0.3335 -0.0214 -0.0359 -0.0271 530 VAL A CG2 1182 N N . PRO A 153 ? 0.2742 0.3407 0.3622 -0.0116 0.0263 -0.0264 531 PRO A N 1183 C CA . PRO A 153 ? 0.2922 0.3394 0.3711 0.0379 -0.0058 -0.0082 531 PRO A CA 1184 C C . PRO A 153 ? 0.3484 0.3579 0.3287 0.0318 -0.0053 0.0032 531 PRO A C 1185 O O . PRO A 153 ? 0.2900 0.3151 0.3393 -0.0087 0.0021 -0.0295 531 PRO A O 1186 C CB . PRO A 153 ? 0.3061 0.3866 0.3533 0.0411 0.0258 0.0299 531 PRO A CB 1187 C CG . PRO A 153 ? 0.2989 0.3001 0.4107 0.0952 0.0750 0.0282 531 PRO A CG 1188 C CD . PRO A 153 ? 0.3369 0.3430 0.2989 0.0364 0.0109 -0.0219 531 PRO A CD 1189 N N . SER A 154 ? 0.2586 0.3469 0.3271 0.0373 0.0625 0.0195 532 SER A N 1190 C CA . SER A 154 ? 0.3137 0.3659 0.3185 -0.0080 0.0211 -0.0039 532 SER A CA 1191 C C . SER A 154 ? 0.3131 0.3147 0.3461 0.0253 0.0029 -0.0227 532 SER A C 1192 O O . SER A 154 ? 0.3302 0.2909 0.3797 -0.0005 -0.0401 0.0057 532 SER A O 1193 C CB . SER A 154 ? 0.4663 0.3920 0.3577 0.0171 -0.0487 -0.0102 532 SER A CB 1194 O OG . SER A 154 ? 0.5295 0.5187 0.4021 0.0117 -0.0649 -0.0757 532 SER A OG 1195 N N . THR A 155 ? 0.3382 0.3313 0.2661 0.0050 0.0087 -0.0761 533 THR A N 1196 C CA . THR A 155 ? 0.3358 0.3390 0.3782 0.0048 0.0225 -0.0165 533 THR A CA 1197 C C . THR A 155 ? 0.3558 0.3483 0.3323 -0.0006 0.0180 0.0023 533 THR A C 1198 O O . THR A 155 ? 0.3950 0.2319 0.4664 0.0138 -0.0182 0.0298 533 THR A O 1199 C CB . THR A 155 ? 0.3847 0.4373 0.4254 -0.0084 0.0406 0.1022 533 THR A CB 1200 O OG1 . THR A 155 ? 0.5153 0.4592 0.5596 0.0558 0.0655 0.0782 533 THR A OG1 1201 C CG2 . THR A 155 ? 0.4107 0.4775 0.4693 -0.0256 0.0637 0.0824 533 THR A CG2 1202 N N . VAL A 156 ? 0.3208 0.3055 0.2904 0.0118 0.0498 -0.0595 534 VAL A N 1203 C CA . VAL A 156 ? 0.2672 0.3078 0.3051 0.0120 0.0290 -0.0475 534 VAL A CA 1204 C C . VAL A 156 ? 0.2949 0.3110 0.3453 -0.0168 0.0575 -0.0781 534 VAL A C 1205 O O . VAL A 156 ? 0.3324 0.3151 0.2785 -0.0409 0.0810 -0.1216 534 VAL A O 1206 C CB . VAL A 156 ? 0.2212 0.2709 0.3076 -0.0003 0.0226 -0.0665 534 VAL A CB 1207 C CG1 . VAL A 156 ? 0.1074 0.2188 0.3248 -0.0364 0.0770 -0.1143 534 VAL A CG1 1208 C CG2 . VAL A 156 ? 0.2562 0.2399 0.2425 -0.0021 0.0173 -0.0659 534 VAL A CG2 1209 N N . TRP A 157 ? 0.2627 0.3280 0.2531 -0.0319 -0.0086 -0.0528 535 TRP A N 1210 C CA . TRP A 157 ? 0.2840 0.3068 0.3124 0.0058 0.0150 -0.0484 535 TRP A CA 1211 C C . TRP A 157 ? 0.2843 0.3005 0.2911 -0.0145 0.0230 -0.0494 535 TRP A C 1212 O O . TRP A 157 ? 0.2984 0.3057 0.3838 0.0050 0.1091 -0.1091 535 TRP A O 1213 C CB . TRP A 157 ? 0.2580 0.3432 0.2943 -0.0318 -0.0184 -0.0200 535 TRP A CB 1214 C CG . TRP A 157 ? 0.3289 0.3488 0.3428 -0.0433 -0.0016 -0.0702 535 TRP A CG 1215 C CD1 . TRP A 157 ? 0.3175 0.3479 0.3408 -0.0493 -0.0643 -0.0071 535 TRP A CD1 1216 C CD2 . TRP A 157 ? 0.3733 0.3479 0.3082 -0.0860 -0.0493 -0.0636 535 TRP A CD2 1217 N NE1 . TRP A 157 ? 0.3162 0.3515 0.3415 -0.0691 -0.0730 -0.0753 535 TRP A NE1 1218 C CE2 . TRP A 157 ? 0.3706 0.3661 0.3445 -0.0703 -0.0288 -0.0288 535 TRP A CE2 1219 C CE3 . TRP A 157 ? 0.3501 0.3754 0.3426 -0.0957 -0.0664 -0.0678 535 TRP A CE3 1220 C CZ2 . TRP A 157 ? 0.4501 0.3167 0.3957 -0.0850 0.0571 -0.0447 535 TRP A CZ2 1221 C CZ3 . TRP A 157 ? 0.3748 0.4094 0.4183 -0.0687 0.0228 -0.0180 535 TRP A CZ3 1222 C CH2 . TRP A 157 ? 0.4149 0.4400 0.3049 -0.0709 0.0175 -0.0400 535 TRP A CH2 1223 N N . GLU A 158 ? 0.3178 0.2268 0.2982 0.0310 0.0138 -0.0721 536 GLU A N 1224 C CA . GLU A 158 ? 0.3121 0.2845 0.3153 0.0273 0.0034 -0.0507 536 GLU A CA 1225 C C . GLU A 158 ? 0.3020 0.2594 0.3421 0.0036 0.0268 -0.0710 536 GLU A C 1226 O O . GLU A 158 ? 0.2378 0.2620 0.3655 0.0194 0.0162 -0.0730 536 GLU A O 1227 C CB . GLU A 158 ? 0.3694 0.2646 0.4420 0.0034 0.0255 -0.0387 536 GLU A CB 1228 C CG . GLU A 158 ? 0.3820 0.3730 0.4919 0.0099 -0.0187 -0.0506 536 GLU A CG 1229 C CD . GLU A 158 ? 0.4892 0.4359 0.7250 0.0289 0.0150 -0.1529 536 GLU A CD 1230 O OE1 . GLU A 158 ? 0.4766 0.5237 0.8950 0.1204 -0.1190 -0.1697 536 GLU A OE1 1231 O OE2 . GLU A 158 ? 0.4381 0.3495 0.5816 0.0773 -0.0206 -0.0407 536 GLU A OE2 1232 N N . ASP A 159 ? 0.2534 0.2902 0.3497 0.0080 0.0106 -0.0370 537 ASP A N 1233 C CA . ASP A 159 ? 0.3204 0.3052 0.3400 -0.0214 -0.0277 -0.0104 537 ASP A CA 1234 C C . ASP A 159 ? 0.2883 0.3000 0.4095 -0.0412 0.0249 -0.0310 537 ASP A C 1235 O O . ASP A 159 ? 0.1599 0.2813 0.4020 -0.0612 -0.0066 -0.0023 537 ASP A O 1236 C CB . ASP A 159 ? 0.2748 0.2281 0.3699 -0.0055 0.0287 -0.0043 537 ASP A CB 1237 C CG . ASP A 159 ? 0.3465 0.2913 0.3951 -0.0281 -0.0054 -0.0119 537 ASP A CG 1238 O OD1 . ASP A 159 ? 0.3651 0.3822 0.4376 0.0118 0.0225 -0.0052 537 ASP A OD1 1239 O OD2 . ASP A 159 ? 0.5702 0.4093 0.5135 0.1180 -0.0773 -0.0544 537 ASP A OD2 1240 N N . GLY A 160 ? 0.3392 0.3589 0.3243 -0.0904 -0.0046 -0.0333 538 GLY A N 1241 C CA . GLY A 160 ? 0.2733 0.2983 0.3306 -0.0076 0.0154 -0.0256 538 GLY A CA 1242 C C . GLY A 160 ? 0.3072 0.3100 0.2943 -0.0173 0.0067 -0.0032 538 GLY A C 1243 O O . GLY A 160 ? 0.3389 0.2612 0.4136 -0.0141 0.0024 -0.0151 538 GLY A O 1244 N N . ASP A 161 ? 0.2337 0.2685 0.3123 -0.0055 0.0227 -0.0001 539 ASP A N 1245 C CA . ASP A 161 ? 0.2504 0.2637 0.2731 0.0177 0.0192 -0.0355 539 ASP A CA 1246 C C . ASP A 161 ? 0.2781 0.2806 0.3368 -0.0230 0.0459 -0.0203 539 ASP A C 1247 O O . ASP A 161 ? 0.2924 0.3026 0.2773 -0.0446 0.0889 -0.0214 539 ASP A O 1248 C CB . ASP A 161 ? 0.2609 0.2494 0.2731 -0.0500 -0.0125 -0.0319 539 ASP A CB 1249 C CG . ASP A 161 ? 0.2872 0.2854 0.3100 -0.0159 0.0222 0.0077 539 ASP A CG 1250 O OD1 . ASP A 161 ? 0.3105 0.3048 0.4107 0.0033 0.0022 -0.0013 539 ASP A OD1 1251 O OD2 . ASP A 161 ? 0.3453 0.2843 0.2837 -0.0797 0.0065 0.0112 539 ASP A OD2 1252 N N A TYR A 162 ? 0.3065 0.2750 0.3555 -0.0289 0.0085 -0.0099 540 TYR A N 1253 N N B TYR A 162 ? 0.3138 0.2714 0.3536 -0.0279 0.0021 -0.0076 540 TYR A N 1254 C CA A TYR A 162 ? 0.2944 0.3175 0.3515 0.0115 0.0144 -0.0521 540 TYR A CA 1255 C CA B TYR A 162 ? 0.2883 0.3127 0.3584 0.0151 0.0210 -0.0563 540 TYR A CA 1256 C C A TYR A 162 ? 0.2920 0.3343 0.3339 0.0009 0.0307 -0.0517 540 TYR A C 1257 C C B TYR A 162 ? 0.2926 0.3341 0.3325 0.0030 0.0315 -0.0512 540 TYR A C 1258 O O A TYR A 162 ? 0.2618 0.4052 0.3226 -0.0541 0.0837 -0.0588 540 TYR A O 1259 O O B TYR A 162 ? 0.2566 0.4042 0.3222 -0.0602 0.0886 -0.0552 540 TYR A O 1260 C CB A TYR A 162 ? 0.2594 0.4613 0.3141 -0.0081 0.0668 -0.0006 540 TYR A CB 1261 C CB B TYR A 162 ? 0.2990 0.3895 0.3451 0.0368 0.0629 0.0204 540 TYR A CB 1262 C CG A TYR A 162 ? 0.4483 0.4958 0.3818 0.0567 -0.0250 -0.0060 540 TYR A CG 1263 C CG B TYR A 162 ? 0.4044 0.3982 0.3742 0.1149 0.0016 0.0028 540 TYR A CG 1264 C CD1 A TYR A 162 ? 0.4231 0.6978 0.4059 -0.0217 -0.0369 0.0276 540 TYR A CD1 1265 C CD1 B TYR A 162 ? 0.4431 0.4762 0.4996 0.0250 0.0216 0.0031 540 TYR A CD1 1266 C CD2 A TYR A 162 ? 0.4562 0.6541 0.4594 0.0401 0.0342 0.0089 540 TYR A CD2 1267 C CD2 B TYR A 162 ? 0.4222 0.4280 0.4462 0.1113 0.0173 0.0838 540 TYR A CD2 1268 C CE1 A TYR A 162 ? 0.5485 0.6714 0.3946 -0.0143 -0.0134 0.0996 540 TYR A CE1 1269 C CE1 B TYR A 162 ? 0.5391 0.5366 0.5069 0.0732 -0.0054 0.0139 540 TYR A CE1 1270 C CE2 A TYR A 162 ? 0.4828 0.6630 0.4553 0.0772 -0.0067 -0.0183 540 TYR A CE2 1271 C CE2 B TYR A 162 ? 0.4447 0.4704 0.4541 0.1320 0.0096 0.0230 540 TYR A CE2 1272 C CZ A TYR A 162 ? 0.5560 0.6768 0.4569 0.0303 -0.0059 0.1054 540 TYR A CZ 1273 C CZ B TYR A 162 ? 0.5392 0.4095 0.4599 0.0761 -0.0730 0.1699 540 TYR A CZ 1274 O OH A TYR A 162 ? 0.6318 0.7242 0.5806 -0.0252 -0.0158 0.0179 540 TYR A OH 1275 O OH B TYR A 162 ? 0.8068 0.4918 0.4699 0.1407 -0.0590 0.1438 540 TYR A OH 1276 N N . TYR A 163 ? 0.3020 0.2674 0.2820 -0.0128 0.0317 -0.0644 541 TYR A N 1277 C CA . TYR A 163 ? 0.2815 0.2681 0.3139 -0.0345 0.0275 -0.0276 541 TYR A CA 1278 C C . TYR A 163 ? 0.2969 0.3224 0.3163 -0.0383 0.0233 -0.0239 541 TYR A C 1279 O O . TYR A 163 ? 0.3042 0.3697 0.3443 -0.1035 -0.0142 -0.0836 541 TYR A O 1280 C CB . TYR A 163 ? 0.2443 0.2893 0.2870 -0.0073 0.0372 -0.0139 541 TYR A CB 1281 C CG . TYR A 163 ? 0.2758 0.2659 0.3278 -0.0217 0.0166 -0.0148 541 TYR A CG 1282 C CD1 . TYR A 163 ? 0.2878 0.2695 0.3213 0.0000 0.0060 -0.0074 541 TYR A CD1 1283 C CD2 . TYR A 163 ? 0.3111 0.2967 0.3225 -0.0088 0.0556 -0.1013 541 TYR A CD2 1284 C CE1 . TYR A 163 ? 0.3042 0.2330 0.3768 -0.0036 0.0152 -0.0406 541 TYR A CE1 1285 C CE2 . TYR A 163 ? 0.2945 0.3116 0.3028 -0.0098 -0.0042 -0.0466 541 TYR A CE2 1286 C CZ . TYR A 163 ? 0.3046 0.2994 0.3185 0.0156 0.0022 -0.0152 541 TYR A CZ 1287 O OH . TYR A 163 ? 0.2856 0.2442 0.3334 0.0326 -0.0064 -0.0608 541 TYR A OH 1288 N N . ARG A 164 ? 0.2899 0.2903 0.3405 -0.0269 0.0307 -0.0509 542 ARG A N 1289 C CA . ARG A 164 ? 0.2766 0.3008 0.3313 -0.0031 0.0223 -0.0403 542 ARG A CA 1290 C C . ARG A 164 ? 0.2895 0.4269 0.3236 -0.0179 0.0176 -0.0280 542 ARG A C 1291 O O . ARG A 164 ? 0.1648 0.4533 0.3199 0.0185 0.0457 -0.0468 542 ARG A O 1292 C CB . ARG A 164 ? 0.2957 0.3117 0.2495 -0.0012 0.0332 -0.0294 542 ARG A CB 1293 C CG . ARG A 164 ? 0.3484 0.3086 0.2444 0.0062 -0.0188 -0.0685 542 ARG A CG 1294 C CD . ARG A 164 ? 0.3072 0.3594 0.2838 0.0030 0.0307 -0.0056 542 ARG A CD 1295 N NE . ARG A 164 ? 0.3624 0.3317 0.2453 0.0015 -0.0086 -0.0630 542 ARG A NE 1296 C CZ . ARG A 164 ? 0.3299 0.4916 0.3867 0.0440 -0.0229 -0.0681 542 ARG A CZ 1297 N NH1 . ARG A 164 ? 0.3286 0.4486 0.4264 0.0572 0.0390 -0.1157 542 ARG A NH1 1298 N NH2 . ARG A 164 ? 0.4055 0.5754 0.4308 0.1324 -0.0744 -0.0094 542 ARG A NH2 1299 N N . LYS A 165 ? 0.3182 0.3998 0.3022 0.0036 0.0404 -0.0367 543 LYS A N 1300 C CA . LYS A 165 ? 0.3537 0.3783 0.2667 -0.0564 0.0046 0.0019 543 LYS A CA 1301 C C . LYS A 165 ? 0.3593 0.3942 0.3252 -0.0858 0.0591 -0.0562 543 LYS A C 1302 O O . LYS A 165 ? 0.2674 0.3306 0.3003 -0.0990 0.0652 -0.0144 543 LYS A O 1303 C CB . LYS A 165 ? 0.3852 0.3902 0.2833 -0.0536 0.0098 0.0776 543 LYS A CB 1304 C CG . LYS A 165 ? 0.3354 0.4816 0.4474 -0.0017 0.0424 0.0721 543 LYS A CG 1305 C CD . LYS A 165 ? 0.4421 0.4669 0.5061 0.0101 0.0582 0.0971 543 LYS A CD 1306 C CE . LYS A 165 ? 0.5157 0.5743 0.6846 0.0834 -0.0269 0.0606 543 LYS A CE 1307 N NZ . LYS A 165 ? 0.5398 0.6227 0.8164 0.1519 -0.0916 0.1372 543 LYS A NZ 1308 N N . GLN A 166 ? 0.2938 0.2865 0.4223 -0.0071 0.0606 -0.0835 544 GLN A N 1309 C CA . GLN A 166 ? 0.3439 0.3477 0.3614 -0.0109 0.0834 -0.0582 544 GLN A CA 1310 C C . GLN A 166 ? 0.2959 0.3636 0.3804 -0.0378 0.0421 -0.0374 544 GLN A C 1311 O O . GLN A 166 ? 0.2940 0.4660 0.3599 0.0449 0.0532 -0.0771 544 GLN A O 1312 C CB . GLN A 166 ? 0.4367 0.3921 0.4981 -0.0900 0.0583 -0.0981 544 GLN A CB 1313 C CG . GLN A 166 ? 0.6407 0.4825 0.6470 -0.1355 -0.0106 0.0216 544 GLN A CG 1314 C CD . GLN A 166 ? 0.7836 0.5479 0.6901 -0.1112 -0.0980 -0.0430 544 GLN A CD 1315 O OE1 . GLN A 166 ? 0.7501 0.5833 0.7834 -0.1180 -0.3509 -0.2053 544 GLN A OE1 1316 N NE2 . GLN A 166 ? 0.5417 0.6088 0.8163 -0.2062 -0.2303 0.0418 544 GLN A NE2 1317 N N . LEU A 167 ? 0.3170 0.3915 0.4285 -0.0740 0.0744 -0.0798 545 LEU A N 1318 C CA . LEU A 167 ? 0.3573 0.4338 0.4026 -0.0189 0.0281 -0.0693 545 LEU A CA 1319 C C . LEU A 167 ? 0.3811 0.4010 0.3512 -0.0222 0.0124 -0.0224 545 LEU A C 1320 O O . LEU A 167 ? 0.2785 0.4136 0.3423 -0.0650 0.0109 -0.0099 545 LEU A O 1321 C CB . LEU A 167 ? 0.3805 0.2986 0.3758 -0.0325 0.0244 -0.0204 545 LEU A CB 1322 C CG . LEU A 167 ? 0.3822 0.4205 0.3550 -0.0667 0.0055 0.0174 545 LEU A CG 1323 C CD1 . LEU A 167 ? 0.3073 0.3574 0.3624 -0.0702 -0.0068 0.0013 545 LEU A CD1 1324 C CD2 . LEU A 167 ? 0.2808 0.4202 0.3815 -0.0149 0.0459 0.0475 545 LEU A CD2 1325 N N . SER A 168 ? 0.4274 0.5059 0.3523 0.0048 0.0002 0.0083 546 SER A N 1326 C CA . SER A 168 ? 0.4500 0.5109 0.4336 -0.0051 -0.0285 0.0178 546 SER A CA 1327 C C . SER A 168 ? 0.4924 0.5171 0.5080 -0.0110 0.0399 -0.0400 546 SER A C 1328 O O . SER A 168 ? 0.3912 0.6143 0.4984 0.0128 0.0217 -0.0760 546 SER A O 1329 C CB . SER A 168 ? 0.3871 0.5283 0.5437 0.0760 -0.0326 -0.0177 546 SER A CB 1330 O OG . SER A 168 ? 0.4643 0.6003 0.5290 0.1271 -0.1218 -0.0734 546 SER A OG 1331 N N . PRO A 169 ? 0.5378 0.6261 0.5759 -0.0883 0.0362 -0.0683 547 PRO A N 1332 C CA . PRO A 169 ? 0.5074 0.6453 0.6125 -0.0745 0.0945 -0.0980 547 PRO A CA 1333 C C . PRO A 169 ? 0.4893 0.7136 0.5860 0.0082 0.1157 -0.0367 547 PRO A C 1334 O O . PRO A 169 ? 0.4754 0.9449 0.5842 -0.1338 0.4404 -0.1589 547 PRO A O 1335 C CB . PRO A 169 ? 0.4798 0.7031 0.6045 -0.0605 0.0371 -0.1316 547 PRO A CB 1336 C CG . PRO A 169 ? 0.4738 0.6301 0.6080 -0.1418 0.0465 -0.1281 547 PRO A CG 1337 C CD . PRO A 169 ? 0.6109 0.5465 0.6521 -0.1241 0.0784 -0.0775 547 PRO A CD 1338 N N . LEU A 170 ? 0.4800 0.8204 0.5596 0.0553 0.0776 -0.0160 548 LEU A N 1339 C CA . LEU A 170 ? 0.6164 0.7495 0.7382 0.0042 0.0873 0.0127 548 LEU A CA 1340 C C . LEU A 170 ? 0.6387 0.8535 0.6914 0.0767 -0.0209 -0.0663 548 LEU A C 1341 O O . LEU A 170 ? 0.6885 0.9358 0.7572 0.2365 -0.0647 -0.0953 548 LEU A O 1342 C CB . LEU A 170 ? 0.7657 1.0356 0.7477 0.0963 0.0369 -0.0139 548 LEU A CB 1343 C CG . LEU A 170 ? 0.7831 1.0497 0.8853 0.1318 -0.0474 -0.0723 548 LEU A CG 1344 C CD1 . LEU A 170 ? 0.7986 1.1063 0.8610 0.1794 0.0683 -0.2048 548 LEU A CD1 1345 C CD2 . LEU A 170 ? 0.4014 1.0588 1.0818 0.0658 -0.0438 -0.0597 548 LEU A CD2 1346 N N . GLU A 171 ? 0.6172 0.8143 0.5897 0.0019 -0.0129 -0.0221 549 GLU A N 1347 C CA . GLU A 171 ? 0.5963 0.5724 0.5153 0.0339 -0.0201 0.0137 549 GLU A CA 1348 C C . GLU A 171 ? 0.5157 0.4133 0.4830 -0.0163 0.0027 -0.0378 549 GLU A C 1349 O O . GLU A 171 ? 0.4644 0.4185 0.4521 0.0424 0.0209 -0.1241 549 GLU A O 1350 C CB . GLU A 171 ? 0.6005 0.7551 0.4709 -0.0699 -0.0546 -0.1148 549 GLU A CB 1351 C CG . GLU A 171 ? 0.6527 0.7178 0.6454 0.0406 -0.0304 0.0017 549 GLU A CG 1352 C CD . GLU A 171 ? 0.5349 0.7122 0.6584 -0.0418 -0.0034 0.0454 549 GLU A CD 1353 O OE1 . GLU A 171 ? 0.4798 0.7389 0.6781 -0.0648 0.0092 -0.1269 549 GLU A OE1 1354 O OE2 . GLU A 171 ? 0.8221 0.9251 0.7708 -0.0592 0.0996 0.1505 549 GLU A OE2 1355 N N . GLY A 172 ? 0.3011 0.4859 0.3717 0.0412 0.0520 -0.0311 550 GLY A N 1356 C CA . GLY A 172 ? 0.3348 0.3799 0.3681 0.0477 0.0797 -0.0274 550 GLY A CA 1357 C C . GLY A 172 ? 0.2540 0.3786 0.3501 0.0174 0.0034 -0.0136 550 GLY A C 1358 O O . GLY A 172 ? 0.1991 0.4115 0.3761 -0.0276 0.0291 0.0290 550 GLY A O 1359 N N . GLY A 173 ? 0.2000 0.3764 0.3558 0.0189 0.0157 -0.0326 551 GLY A N 1360 C CA . GLY A 173 ? 0.2632 0.2704 0.3709 -0.0397 -0.0424 -0.0726 551 GLY A CA 1361 C C . GLY A 173 ? 0.2584 0.2697 0.3756 -0.0051 0.0365 -0.0553 551 GLY A C 1362 O O . GLY A 173 ? 0.2313 0.2902 0.2982 -0.0510 0.0653 -0.0845 551 GLY A O 1363 N N . GLY A 174 ? 0.2740 0.2365 0.3309 -0.0179 0.0483 -0.0857 552 GLY A N 1364 C CA . GLY A 174 ? 0.2549 0.2255 0.2995 -0.0050 0.0885 -0.0999 552 GLY A CA 1365 C C . GLY A 174 ? 0.2617 0.3184 0.2994 0.0052 0.0478 -0.0267 552 GLY A C 1366 O O . GLY A 174 ? 0.3057 0.3108 0.2853 -0.0602 0.0569 -0.0983 552 GLY A O 1367 N N . TRP A 175 ? 0.2906 0.2619 0.2617 -0.0384 0.0616 -0.0744 553 TRP A N 1368 C CA . TRP A 175 ? 0.2926 0.2782 0.3186 -0.0376 0.0539 -0.0251 553 TRP A CA 1369 C C . TRP A 175 ? 0.2550 0.2979 0.3117 -0.0302 0.0116 -0.0233 553 TRP A C 1370 O O . TRP A 175 ? 0.3493 0.3180 0.3072 -0.0680 0.0328 -0.1070 553 TRP A O 1371 C CB . TRP A 175 ? 0.2833 0.3452 0.2083 -0.0415 0.1445 -0.0817 553 TRP A CB 1372 C CG . TRP A 175 ? 0.3687 0.3466 0.3881 -0.0836 0.0936 -0.0632 553 TRP A CG 1373 C CD1 . TRP A 175 ? 0.4324 0.3764 0.4208 -0.0358 0.1018 -0.0075 553 TRP A CD1 1374 C CD2 . TRP A 175 ? 0.3814 0.3801 0.3771 -0.0599 0.0690 -0.0589 553 TRP A CD2 1375 N NE1 . TRP A 175 ? 0.4527 0.3855 0.4722 -0.1531 0.0919 -0.0091 553 TRP A NE1 1376 C CE2 . TRP A 175 ? 0.4497 0.4105 0.4155 -0.0901 0.0521 -0.0367 553 TRP A CE2 1377 C CE3 . TRP A 175 ? 0.2253 0.3000 0.4040 -0.0870 0.0438 -0.0527 553 TRP A CE3 1378 C CZ2 . TRP A 175 ? 0.4147 0.4131 0.4628 -0.0699 0.0713 -0.0825 553 TRP A CZ2 1379 C CZ3 . TRP A 175 ? 0.2868 0.3987 0.4185 -0.0690 0.1026 -0.0666 553 TRP A CZ3 1380 C CH2 . TRP A 175 ? 0.4084 0.3985 0.4982 -0.1010 0.0619 -0.0678 553 TRP A CH2 1381 N N . LEU A 176 ? 0.2640 0.3334 0.2590 -0.0162 0.0390 -0.0200 554 LEU A N 1382 C CA . LEU A 176 ? 0.3124 0.2941 0.3178 0.0119 0.0311 -0.0065 554 LEU A CA 1383 C C . LEU A 176 ? 0.3065 0.3914 0.2756 -0.0343 0.0108 -0.0668 554 LEU A C 1384 O O . LEU A 176 ? 0.3133 0.2834 0.2919 -0.0236 0.0351 -0.0634 554 LEU A O 1385 C CB . LEU A 176 ? 0.2731 0.3231 0.2568 0.0021 0.0542 0.0184 554 LEU A CB 1386 C CG . LEU A 176 ? 0.3043 0.3079 0.2599 0.0309 0.0777 0.0346 554 LEU A CG 1387 C CD1 . LEU A 176 ? 0.3183 0.3317 0.2841 0.0118 0.0717 -0.0069 554 LEU A CD1 1388 C CD2 . LEU A 176 ? 0.2920 0.2803 0.2852 0.0502 0.0917 0.0335 554 LEU A CD2 1389 N N A VAL A 177 ? 0.3175 0.2915 0.2915 -0.0415 -0.0025 -0.0410 555 VAL A N 1390 N N B VAL A 177 ? 0.3259 0.2883 0.2757 -0.0422 -0.0001 -0.0456 555 VAL A N 1391 C CA A VAL A 177 ? 0.3143 0.2995 0.2940 -0.0277 0.0115 -0.0334 555 VAL A CA 1392 C CA B VAL A 177 ? 0.3222 0.2892 0.2576 -0.0299 0.0135 -0.0465 555 VAL A CA 1393 C C A VAL A 177 ? 0.3507 0.3159 0.3209 -0.0438 0.0427 -0.0183 555 VAL A C 1394 C C B VAL A 177 ? 0.3556 0.3116 0.3108 -0.0456 0.0408 -0.0199 555 VAL A C 1395 O O A VAL A 177 ? 0.3140 0.2942 0.3877 -0.0661 0.0278 -0.0519 555 VAL A O 1396 O O B VAL A 177 ? 0.3093 0.2662 0.3964 -0.0695 0.0411 -0.0479 555 VAL A O 1397 C CB A VAL A 177 ? 0.3089 0.3250 0.3486 -0.0286 -0.0009 -0.0122 555 VAL A CB 1398 C CB B VAL A 177 ? 0.3432 0.3178 0.2379 -0.0349 -0.0075 -0.0537 555 VAL A CB 1399 C CG1 A VAL A 177 ? 0.3375 0.2828 0.3188 -0.0122 0.0112 -0.0064 555 VAL A CG1 1400 C CG1 B VAL A 177 ? 0.3390 0.2299 0.2456 -0.0377 -0.0142 -0.0498 555 VAL A CG1 1401 C CG2 A VAL A 177 ? 0.2882 0.4133 0.3507 -0.0184 -0.0637 0.0136 555 VAL A CG2 1402 C CG2 B VAL A 177 ? 0.3423 0.2974 0.2485 -0.0139 0.0118 -0.0153 555 VAL A CG2 1403 N N . ALA A 178 ? 0.2906 0.2962 0.2739 -0.0370 0.0011 -0.0144 556 ALA A N 1404 C CA . ALA A 178 ? 0.2661 0.2759 0.3052 0.0089 0.0274 -0.0226 556 ALA A CA 1405 C C . ALA A 178 ? 0.2637 0.2798 0.3284 -0.0202 0.0264 -0.0383 556 ALA A C 1406 O O . ALA A 178 ? 0.2211 0.3266 0.2812 0.0240 0.0402 -0.0540 556 ALA A O 1407 C CB . ALA A 178 ? 0.1924 0.2752 0.2257 -0.0175 0.0112 -0.0423 556 ALA A CB 1408 N N . SER A 179 ? 0.2809 0.2183 0.2661 -0.0021 -0.0058 -0.0303 557 SER A N 1409 C CA . SER A 179 ? 0.2740 0.2806 0.3221 -0.0183 -0.0060 -0.0131 557 SER A CA 1410 C C . SER A 179 ? 0.3088 0.2902 0.2751 0.0009 0.0002 0.0170 557 SER A C 1411 O O . SER A 179 ? 0.3441 0.3457 0.3253 -0.0077 0.0232 -0.0217 557 SER A O 1412 C CB . SER A 179 ? 0.2927 0.2364 0.4157 -0.0121 -0.0327 0.0016 557 SER A CB 1413 O OG . SER A 179 ? 0.3886 0.3157 0.4904 0.0335 0.0108 0.0011 557 SER A OG 1414 N N . GLY A 180 ? 0.2580 0.2651 0.3007 -0.0073 0.0227 -0.0635 558 GLY A N 1415 C CA . GLY A 180 ? 0.2567 0.2970 0.2916 0.0180 0.0598 -0.0256 558 GLY A CA 1416 C C . GLY A 180 ? 0.2782 0.3009 0.3428 -0.0229 -0.0103 -0.0381 558 GLY A C 1417 O O . GLY A 180 ? 0.2151 0.2946 0.3500 -0.0481 0.0434 -0.0315 558 GLY A O 1418 N N . SER A 181 ? 0.2961 0.2702 0.3068 -0.0131 -0.0065 -0.0112 559 SER A N 1419 C CA . SER A 181 ? 0.3018 0.3021 0.2864 -0.0210 0.0030 0.0073 559 SER A CA 1420 C C . SER A 181 ? 0.2925 0.2787 0.3023 -0.0088 0.0107 -0.0031 559 SER A C 1421 O O . SER A 181 ? 0.2372 0.3366 0.2488 -0.0046 0.0092 -0.0229 559 SER A O 1422 C CB . SER A 181 ? 0.2198 0.2730 0.2990 -0.0267 -0.0173 -0.0017 559 SER A CB 1423 O OG . SER A 181 ? 0.2485 0.2647 0.2937 -0.0457 0.0034 -0.0259 559 SER A OG 1424 N N . THR A 182 ? 0.2895 0.2716 0.3110 -0.0192 0.0225 -0.0386 560 THR A N 1425 C CA . THR A 182 ? 0.3170 0.2833 0.3337 -0.0291 0.0310 -0.0425 560 THR A CA 1426 C C . THR A 182 ? 0.2908 0.3050 0.3790 -0.0131 0.0025 -0.0140 560 THR A C 1427 O O . THR A 182 ? 0.2988 0.2908 0.3979 -0.0113 0.0014 0.0033 560 THR A O 1428 C CB . THR A 182 ? 0.3231 0.2941 0.3202 -0.0158 0.0016 -0.0343 560 THR A CB 1429 O OG1 . THR A 182 ? 0.2586 0.3314 0.4058 -0.0362 0.0522 -0.0331 560 THR A OG1 1430 C CG2 . THR A 182 ? 0.2934 0.3849 0.3032 -0.0213 -0.0195 0.0001 560 THR A CG2 1431 N N . VAL A 183 ? 0.2838 0.2795 0.3646 0.0028 0.0027 -0.0208 561 VAL A N 1432 C CA . VAL A 183 ? 0.2533 0.3098 0.3145 -0.0060 0.0405 -0.0387 561 VAL A CA 1433 C C . VAL A 183 ? 0.2834 0.2414 0.3275 0.0054 -0.0097 -0.0044 561 VAL A C 1434 O O . VAL A 183 ? 0.2421 0.3118 0.2608 -0.0162 0.0050 -0.0344 561 VAL A O 1435 C CB . VAL A 183 ? 0.2872 0.2794 0.3275 -0.0424 0.0223 -0.0471 561 VAL A CB 1436 C CG1 . VAL A 183 ? 0.2181 0.2671 0.3385 -0.0210 0.0891 -0.0530 561 VAL A CG1 1437 C CG2 . VAL A 183 ? 0.2358 0.2054 0.3521 -0.0617 0.0342 -0.0414 561 VAL A CG2 1438 N N . ALA A 184 ? 0.2952 0.2193 0.3436 -0.0041 0.0626 -0.0469 562 ALA A N 1439 C CA . ALA A 184 ? 0.3236 0.3060 0.3507 0.0168 0.0371 0.0110 562 ALA A CA 1440 C C . ALA A 184 ? 0.3190 0.3184 0.3183 0.0458 0.0359 -0.0033 562 ALA A C 1441 O O . ALA A 184 ? 0.2495 0.3088 0.3204 -0.0492 0.0636 0.0010 562 ALA A O 1442 C CB . ALA A 184 ? 0.3150 0.3571 0.4671 0.0090 -0.0102 0.0518 562 ALA A CB 1443 N N . MET A 185 ? 0.2514 0.3005 0.3102 -0.0268 0.0651 0.0191 563 MET A N 1444 C CA . MET A 185 ? 0.2867 0.3240 0.3621 0.0167 0.0350 0.0272 563 MET A CA 1445 C C . MET A 185 ? 0.3178 0.3264 0.3743 0.0006 0.0499 -0.0183 563 MET A C 1446 O O . MET A 185 ? 0.2963 0.3472 0.3846 -0.0124 0.0924 -0.0160 563 MET A O 1447 C CB . MET A 185 ? 0.3267 0.3217 0.3733 0.0164 0.0218 0.0149 563 MET A CB 1448 C CG . MET A 185 ? 0.3044 0.2997 0.3816 0.0225 0.0966 0.0219 563 MET A CG 1449 S SD . MET A 185 ? 0.3174 0.3071 0.3430 0.0121 0.0503 -0.0285 563 MET A SD 1450 C CE . MET A 185 ? 0.2497 0.3004 0.2773 0.0354 0.0050 0.0003 563 MET A CE 1451 N N . THR A 186 ? 0.3502 0.3207 0.3984 0.0086 0.0851 -0.0018 564 THR A N 1452 C CA . THR A 186 ? 0.4104 0.3482 0.4050 -0.0015 0.0312 -0.0384 564 THR A CA 1453 C C . THR A 186 ? 0.4199 0.3920 0.4505 -0.0016 0.0454 -0.0148 564 THR A C 1454 O O . THR A 186 ? 0.4362 0.3203 0.4116 0.0161 0.0559 -0.0870 564 THR A O 1455 C CB . THR A 186 ? 0.3294 0.3613 0.3440 0.0303 0.0201 0.0193 564 THR A CB 1456 O OG1 . THR A 186 ? 0.2924 0.2181 0.3012 -0.0065 0.0316 -0.0041 564 THR A OG1 1457 C CG2 . THR A 186 ? 0.2574 0.2810 0.3400 -0.0234 -0.0445 0.0117 564 THR A CG2 1458 N N . GLU A 187 ? 0.3832 0.3931 0.6168 0.0197 0.0631 0.0168 565 GLU A N 1459 C CA . GLU A 187 ? 0.4558 0.5122 0.5597 0.0324 0.0826 0.0457 565 GLU A CA 1460 C C . GLU A 187 ? 0.4253 0.4373 0.4761 -0.0489 0.0842 0.0737 565 GLU A C 1461 O O . GLU A 187 ? 0.4736 0.4585 0.4862 -0.0695 0.1176 0.1290 565 GLU A O 1462 C CB . GLU A 187 ? 0.6218 0.5679 0.8617 -0.0792 -0.0042 0.0317 565 GLU A CB 1463 C CG . GLU A 187 ? 0.9519 1.0235 0.8799 -0.0778 0.1414 0.0568 565 GLU A CG 1464 C CD . GLU A 187 ? 1.1356 0.9785 0.9388 0.0034 0.0810 0.0356 565 GLU A CD 1465 O OE1 . GLU A 187 ? 1.2090 0.9898 1.4273 -0.0056 0.0077 0.0832 565 GLU A OE1 1466 O OE2 . GLU A 187 ? 1.1979 1.1817 0.9406 -0.0297 0.2328 -0.0617 565 GLU A OE2 1467 N N . GLN A 188 ? 0.4081 0.3058 0.4956 -0.0554 0.0445 0.0512 566 GLN A N 1468 C CA . GLN A 188 ? 0.3945 0.3800 0.5093 -0.0401 0.0887 -0.0006 566 GLN A CA 1469 C C . GLN A 188 ? 0.3537 0.3227 0.4040 -0.0237 0.0009 0.0104 566 GLN A C 1470 O O . GLN A 188 ? 0.3230 0.2947 0.3690 -0.0556 0.0453 0.0211 566 GLN A O 1471 C CB . GLN A 188 ? 0.4074 0.3694 0.5571 -0.0432 0.0382 -0.0170 566 GLN A CB 1472 C CG . GLN A 188 ? 0.4506 0.4323 0.6156 -0.0445 0.0944 -0.0397 566 GLN A CG 1473 C CD . GLN A 188 ? 0.4161 0.5807 0.6142 -0.1542 -0.0175 0.0019 566 GLN A CD 1474 O OE1 . GLN A 188 ? 0.8210 0.5321 0.7851 -0.1957 -0.0346 -0.0943 566 GLN A OE1 1475 N NE2 . GLN A 188 ? 0.4208 0.7822 0.7477 -0.0146 -0.1383 -0.1279 566 GLN A NE2 1476 N N . LEU A 189 ? 0.3368 0.2872 0.3440 -0.0237 0.0298 -0.0954 567 LEU A N 1477 C CA . LEU A 189 ? 0.3101 0.3663 0.3274 -0.0139 0.0062 -0.0383 567 LEU A CA 1478 C C . LEU A 189 ? 0.3212 0.3267 0.3124 0.0178 0.0107 -0.0003 567 LEU A C 1479 O O . LEU A 189 ? 0.3681 0.3278 0.3234 0.0179 0.0133 0.0018 567 LEU A O 1480 C CB . LEU A 189 ? 0.3193 0.3734 0.3139 -0.0389 0.0006 -0.0029 567 LEU A CB 1481 C CG . LEU A 189 ? 0.2862 0.3022 0.3442 0.0044 -0.0317 0.0527 567 LEU A CG 1482 C CD1 . LEU A 189 ? 0.2712 0.2935 0.2632 0.0388 -0.0098 0.0576 567 LEU A CD1 1483 C CD2 . LEU A 189 ? 0.2947 0.2820 0.2532 0.0207 -0.0204 0.0034 567 LEU A CD2 1484 N N . GLN A 190 ? 0.1898 0.3289 0.2875 0.0303 0.0105 -0.0098 568 GLN A N 1485 C CA . GLN A 190 ? 0.2309 0.3859 0.2872 0.0246 0.0046 -0.0118 568 GLN A CA 1486 C C . GLN A 190 ? 0.2513 0.2873 0.3100 -0.0229 0.0057 -0.0241 568 GLN A C 1487 O O . GLN A 190 ? 0.2137 0.2829 0.2859 -0.0063 -0.0272 -0.0062 568 GLN A O 1488 C CB . GLN A 190 ? 0.2436 0.3215 0.2961 0.0468 -0.0012 -0.0241 568 GLN A CB 1489 C CG . GLN A 190 ? 0.2780 0.3182 0.3698 0.0002 0.0129 0.0225 568 GLN A CG 1490 C CD . GLN A 190 ? 0.2955 0.3234 0.3497 -0.0103 -0.0033 0.0085 568 GLN A CD 1491 O OE1 . GLN A 190 ? 0.2773 0.3266 0.3432 -0.0107 -0.0083 0.0144 568 GLN A OE1 1492 N NE2 . GLN A 190 ? 0.3168 0.3451 0.4093 -0.0382 -0.0065 -0.0105 568 GLN A NE2 1493 N N . MET A 191 ? 0.2441 0.2416 0.2958 0.0162 -0.0248 0.0129 569 MET A N 1494 C CA . MET A 191 ? 0.2562 0.3040 0.2569 0.0094 -0.0251 0.0042 569 MET A CA 1495 C C . MET A 191 ? 0.2527 0.3591 0.2782 -0.0338 -0.0106 -0.0052 569 MET A C 1496 O O . MET A 191 ? 0.2534 0.3093 0.2401 -0.0263 -0.0291 0.0294 569 MET A O 1497 C CB . MET A 191 ? 0.2861 0.3022 0.2963 0.0569 -0.0207 0.0043 569 MET A CB 1498 C CG . MET A 191 ? 0.2889 0.3425 0.3058 0.0270 0.0216 -0.0221 569 MET A CG 1499 S SD . MET A 191 ? 0.3271 0.3399 0.3366 -0.0293 0.0180 0.0087 569 MET A SD 1500 C CE . MET A 191 ? 0.2945 0.3709 0.2974 0.0034 0.0124 -0.0784 569 MET A CE 1501 N N . GLY A 192 ? 0.2480 0.2656 0.2643 -0.0095 -0.0145 0.0496 570 GLY A N 1502 C CA . GLY A 192 ? 0.2144 0.2811 0.2760 -0.0128 -0.0266 -0.0033 570 GLY A CA 1503 C C . GLY A 192 ? 0.2607 0.2610 0.2939 0.0180 -0.0301 0.0024 570 GLY A C 1504 O O . GLY A 192 ? 0.2531 0.2956 0.2979 0.0248 -0.0350 0.0120 570 GLY A O 1505 N N . PHE A 193 ? 0.2465 0.2442 0.2694 -0.0169 -0.0117 0.0001 571 PHE A N 1506 C CA . PHE A 193 ? 0.2618 0.2899 0.2754 0.0103 0.0081 0.0072 571 PHE A CA 1507 C C . PHE A 193 ? 0.2850 0.3180 0.2992 -0.0148 0.0172 0.0208 571 PHE A C 1508 O O . PHE A 193 ? 0.3069 0.3910 0.3536 -0.0038 0.0021 -0.0429 571 PHE A O 1509 C CB . PHE A 193 ? 0.2655 0.2856 0.2893 -0.0150 -0.0202 -0.0124 571 PHE A CB 1510 C CG . PHE A 193 ? 0.3299 0.4014 0.2681 -0.0500 -0.0246 0.0299 571 PHE A CG 1511 C CD1 . PHE A 193 ? 0.4315 0.3520 0.3824 -0.0475 0.0638 -0.0558 571 PHE A CD1 1512 C CD2 . PHE A 193 ? 0.3980 0.5334 0.3048 -0.1148 -0.0027 0.0630 571 PHE A CD2 1513 C CE1 . PHE A 193 ? 0.4540 0.3216 0.4542 -0.0479 0.0925 -0.0027 571 PHE A CE1 1514 C CE2 . PHE A 193 ? 0.3579 0.6524 0.3759 -0.1090 0.0307 0.0412 571 PHE A CE2 1515 C CZ . PHE A 193 ? 0.3760 0.4570 0.4273 -0.0707 0.0415 0.0285 571 PHE A CZ 1516 N N . GLY A 194 ? 0.2612 0.3111 0.2737 -0.0077 -0.0298 -0.0106 572 GLY A N 1517 C CA . GLY A 194 ? 0.2510 0.3178 0.2418 0.0050 -0.0440 -0.0712 572 GLY A CA 1518 C C . GLY A 194 ? 0.2951 0.3086 0.2869 0.0219 -0.0143 -0.0377 572 GLY A C 1519 O O . GLY A 194 ? 0.2963 0.3621 0.3246 0.0780 -0.0361 -0.0804 572 GLY A O 1520 N N . ILE A 195 ? 0.2957 0.2528 0.3031 -0.0134 0.0131 -0.0066 573 ILE A N 1521 C CA . ILE A 195 ? 0.2928 0.2665 0.3071 0.0033 0.0197 0.0121 573 ILE A CA 1522 C C . ILE A 195 ? 0.2783 0.2767 0.3133 -0.0043 0.0164 -0.0063 573 ILE A C 1523 O O . ILE A 195 ? 0.2680 0.3645 0.3284 0.0170 0.0041 -0.0169 573 ILE A O 1524 C CB . ILE A 195 ? 0.2937 0.2696 0.3182 -0.0005 0.0018 -0.0199 573 ILE A CB 1525 C CG1 . ILE A 195 ? 0.2390 0.3110 0.3888 -0.0260 0.0376 -0.0878 573 ILE A CG1 1526 C CG2 . ILE A 195 ? 0.3103 0.2745 0.3802 0.0125 0.0057 0.0245 573 ILE A CG2 1527 C CD1 . ILE A 195 ? 0.3768 0.3233 0.4625 -0.0353 0.0567 0.0090 573 ILE A CD1 1528 N N . THR A 196 ? 0.2765 0.2842 0.3469 -0.0015 0.0056 0.0141 574 THR A N 1529 C CA . THR A 196 ? 0.2917 0.2857 0.3022 0.0072 -0.0135 0.0123 574 THR A CA 1530 C C . THR A 196 ? 0.2954 0.2910 0.2956 0.0174 -0.0219 -0.0230 574 THR A C 1531 O O . THR A 196 ? 0.2830 0.3157 0.3128 0.0118 -0.0394 0.0089 574 THR A O 1532 C CB . THR A 196 ? 0.3194 0.2864 0.3298 -0.0083 0.0219 0.0245 574 THR A CB 1533 O OG1 . THR A 196 ? 0.3415 0.3000 0.3350 -0.0093 -0.0356 0.0050 574 THR A OG1 1534 C CG2 . THR A 196 ? 0.2780 0.2524 0.3225 -0.0161 -0.0037 -0.0422 574 THR A CG2 1535 N N . VAL A 197 ? 0.2817 0.3171 0.2956 0.0009 -0.0080 -0.0180 575 VAL A N 1536 C CA . VAL A 197 ? 0.2946 0.2895 0.3484 0.0011 -0.0017 -0.0264 575 VAL A CA 1537 C C . VAL A 197 ? 0.3189 0.2807 0.3088 0.0000 -0.0066 -0.0163 575 VAL A C 1538 O O . VAL A 197 ? 0.2286 0.3054 0.3330 0.0178 0.0056 0.0051 575 VAL A O 1539 C CB . VAL A 197 ? 0.3319 0.2816 0.3702 0.0076 -0.0213 0.0101 575 VAL A CB 1540 C CG1 . VAL A 197 ? 0.2829 0.2276 0.3686 0.0263 -0.0244 -0.0021 575 VAL A CG1 1541 C CG2 . VAL A 197 ? 0.3547 0.2567 0.3502 0.0645 -0.0211 -0.0578 575 VAL A CG2 1542 N N . GLN A 198 ? 0.2985 0.2626 0.3138 -0.0331 -0.0163 -0.0223 576 GLN A N 1543 C CA . GLN A 198 ? 0.3238 0.3004 0.3357 -0.0013 0.0140 -0.0597 576 GLN A CA 1544 C C . GLN A 198 ? 0.2403 0.3095 0.3095 -0.0147 0.0047 -0.0189 576 GLN A C 1545 O O . GLN A 198 ? 0.2984 0.3196 0.3434 0.0475 0.0169 0.0153 576 GLN A O 1546 C CB . GLN A 198 ? 0.3424 0.3798 0.3129 -0.0493 -0.0032 -0.0476 576 GLN A CB 1547 C CG . GLN A 198 ? 0.5485 0.4251 0.4962 -0.0268 -0.0244 -0.0540 576 GLN A CG 1548 C CD . GLN A 198 ? 0.5599 0.5663 0.5901 -0.1718 0.0260 -0.0443 576 GLN A CD 1549 O OE1 . GLN A 198 ? 0.7720 0.5987 0.6676 -0.1871 -0.0561 -0.2258 576 GLN A OE1 1550 N NE2 . GLN A 198 ? 0.5887 0.5824 0.7084 -0.1993 0.0658 0.0258 576 GLN A NE2 1551 N N . TYR A 199 ? 0.1994 0.2996 0.3059 -0.0521 -0.0518 -0.1026 577 TYR A N 1552 C CA . TYR A 199 ? 0.3354 0.3136 0.3341 0.0094 0.0084 -0.0216 577 TYR A CA 1553 C C . TYR A 199 ? 0.3417 0.3784 0.5111 -0.0428 -0.0237 -0.0061 577 TYR A C 1554 O O . TYR A 199 ? 0.3517 0.4187 0.5286 0.0226 0.0947 0.0110 577 TYR A O 1555 C CB . TYR A 199 ? 0.3218 0.3156 0.3554 -0.0007 0.0122 -0.0567 577 TYR A CB 1556 C CG . TYR A 199 ? 0.3336 0.3147 0.3360 0.0121 -0.0072 -0.0539 577 TYR A CG 1557 C CD1 . TYR A 199 ? 0.3496 0.3057 0.3597 0.0248 0.0647 -0.0480 577 TYR A CD1 1558 C CD2 . TYR A 199 ? 0.3335 0.3434 0.3177 0.0142 0.0009 -0.0013 577 TYR A CD2 1559 C CE1 . TYR A 199 ? 0.3481 0.3253 0.3036 0.0162 0.0682 0.0136 577 TYR A CE1 1560 C CE2 . TYR A 199 ? 0.3348 0.2972 0.2619 0.0066 0.0311 -0.0200 577 TYR A CE2 1561 C CZ . TYR A 199 ? 0.3257 0.3356 0.3101 0.0138 0.0834 0.0060 577 TYR A CZ 1562 O OH . TYR A 199 ? 0.3767 0.4152 0.3553 -0.0581 0.0888 -0.0376 577 TYR A OH 1563 N N . GLY A 200 ? 0.5050 0.4228 0.6043 0.0445 -0.0269 0.0179 578 GLY A N 1564 C CA . GLY A 200 ? 0.5254 0.6172 0.7415 0.0857 -0.0443 0.0229 578 GLY A CA 1565 C C . GLY A 200 ? 0.8305 0.8142 0.9504 0.3090 0.2497 0.0359 578 GLY A C 1566 O O . GLY A 200 ? 0.6960 0.5722 0.9580 0.4872 0.2760 0.1710 578 GLY A O 1567 N N . THR A 201 ? 0.8467 0.9036 0.9505 0.1402 -0.0307 0.1474 579 THR A N 1568 C CA . THR A 201 ? 0.8757 0.9227 1.0831 0.1351 0.1638 0.1176 579 THR A CA 1569 C C . THR A 201 ? 0.9303 0.9109 0.9964 0.1268 -0.0425 0.0709 579 THR A C 1570 O O . THR A 201 ? 0.9955 0.7574 1.3138 0.0717 0.2425 0.1435 579 THR A O 1571 C CB . THR A 201 ? 0.9371 0.9367 1.1197 0.0008 0.1844 0.0949 579 THR A CB 1572 O OG1 . THR A 201 ? 0.9130 0.9911 1.2412 0.3154 0.1983 0.1477 579 THR A OG1 1573 C CG2 . THR A 201 ? 1.3052 0.9435 1.0345 -0.0178 0.3370 0.1608 579 THR A CG2 1574 N N . ASP A 202 ? 0.8817 0.9901 0.9601 0.0920 -0.0171 -0.0230 580 ASP A N 1575 C CA . ASP A 202 ? 0.9653 0.9337 0.9450 -0.0350 0.0197 -0.0398 580 ASP A CA 1576 C C . ASP A 202 ? 0.9137 0.6785 0.8709 0.0099 -0.0217 0.0934 580 ASP A C 1577 O O . ASP A 202 ? 1.0212 0.7856 0.7892 -0.0071 -0.1099 0.0461 580 ASP A O 1578 C CB . ASP A 202 ? 0.9796 1.0195 1.1072 -0.0020 0.1061 -0.0969 580 ASP A CB 1579 C CG . ASP A 202 ? 0.9495 1.1397 1.1570 -0.0418 0.1356 -0.1808 580 ASP A CG 1580 O OD1 . ASP A 202 ? 0.8263 1.2892 1.0593 -0.3517 -0.0581 -0.1670 580 ASP A OD1 1581 O OD2 . ASP A 202 ? 0.9604 1.1253 1.1275 0.0447 0.1174 -0.2521 580 ASP A OD2 1582 N N . THR A 203 ? 0.7765 0.7759 0.7961 0.0236 0.0584 -0.1696 581 THR A N 1583 C CA . THR A 203 ? 0.5763 0.6998 0.6453 0.0227 0.1242 0.0441 581 THR A CA 1584 C C . THR A 203 ? 0.5393 0.5424 0.6039 0.0253 -0.0310 -0.0655 581 THR A C 1585 O O . THR A 203 ? 0.3360 0.5199 0.5877 0.0710 -0.0578 -0.0010 581 THR A O 1586 C CB . THR A 203 ? 0.6769 0.7323 0.6742 -0.0150 0.0353 0.0358 581 THR A CB 1587 O OG1 . THR A 203 ? 0.7096 0.6297 0.7952 0.0627 0.1340 0.1599 581 THR A OG1 1588 C CG2 . THR A 203 ? 0.6875 0.6192 0.8042 -0.1456 0.0355 0.0363 581 THR A CG2 1589 N N . ASN A 204 ? 0.4318 0.4543 0.5192 0.1392 -0.0859 -0.0437 582 ASN A N 1590 C CA . ASN A 204 ? 0.4837 0.3911 0.4852 -0.0135 0.0449 -0.0433 582 ASN A CA 1591 C C . ASN A 204 ? 0.4349 0.3935 0.4821 0.0557 0.0124 -0.0086 582 ASN A C 1592 O O . ASN A 204 ? 0.5469 0.3076 0.5070 0.0978 0.0566 -0.0137 582 ASN A O 1593 C CB . ASN A 204 ? 0.4574 0.4688 0.4606 0.1001 -0.0040 -0.0306 582 ASN A CB 1594 C CG . ASN A 204 ? 0.4608 0.4302 0.4869 0.1163 0.0055 -0.0228 582 ASN A CG 1595 O OD1 . ASN A 204 ? 0.5192 0.6632 0.3848 0.0720 -0.0339 0.0129 582 ASN A OD1 1596 N ND2 . ASN A 204 ? 0.3245 0.4331 0.4616 0.1718 0.0484 -0.0604 582 ASN A ND2 1597 N N . SER A 205 ? 0.3264 0.3743 0.4507 0.0901 0.0448 -0.0106 583 SER A N 1598 C CA . SER A 205 ? 0.4161 0.5812 0.4402 0.1081 0.0368 0.0199 583 SER A CA 1599 C C . SER A 205 ? 0.3886 0.4871 0.4165 0.0699 0.0368 0.0500 583 SER A C 1600 O O . SER A 205 ? 0.4719 0.5008 0.4358 0.1223 0.0205 0.1077 583 SER A O 1601 C CB . SER A 205 ? 0.4597 0.7115 0.5289 0.0979 -0.0472 0.0797 583 SER A CB 1602 O OG . SER A 205 ? 0.6647 0.7674 0.7863 0.1472 0.0533 0.0461 583 SER A OG 1603 N N . VAL A 206 ? 0.3575 0.4240 0.3848 0.0708 0.0081 -0.0174 584 VAL A N 1604 C CA . VAL A 206 ? 0.3294 0.3834 0.4029 0.0189 0.0039 -0.0067 584 VAL A CA 1605 C C . VAL A 206 ? 0.3404 0.3710 0.3964 0.0282 -0.0074 0.0128 584 VAL A C 1606 O O . VAL A 206 ? 0.3507 0.3631 0.3989 0.0450 -0.0390 -0.0037 584 VAL A O 1607 C CB . VAL A 206 ? 0.3336 0.3834 0.4367 0.0133 0.0238 0.0057 584 VAL A CB 1608 C CG1 . VAL A 206 ? 0.3066 0.3013 0.4018 0.0697 -0.0364 0.0371 584 VAL A CG1 1609 C CG2 . VAL A 206 ? 0.3199 0.4128 0.4571 0.0447 -0.0313 -0.0025 584 VAL A CG2 1610 N N . CYS A 207 ? 0.3281 0.3384 0.4115 0.0720 0.0381 0.0089 585 CYS A N 1611 C CA . CYS A 207 ? 0.3331 0.3492 0.4683 0.0255 -0.0168 0.0624 585 CYS A CA 1612 C C . CYS A 207 ? 0.3756 0.3354 0.3896 0.0519 -0.0048 0.0079 585 CYS A C 1613 O O . CYS A 207 ? 0.4349 0.3526 0.3719 0.0291 -0.0183 0.0489 585 CYS A O 1614 C CB . CYS A 207 ? 0.4787 0.3722 0.4344 0.0742 0.0361 -0.0961 585 CYS A CB 1615 S SG . CYS A 207 ? 0.4033 0.5394 0.5848 0.0692 0.0345 0.0378 585 CYS A SG 1616 N N . PRO A 208 ? 0.4009 0.3401 0.4102 0.0250 -0.0194 0.0358 586 PRO A N 1617 C CA . PRO A 208 ? 0.4040 0.4438 0.4435 0.0626 0.0315 0.0208 586 PRO A CA 1618 C C . PRO A 208 ? 0.5545 0.4442 0.5804 0.0480 0.0548 0.0750 586 PRO A C 1619 O O . PRO A 208 ? 0.4712 0.3916 0.6175 0.0203 0.0422 0.1665 586 PRO A O 1620 C CB . PRO A 208 ? 0.4027 0.4735 0.4949 0.0878 0.0218 -0.0523 586 PRO A CB 1621 C CG . PRO A 208 ? 0.4859 0.4084 0.4108 -0.0313 0.0306 0.0022 586 PRO A CG 1622 C CD . PRO A 208 ? 0.3713 0.4337 0.3996 0.0199 0.0195 -0.0111 586 PRO A CD 1623 N N . LYS A 209 ? 0.6411 0.5535 0.5744 0.0469 0.0965 -0.0018 587 LYS A N 1624 C CA . LYS A 209 ? 0.7156 0.6742 0.7439 0.0318 0.0974 0.1065 587 LYS A CA 1625 C C . LYS A 209 ? 0.8902 0.6788 0.8829 -0.0843 0.1406 0.0912 587 LYS A C 1626 O O . LYS A 209 ? 0.8649 0.9443 1.0824 -0.1391 0.1787 0.2452 587 LYS A O 1627 C CB . LYS A 209 ? 0.7459 0.7044 0.6155 0.0267 0.0648 0.1424 587 LYS A CB 1628 C CG . LYS A 209 ? 0.4747 0.6159 0.8426 0.0608 -0.0646 0.1191 587 LYS A CG 1629 C CD . LYS A 209 ? 0.7948 0.7247 0.7331 0.0873 -0.1003 0.1185 587 LYS A CD 1630 C CE . LYS A 209 ? 0.5245 0.5043 0.6397 0.2874 -0.2015 0.2846 587 LYS A CE 1631 N NZ . LYS A 209 ? 0.6503 0.6832 0.6571 0.3749 -0.2775 0.2886 587 LYS A NZ 1632 N N . LEU A 210 ? 1.1298 0.7785 1.1050 0.0320 0.1607 0.1183 588 LEU A N 1633 C CA . LEU A 210 ? 1.2049 0.9359 1.1817 -0.0470 0.1574 0.0088 588 LEU A CA 1634 C C . LEU A 210 ? 1.1743 0.8887 0.9682 -0.0509 0.0048 0.0167 588 LEU A C 1635 O O . LEU A 210 ? 1.0743 0.6622 1.0950 -0.0225 0.1267 -0.1250 588 LEU A O 1636 C CB . LEU A 210 ? 1.2233 1.0973 1.2074 -0.0134 0.2088 -0.0375 588 LEU A CB 1637 C CG . LEU A 210 ? 1.2100 1.2403 1.1711 -0.0065 0.1698 0.0140 588 LEU A CG 1638 C CD1 . LEU A 210 ? 0.9851 0.9169 1.2643 -0.3848 0.2991 0.0083 588 LEU A CD1 1639 C CD2 . LEU A 210 ? 1.0755 1.5958 1.5662 0.0144 0.1656 -0.0294 588 LEU A CD2 1640 N N . GLU B 1 ? 1.2955 1.6189 1.2008 -0.1244 0.0402 -0.3782 379 GLU B N 1641 C CA . GLU B 1 ? 1.2623 1.4676 1.3783 -0.0766 0.0574 -0.1856 379 GLU B CA 1642 C C . GLU B 1 ? 1.2525 1.3816 1.3100 -0.1383 0.1354 -0.1135 379 GLU B C 1643 O O . GLU B 1 ? 1.2168 1.6848 1.2624 -0.2010 0.1081 -0.1258 379 GLU B O 1644 C CB . GLU B 1 ? 1.4370 1.2028 1.4599 -0.0686 0.0065 -0.1307 379 GLU B CB 1645 C CG . GLU B 1 ? 1.4867 1.2288 1.5292 -0.0093 0.0272 -0.0757 379 GLU B CG 1646 C CD . GLU B 1 ? 1.5805 1.1830 1.4692 0.0258 -0.0042 -0.0323 379 GLU B CD 1647 O OE1 . GLU B 1 ? 1.8804 1.1051 1.5368 -0.0193 0.0276 -0.2355 379 GLU B OE1 1648 O OE2 . GLU B 1 ? 1.8981 1.3395 1.3669 -0.2090 -0.0830 -0.0940 379 GLU B OE2 1649 N N . GLY B 2 ? 1.0440 1.3115 1.1054 -0.0210 -0.1231 -0.0998 380 GLY B N 1650 C CA . GLY B 2 ? 0.8991 1.2180 0.9861 -0.0466 -0.0208 0.0124 380 GLY B CA 1651 C C . GLY B 2 ? 0.9038 1.0150 0.9647 -0.0408 0.0086 -0.0212 380 GLY B C 1652 O O . GLY B 2 ? 0.9884 0.9840 0.9082 0.0052 0.0005 0.2181 380 GLY B O 1653 N N . VAL B 3 ? 0.7151 0.9969 0.8773 -0.1299 0.0158 0.0585 381 VAL B N 1654 C CA . VAL B 3 ? 0.8186 0.8873 0.6918 -0.1297 0.0660 0.0804 381 VAL B CA 1655 C C . VAL B 3 ? 0.6867 0.6801 0.6248 -0.0982 -0.1005 0.0943 381 VAL B C 1656 O O . VAL B 3 ? 0.7568 0.5732 0.8293 -0.2470 -0.0027 0.1144 381 VAL B O 1657 C CB . VAL B 3 ? 0.8578 0.8634 0.7280 -0.1225 0.0776 0.0701 381 VAL B CB 1658 C CG1 . VAL B 3 ? 0.7475 0.9220 0.8822 -0.0892 -0.0353 -0.0121 381 VAL B CG1 1659 C CG2 . VAL B 3 ? 0.8514 1.0489 0.8920 0.0079 0.0425 -0.0314 381 VAL B CG2 1660 N N . GLU B 4 ? 0.7642 0.4133 0.5528 -0.0955 -0.0216 0.1872 382 GLU B N 1661 C CA . GLU B 4 ? 0.7192 0.6210 0.6007 -0.0415 0.0008 0.1187 382 GLU B CA 1662 C C . GLU B 4 ? 0.7697 0.6426 0.5843 -0.1181 0.0563 0.1226 382 GLU B C 1663 O O . GLU B 4 ? 0.8708 0.6950 0.5396 -0.1572 0.0102 0.3134 382 GLU B O 1664 C CB . GLU B 4 ? 0.8308 0.6822 0.7463 0.0511 0.0011 0.2032 382 GLU B CB 1665 C CG . GLU B 4 ? 0.8301 0.8483 0.9615 -0.0049 0.0191 0.1082 382 GLU B CG 1666 C CD . GLU B 4 ? 1.0097 0.9281 1.2235 0.0973 0.0548 0.0698 382 GLU B CD 1667 O OE1 . GLU B 4 ? 0.9886 0.9010 1.1774 -0.0422 0.0159 0.0979 382 GLU B OE1 1668 O OE2 . GLU B 4 ? 1.0494 0.9441 1.1648 0.0568 -0.0208 0.0721 382 GLU B OE2 1669 N N . CYS B 5 ? 0.7045 0.4895 0.4126 -0.0417 -0.0468 0.1398 383 CYS B N 1670 C CA . CYS B 5 ? 0.7282 0.5316 0.6062 -0.0833 -0.0150 0.0780 383 CYS B CA 1671 C C . CYS B 5 ? 0.6641 0.5090 0.6059 -0.0358 0.0724 0.1000 383 CYS B C 1672 O O . CYS B 5 ? 0.5896 0.3975 0.8122 -0.1113 0.0743 0.0108 383 CYS B O 1673 C CB . CYS B 5 ? 0.8848 0.5517 0.6286 -0.0625 0.0358 0.0994 383 CYS B CB 1674 S SG . CYS B 5 ? 0.7813 0.4630 0.8065 -0.1440 0.0592 0.1867 383 CYS B SG 1675 N N . ASP B 6 ? 0.6073 0.5195 0.5914 -0.1877 0.0474 0.1073 384 ASP B N 1676 C CA . ASP B 6 ? 0.6023 0.7354 0.6258 -0.0960 -0.0137 0.0873 384 ASP B CA 1677 C C . ASP B 6 ? 0.6395 0.5356 0.6379 -0.0643 0.0122 0.0752 384 ASP B C 1678 O O . ASP B 6 ? 0.8342 0.5507 0.6107 -0.1265 -0.0871 0.0732 384 ASP B O 1679 C CB . ASP B 6 ? 0.7504 0.6382 0.6462 -0.0518 0.0286 0.1597 384 ASP B CB 1680 C CG . ASP B 6 ? 0.7861 0.5334 0.6662 0.0254 0.0616 0.1179 384 ASP B CG 1681 O OD1 . ASP B 6 ? 0.7751 0.3600 0.8127 -0.0274 0.0382 0.0561 384 ASP B OD1 1682 O OD2 . ASP B 6 ? 0.9656 0.5568 0.6200 0.1022 0.0266 0.1735 384 ASP B OD2 1683 N N . PHE B 7 ? 0.5902 0.5716 0.5045 -0.0343 0.0071 0.2321 385 PHE B N 1684 C CA . PHE B 7 ? 0.6462 0.6545 0.5932 -0.0809 -0.0092 0.1444 385 PHE B CA 1685 C C . PHE B 7 ? 0.6596 0.6523 0.7357 -0.0220 -0.0362 0.1620 385 PHE B C 1686 O O . PHE B 7 ? 0.6643 0.3994 0.8121 0.0067 -0.0216 0.2412 385 PHE B O 1687 C CB . PHE B 7 ? 0.6573 0.6858 0.6395 -0.1150 0.0202 0.0525 385 PHE B CB 1688 C CG . PHE B 7 ? 0.7502 0.7334 0.7009 -0.0126 -0.0115 0.0301 385 PHE B CG 1689 C CD1 . PHE B 7 ? 0.7739 0.6497 0.7371 -0.0979 -0.0303 -0.0331 385 PHE B CD1 1690 C CD2 . PHE B 7 ? 0.9186 0.7197 0.7744 -0.0733 -0.1246 -0.0430 385 PHE B CD2 1691 C CE1 . PHE B 7 ? 0.8265 0.6171 0.7711 -0.1208 -0.0655 -0.0355 385 PHE B CE1 1692 C CE2 . PHE B 7 ? 0.9702 0.7566 0.7664 0.0658 -0.0182 0.0232 385 PHE B CE2 1693 C CZ . PHE B 7 ? 0.7725 0.6636 0.6936 -0.0951 -0.1364 0.0314 385 PHE B CZ 1694 N N . SER B 8 ? 0.7999 0.5078 0.7689 0.0103 -0.0062 0.1528 386 SER B N 1695 C CA . SER B 8 ? 0.6695 0.6307 0.6521 -0.1010 -0.0256 0.1187 386 SER B CA 1696 C C . SER B 8 ? 0.6153 0.5869 0.6634 -0.0109 -0.0502 0.1127 386 SER B C 1697 O O . SER B 8 ? 0.5845 0.4987 0.8047 -0.0566 -0.0780 0.1430 386 SER B O 1698 C CB . SER B 8 ? 0.8073 0.5918 0.7929 -0.0538 0.0000 0.2637 386 SER B CB 1699 O OG . SER B 8 ? 0.9339 0.6667 0.9413 -0.1337 0.1828 0.2629 386 SER B OG 1700 N N . PRO B 9 ? 0.6204 0.6716 0.7033 -0.0014 -0.0223 0.0268 387 PRO B N 1701 C CA . PRO B 9 ? 0.6323 0.6264 0.6696 -0.0084 -0.1116 0.1303 387 PRO B CA 1702 C C . PRO B 9 ? 0.6937 0.5526 0.6631 -0.0622 -0.0617 0.1236 387 PRO B C 1703 O O . PRO B 9 ? 0.8728 0.4952 0.6776 -0.0532 -0.1412 0.1219 387 PRO B O 1704 C CB . PRO B 9 ? 0.6182 0.6119 0.6357 -0.0429 -0.0400 0.0870 387 PRO B CB 1705 C CG . PRO B 9 ? 0.6379 0.6743 0.5472 0.0404 -0.1324 0.1545 387 PRO B CG 1706 C CD . PRO B 9 ? 0.6921 0.6721 0.6397 0.0257 -0.0836 0.1012 387 PRO B CD 1707 N N . LEU B 10 ? 0.6361 0.5656 0.6380 0.0055 -0.0825 0.0006 388 LEU B N 1708 C CA . LEU B 10 ? 0.6815 0.6066 0.7096 -0.0001 -0.0072 0.0031 388 LEU B CA 1709 C C . LEU B 10 ? 0.7372 0.6946 0.8310 -0.0050 -0.1037 0.0669 388 LEU B C 1710 O O . LEU B 10 ? 0.7287 0.4496 0.7803 0.0009 -0.1124 0.1755 388 LEU B O 1711 C CB . LEU B 10 ? 0.7597 0.7351 0.7064 -0.0009 -0.0997 0.0026 388 LEU B CB 1712 C CG . LEU B 10 ? 0.8402 0.8612 0.6827 0.0235 -0.0468 0.0737 388 LEU B CG 1713 C CD1 . LEU B 10 ? 0.9911 0.4764 0.8037 0.1260 -0.1780 0.0145 388 LEU B CD1 1714 C CD2 . LEU B 10 ? 0.8961 0.9218 0.5723 0.1343 -0.2725 -0.0438 388 LEU B CD2 1715 N N . LEU B 11 ? 0.8274 0.7004 0.7024 -0.0215 -0.0696 0.1372 389 LEU B N 1716 C CA . LEU B 11 ? 0.8511 0.7116 0.7518 0.0312 -0.0781 0.0091 389 LEU B CA 1717 C C . LEU B 11 ? 0.7369 0.6457 0.7454 0.0581 0.0088 0.0801 389 LEU B C 1718 O O . LEU B 11 ? 0.7707 0.6253 0.7092 -0.0425 -0.0524 0.2869 389 LEU B O 1719 C CB . LEU B 11 ? 0.8809 0.6989 0.7921 -0.0437 -0.0773 0.0095 389 LEU B CB 1720 C CG . LEU B 11 ? 0.7820 0.7313 0.7858 -0.0292 -0.0290 -0.0343 389 LEU B CG 1721 C CD1 . LEU B 11 ? 0.6946 0.7357 0.8960 -0.0188 -0.0713 -0.0093 389 LEU B CD1 1722 C CD2 . LEU B 11 ? 0.7161 0.5518 0.7397 -0.1694 -0.0924 0.0425 389 LEU B CD2 1723 N N . SER B 12 ? 0.7876 0.4902 0.6826 -0.0830 0.0674 0.0941 390 SER B N 1724 C CA . SER B 12 ? 0.7843 0.6455 0.6754 -0.1095 -0.0601 0.0743 390 SER B CA 1725 C C . SER B 12 ? 0.7572 0.6233 0.6467 -0.0555 -0.1103 0.1134 390 SER B C 1726 O O . SER B 12 ? 0.7585 0.7304 0.7699 -0.0278 0.0149 -0.1384 390 SER B O 1727 C CB . SER B 12 ? 0.8239 0.8517 0.7151 -0.1899 0.0112 0.0147 390 SER B CB 1728 O OG . SER B 12 ? 1.0939 0.8556 0.8924 -0.2906 0.0696 0.2192 390 SER B OG 1729 N N . GLY B 13 ? 0.6286 0.5006 0.7389 -0.1374 -0.0556 0.0362 391 GLY B N 1730 C CA . GLY B 13 ? 0.6797 0.5213 0.5857 -0.0851 -0.0085 0.0521 391 GLY B CA 1731 C C . GLY B 13 ? 0.6042 0.5034 0.5682 -0.0878 -0.0490 0.0392 391 GLY B C 1732 O O . GLY B 13 ? 0.6357 0.4474 0.5845 -0.0969 -0.0775 0.0145 391 GLY B O 1733 N N . THR B 14 ? 0.6878 0.4890 0.3880 -0.0632 -0.0536 0.1125 392 THR B N 1734 C CA . THR B 14 ? 0.5544 0.5024 0.4881 -0.0239 -0.0756 0.0513 392 THR B CA 1735 C C . THR B 14 ? 0.5815 0.4046 0.4397 -0.0406 0.0355 0.0317 392 THR B C 1736 O O . THR B 14 ? 0.5260 0.4319 0.6051 -0.0238 0.0532 0.0382 392 THR B O 1737 C CB . THR B 14 ? 0.6081 0.5889 0.5371 -0.1073 -0.1408 0.0926 392 THR B CB 1738 O OG1 . THR B 14 ? 0.8477 0.6348 0.5263 -0.0509 -0.1863 0.0931 392 THR B OG1 1739 C CG2 . THR B 14 ? 0.5190 0.5157 0.4579 0.0172 -0.0762 0.0548 392 THR B CG2 1740 N N . PRO B 15 ? 0.5874 0.3846 0.4759 -0.0014 0.0655 0.0489 393 PRO B N 1741 C CA . PRO B 15 ? 0.5599 0.3558 0.4545 0.0198 0.0441 0.0071 393 PRO B CA 1742 C C . PRO B 15 ? 0.4149 0.3602 0.3728 0.0257 0.0385 0.0532 393 PRO B C 1743 O O . PRO B 15 ? 0.4194 0.2989 0.4111 -0.0062 0.0094 0.0292 393 PRO B O 1744 C CB . PRO B 15 ? 0.6233 0.3638 0.3909 0.0552 -0.0022 0.0731 393 PRO B CB 1745 C CG . PRO B 15 ? 0.6788 0.3668 0.4662 0.0622 0.0030 0.1383 393 PRO B CG 1746 C CD . PRO B 15 ? 0.6580 0.1242 0.4819 0.0619 -0.0137 0.1109 393 PRO B CD 1747 N N . PRO B 16 ? 0.3930 0.3819 0.4042 0.0207 0.0067 0.0156 394 PRO B N 1748 C CA . PRO B 16 ? 0.3700 0.4035 0.3740 -0.0031 -0.0658 0.0599 394 PRO B CA 1749 C C . PRO B 16 ? 0.4359 0.3334 0.3456 -0.0249 -0.0274 0.0194 394 PRO B C 1750 O O . PRO B 16 ? 0.4474 0.3768 0.3291 -0.0113 0.0425 0.0674 394 PRO B O 1751 C CB . PRO B 16 ? 0.3975 0.3352 0.3575 0.0193 -0.0272 0.0365 394 PRO B CB 1752 C CG . PRO B 16 ? 0.3763 0.3834 0.4132 0.0494 -0.0499 -0.0086 394 PRO B CG 1753 C CD . PRO B 16 ? 0.4145 0.3619 0.3735 0.0101 -0.0220 -0.0034 394 PRO B CD 1754 N N . GLN B 17 ? 0.3798 0.3342 0.3287 -0.0136 -0.0618 0.0244 395 GLN B N 1755 C CA . GLN B 17 ? 0.3353 0.3549 0.3254 0.0218 -0.0244 0.0086 395 GLN B CA 1756 C C . GLN B 17 ? 0.3556 0.3195 0.2821 -0.0111 -0.0044 0.0065 395 GLN B C 1757 O O . GLN B 17 ? 0.3721 0.3108 0.3953 -0.0062 -0.0365 0.0186 395 GLN B O 1758 C CB . GLN B 17 ? 0.2842 0.3627 0.3604 -0.0029 -0.0167 0.0258 395 GLN B CB 1759 C CG . GLN B 17 ? 0.3226 0.3529 0.3441 -0.0135 -0.0384 0.0077 395 GLN B CG 1760 C CD . GLN B 17 ? 0.3440 0.3591 0.3882 -0.0006 -0.0056 0.0483 395 GLN B CD 1761 O OE1 . GLN B 17 ? 0.4779 0.3131 0.3567 0.0344 0.0250 0.0991 395 GLN B OE1 1762 N NE2 . GLN B 17 ? 0.5122 0.3865 0.3883 -0.0243 -0.0579 0.1052 395 GLN B NE2 1763 N N . VAL B 18 ? 0.3692 0.3006 0.3254 -0.0184 0.0091 0.0239 396 VAL B N 1764 C CA . VAL B 18 ? 0.3514 0.2997 0.3291 -0.0264 0.0111 0.0362 396 VAL B CA 1765 C C . VAL B 18 ? 0.3442 0.3191 0.2910 -0.0236 -0.0062 0.0338 396 VAL B C 1766 O O . VAL B 18 ? 0.3747 0.3682 0.3289 -0.0032 -0.0295 0.0224 396 VAL B O 1767 C CB . VAL B 18 ? 0.3563 0.3064 0.2607 -0.0173 -0.0091 0.0285 396 VAL B CB 1768 C CG1 . VAL B 18 ? 0.2886 0.3917 0.2001 -0.0232 -0.0527 0.0992 396 VAL B CG1 1769 C CG2 . VAL B 18 ? 0.3847 0.3149 0.2197 -0.0458 -0.0415 -0.0183 396 VAL B CG2 1770 N N . TYR B 19 ? 0.3998 0.2596 0.3088 -0.0279 0.0317 0.0193 397 TYR B N 1771 C CA . TYR B 19 ? 0.3143 0.2863 0.2993 -0.0033 -0.0060 0.0566 397 TYR B CA 1772 C C . TYR B 19 ? 0.3091 0.3469 0.3695 -0.0185 0.0002 0.0407 397 TYR B C 1773 O O . TYR B 19 ? 0.3373 0.3420 0.3398 -0.0210 0.0205 0.0583 397 TYR B O 1774 C CB . TYR B 19 ? 0.3425 0.3067 0.2977 -0.0067 0.0005 0.0575 397 TYR B CB 1775 C CG . TYR B 19 ? 0.3149 0.3368 0.3057 -0.0160 -0.0154 0.0402 397 TYR B CG 1776 C CD1 . TYR B 19 ? 0.2936 0.3240 0.3131 -0.0434 0.0264 0.0722 397 TYR B CD1 1777 C CD2 . TYR B 19 ? 0.3402 0.3249 0.3051 -0.0063 -0.0021 -0.0008 397 TYR B CD2 1778 C CE1 . TYR B 19 ? 0.3437 0.3772 0.3616 -0.0173 0.0012 0.0793 397 TYR B CE1 1779 C CE2 . TYR B 19 ? 0.3716 0.4027 0.3391 0.0124 -0.0238 0.0013 397 TYR B CE2 1780 C CZ . TYR B 19 ? 0.3786 0.3695 0.3410 0.0121 0.0087 0.0175 397 TYR B CZ 1781 O OH . TYR B 19 ? 0.4437 0.4533 0.2671 -0.0428 -0.0219 0.0267 397 TYR B OH 1782 N N . ASN B 20 ? 0.3905 0.3328 0.3878 -0.0314 -0.0169 0.0140 398 ASN B N 1783 C CA . ASN B 20 ? 0.3956 0.3204 0.4039 -0.0076 0.0102 0.0034 398 ASN B CA 1784 C C . ASN B 20 ? 0.3946 0.4257 0.3556 -0.0374 -0.0463 0.0400 398 ASN B C 1785 O O . ASN B 20 ? 0.4052 0.4059 0.4203 -0.0210 -0.0333 0.0635 398 ASN B O 1786 C CB . ASN B 20 ? 0.5713 0.4114 0.4256 -0.0017 -0.0654 0.0080 398 ASN B CB 1787 C CG . ASN B 20 ? 0.5445 0.5508 0.3757 0.0201 0.0199 -0.0053 398 ASN B CG 1788 O OD1 . ASN B 20 ? 0.5983 0.5490 0.4871 0.0178 0.0625 0.0115 398 ASN B OD1 1789 N ND2 . ASN B 20 ? 0.5122 0.5629 0.4651 -0.0278 0.0270 0.0986 398 ASN B ND2 1790 N N . PHE B 21 ? 0.3910 0.3798 0.3486 -0.0391 -0.0010 0.0530 399 PHE B N 1791 C CA . PHE B 21 ? 0.3850 0.3506 0.3575 -0.0198 -0.0277 0.0562 399 PHE B CA 1792 C C . PHE B 21 ? 0.3794 0.3433 0.3843 0.0102 0.0197 0.0313 399 PHE B C 1793 O O . PHE B 21 ? 0.3620 0.4345 0.3626 0.0280 0.0207 0.0057 399 PHE B O 1794 C CB . PHE B 21 ? 0.4045 0.3025 0.3341 0.0049 0.0729 0.0047 399 PHE B CB 1795 C CG . PHE B 21 ? 0.3583 0.3436 0.3281 0.0015 -0.0003 0.0635 399 PHE B CG 1796 C CD1 . PHE B 21 ? 0.4066 0.3533 0.2893 0.0219 -0.0135 0.0199 399 PHE B CD1 1797 C CD2 . PHE B 21 ? 0.3632 0.3228 0.3520 -0.0113 0.0284 -0.0076 399 PHE B CD2 1798 C CE1 . PHE B 21 ? 0.3764 0.3527 0.3806 -0.0092 -0.0264 0.0432 399 PHE B CE1 1799 C CE2 . PHE B 21 ? 0.3401 0.3852 0.3882 -0.0087 -0.0137 0.0602 399 PHE B CE2 1800 C CZ . PHE B 21 ? 0.3876 0.3963 0.3983 -0.0157 -0.0231 0.0409 399 PHE B CZ 1801 N N . LYS B 22 ? 0.4468 0.3394 0.3228 -0.0660 -0.0121 0.0926 400 LYS B N 1802 C CA . LYS B 22 ? 0.3674 0.4130 0.4096 -0.0256 -0.0049 0.0952 400 LYS B CA 1803 C C . LYS B 22 ? 0.4185 0.2790 0.3963 -0.0166 0.0143 0.0859 400 LYS B C 1804 O O . LYS B 22 ? 0.5264 0.3823 0.3630 -0.0266 -0.0243 0.0458 400 LYS B O 1805 C CB . LYS B 22 ? 0.4926 0.3992 0.4859 -0.0325 -0.0665 0.0919 400 LYS B CB 1806 C CG . LYS B 22 ? 0.5305 0.5485 0.6612 -0.0887 0.0748 0.1166 400 LYS B CG 1807 C CD . LYS B 22 ? 0.7428 0.8798 0.6479 -0.1199 0.1515 0.0724 400 LYS B CD 1808 C CE . LYS B 22 ? 0.7467 0.9260 0.5492 -0.1767 0.0968 0.0225 400 LYS B CE 1809 N NZ . LYS B 22 ? 0.6633 1.0060 0.8444 -0.2016 0.1489 -0.0304 400 LYS B NZ 1810 N N . ARG B 23 ? 0.4164 0.3105 0.4672 -0.0435 -0.0216 0.0825 401 ARG B N 1811 C CA . ARG B 23 ? 0.4477 0.4007 0.4602 -0.0090 -0.0351 0.0598 401 ARG B CA 1812 C C . ARG B 23 ? 0.4634 0.3945 0.4191 -0.0138 -0.0220 0.0851 401 ARG B C 1813 O O . ARG B 23 ? 0.4530 0.4185 0.4941 -0.0661 0.0168 0.1054 401 ARG B O 1814 C CB . ARG B 23 ? 0.4188 0.3931 0.4890 -0.0150 0.0185 0.1168 401 ARG B CB 1815 C CG . ARG B 23 ? 0.4684 0.4042 0.4078 -0.1189 -0.0023 0.0927 401 ARG B CG 1816 C CD . ARG B 23 ? 0.4923 0.4080 0.3524 -0.0046 0.0579 0.0399 401 ARG B CD 1817 N NE . ARG B 23 ? 0.4049 0.3679 0.5003 -0.0497 0.0164 0.0404 401 ARG B NE 1818 C CZ . ARG B 23 ? 0.4253 0.4032 0.4989 -0.0155 0.0227 0.0660 401 ARG B CZ 1819 N NH1 . ARG B 23 ? 0.5508 0.3785 0.5686 0.0145 0.1280 0.0640 401 ARG B NH1 1820 N NH2 . ARG B 23 ? 0.4515 0.3468 0.3810 0.0152 0.0466 0.0087 401 ARG B NH2 1821 N N . LEU B 24 ? 0.5069 0.3900 0.4623 0.0137 -0.0241 0.0494 402 LEU B N 1822 C CA . LEU B 24 ? 0.5247 0.4707 0.4393 -0.0150 -0.0197 0.0305 402 LEU B CA 1823 C C . LEU B 24 ? 0.4879 0.4481 0.4395 0.0188 0.0152 0.0288 402 LEU B C 1824 O O . LEU B 24 ? 0.5641 0.3256 0.4133 -0.0467 -0.0377 0.0596 402 LEU B O 1825 C CB . LEU B 24 ? 0.5364 0.4739 0.3574 -0.0182 0.0095 0.0136 402 LEU B CB 1826 C CG . LEU B 24 ? 0.6089 0.5260 0.4978 0.0776 0.0038 0.0507 402 LEU B CG 1827 C CD1 . LEU B 24 ? 0.5213 0.5887 0.4533 0.1132 -0.0237 -0.0029 402 LEU B CD1 1828 C CD2 . LEU B 24 ? 0.6595 0.6367 0.5083 -0.0214 -0.0166 0.1382 402 LEU B CD2 1829 N N . VAL B 25 ? 0.4664 0.4042 0.5156 -0.0650 0.0178 0.0681 403 VAL B N 1830 C CA . VAL B 25 ? 0.5043 0.4823 0.4666 -0.0437 0.0030 0.0304 403 VAL B CA 1831 C C . VAL B 25 ? 0.5380 0.5044 0.4965 -0.0745 0.0009 0.0638 403 VAL B C 1832 O O . VAL B 25 ? 0.5485 0.5297 0.5097 -0.1202 -0.0008 0.0575 403 VAL B O 1833 C CB . VAL B 25 ? 0.4899 0.5434 0.5078 -0.0281 -0.0050 0.0152 403 VAL B CB 1834 C CG1 . VAL B 25 ? 0.4266 0.5260 0.4935 -0.1084 -0.0068 0.0455 403 VAL B CG1 1835 C CG2 . VAL B 25 ? 0.4387 0.6024 0.4447 -0.0699 0.0091 0.0332 403 VAL B CG2 1836 N N . PHE B 26 ? 0.4583 0.4942 0.4961 -0.0318 0.0162 0.0648 404 PHE B N 1837 C CA . PHE B 26 ? 0.5638 0.4283 0.4876 -0.0075 0.0081 0.0668 404 PHE B CA 1838 C C . PHE B 26 ? 0.4851 0.5188 0.4273 -0.0525 0.0462 0.0340 404 PHE B C 1839 O O . PHE B 26 ? 0.6101 0.4303 0.4076 -0.0706 0.0209 0.0128 404 PHE B O 1840 C CB . PHE B 26 ? 0.5548 0.4187 0.4292 -0.0267 0.0685 0.1286 404 PHE B CB 1841 C CG . PHE B 26 ? 0.4996 0.4955 0.5316 -0.0279 0.0187 0.1047 404 PHE B CG 1842 C CD1 . PHE B 26 ? 0.5533 0.4408 0.5394 -0.1149 0.0294 0.0567 404 PHE B CD1 1843 C CD2 . PHE B 26 ? 0.5804 0.4918 0.5372 -0.1557 -0.0317 0.0774 404 PHE B CD2 1844 C CE1 . PHE B 26 ? 0.5925 0.4414 0.5364 -0.1506 0.0256 0.0803 404 PHE B CE1 1845 C CE2 . PHE B 26 ? 0.6132 0.4640 0.5054 -0.1538 -0.0453 -0.0168 404 PHE B CE2 1846 C CZ . PHE B 26 ? 0.6058 0.5080 0.4988 -0.1519 -0.0186 0.0042 404 PHE B CZ 1847 N N . THR B 27 ? 0.5766 0.3139 0.3670 -0.1424 0.0876 0.0818 405 THR B N 1848 C CA . THR B 27 ? 0.4981 0.5495 0.5074 -0.0773 0.0924 0.0615 405 THR B CA 1849 C C . THR B 27 ? 0.5838 0.6077 0.5845 -0.1321 0.0215 0.0519 405 THR B C 1850 O O . THR B 27 ? 0.7481 0.6108 0.6278 -0.1749 0.1109 0.1063 405 THR B O 1851 C CB . THR B 27 ? 0.5514 0.5056 0.5211 -0.0528 0.0620 0.0884 405 THR B CB 1852 O OG1 . THR B 27 ? 0.5572 0.5885 0.5235 -0.1712 0.0599 0.0512 405 THR B OG1 1853 C CG2 . THR B 27 ? 0.5913 0.4701 0.4069 -0.0712 0.1311 0.2530 405 THR B CG2 1854 N N . ASN B 28 ? 0.6628 0.7406 0.6143 -0.0841 -0.0585 0.1193 406 ASN B N 1855 C CA . ASN B 28 ? 0.7106 0.6531 0.7260 -0.0552 -0.0350 0.0529 406 ASN B CA 1856 C C . ASN B 28 ? 0.5896 0.6332 0.6222 -0.0933 0.0379 0.0255 406 ASN B C 1857 O O . ASN B 28 ? 0.7096 0.6960 0.5535 -0.1661 0.0570 0.0073 406 ASN B O 1858 C CB . ASN B 28 ? 0.6990 0.6878 0.6713 -0.1332 0.0016 0.1276 406 ASN B CB 1859 C CG . ASN B 28 ? 0.7231 0.8398 0.8971 -0.1429 0.0234 0.0319 406 ASN B CG 1860 O OD1 . ASN B 28 ? 0.9383 0.7525 0.9523 -0.1771 0.0715 0.0228 406 ASN B OD1 1861 N ND2 . ASN B 28 ? 0.7814 0.6544 1.0526 -0.2356 0.0710 0.0625 406 ASN B ND2 1862 N N . CYS B 29 ? 0.5605 0.5458 0.6242 -0.0924 0.0237 0.0512 407 CYS B N 1863 C CA . CYS B 29 ? 0.5819 0.3895 0.5527 -0.2170 0.0688 0.1212 407 CYS B CA 1864 C C . CYS B 29 ? 0.5902 0.4882 0.5806 -0.0891 0.0428 0.0727 407 CYS B C 1865 O O . CYS B 29 ? 0.5359 0.4999 0.5688 -0.1821 0.0544 0.0468 407 CYS B O 1866 C CB . CYS B 29 ? 0.5916 0.4456 0.6273 -0.1069 -0.0089 0.0250 407 CYS B CB 1867 S SG . CYS B 29 ? 0.7746 0.4368 0.6589 -0.1792 -0.0041 0.0519 407 CYS B SG 1868 N N . ASN B 30 ? 0.6248 0.3898 0.5858 -0.1709 0.0898 0.1723 408 ASN B N 1869 C CA . ASN B 30 ? 0.5777 0.4832 0.5788 -0.0659 0.0057 0.0796 408 ASN B CA 1870 C C . ASN B 30 ? 0.5434 0.4774 0.6137 -0.1697 -0.0298 0.0433 408 ASN B C 1871 O O . ASN B 30 ? 0.6373 0.6526 0.6269 -0.2526 -0.0699 0.0842 408 ASN B O 1872 C CB . ASN B 30 ? 0.6813 0.6166 0.6494 -0.1818 -0.0223 0.0308 408 ASN B CB 1873 C CG . ASN B 30 ? 0.6955 0.7490 0.7773 -0.0809 0.0032 0.0592 408 ASN B CG 1874 O OD1 . ASN B 30 ? 0.8806 0.9092 0.7252 -0.1086 -0.0098 0.1007 408 ASN B OD1 1875 N ND2 . ASN B 30 ? 0.7111 0.7207 0.8279 -0.1830 -0.0875 0.0569 408 ASN B ND2 1876 N N . TYR B 31 ? 0.5459 0.4815 0.4547 -0.0456 -0.0285 0.1372 409 TYR B N 1877 C CA . TYR B 31 ? 0.5392 0.4827 0.4375 -0.0521 -0.0105 0.0883 409 TYR B CA 1878 C C . TYR B 31 ? 0.5265 0.4029 0.4825 -0.0335 -0.0061 0.1100 409 TYR B C 1879 O O . TYR B 31 ? 0.5512 0.3719 0.5002 -0.0919 -0.0251 0.1319 409 TYR B O 1880 C CB . TYR B 31 ? 0.5453 0.5009 0.4346 -0.0737 -0.0938 0.0935 409 TYR B CB 1881 C CG . TYR B 31 ? 0.5046 0.3562 0.4496 -0.0719 -0.0173 0.0386 409 TYR B CG 1882 C CD1 . TYR B 31 ? 0.4522 0.2914 0.4920 -0.1216 -0.0359 0.0101 409 TYR B CD1 1883 C CD2 . TYR B 31 ? 0.4780 0.3435 0.4727 -0.0557 -0.0185 0.0140 409 TYR B CD2 1884 C CE1 . TYR B 31 ? 0.4909 0.3504 0.4952 -0.0546 -0.0377 0.0333 409 TYR B CE1 1885 C CE2 . TYR B 31 ? 0.4395 0.3026 0.4456 -0.0206 -0.0516 -0.0082 409 TYR B CE2 1886 C CZ . TYR B 31 ? 0.4591 0.3480 0.4345 -0.0643 -0.0345 -0.0008 409 TYR B CZ 1887 O OH . TYR B 31 ? 0.5493 0.3340 0.4668 0.0175 -0.0408 0.0202 409 TYR B OH 1888 N N . ASN B 32 ? 0.5455 0.4225 0.4942 -0.0599 -0.0411 0.1227 410 ASN B N 1889 C CA . ASN B 32 ? 0.5848 0.5192 0.6188 -0.0263 -0.0151 0.0488 410 ASN B CA 1890 C C . ASN B 32 ? 0.5639 0.5017 0.6431 -0.0026 -0.0388 0.0578 410 ASN B C 1891 O O . ASN B 32 ? 0.6068 0.4215 0.6092 -0.0774 -0.0268 0.0861 410 ASN B O 1892 C CB . ASN B 32 ? 0.6349 0.5140 0.6232 0.0386 -0.0941 -0.0352 410 ASN B CB 1893 C CG . ASN B 32 ? 0.6185 0.6646 0.6981 0.0447 -0.0296 0.0249 410 ASN B CG 1894 O OD1 . ASN B 32 ? 0.7220 0.3411 0.6135 0.0144 -0.1241 -0.0111 410 ASN B OD1 1895 N ND2 . ASN B 32 ? 0.7072 0.8193 0.9063 -0.0275 -0.1547 -0.1286 410 ASN B ND2 1896 N N . LEU B 33 ? 0.5949 0.5913 0.6070 -0.0404 -0.0514 0.0928 411 LEU B N 1897 C CA . LEU B 33 ? 0.5856 0.5737 0.6723 -0.0428 -0.0143 0.0397 411 LEU B CA 1898 C C . LEU B 33 ? 0.6760 0.4440 0.6084 0.0015 -0.0578 0.0181 411 LEU B C 1899 O O . LEU B 33 ? 0.7726 0.3461 0.5898 -0.0825 -0.0876 0.0240 411 LEU B O 1900 C CB . LEU B 33 ? 0.6511 0.5343 0.5964 -0.0262 -0.0471 0.0088 411 LEU B CB 1901 C CG . LEU B 33 ? 0.6689 0.4685 0.5719 -0.0173 -0.0398 0.0389 411 LEU B CG 1902 C CD1 . LEU B 33 ? 0.6805 0.3327 0.5619 0.0252 0.0306 0.1135 411 LEU B CD1 1903 C CD2 . LEU B 33 ? 0.6176 0.5087 0.4536 -0.0555 0.0355 0.0494 411 LEU B CD2 1904 N N . THR B 34 ? 0.6893 0.4029 0.5930 -0.0119 -0.0400 0.0272 412 THR B N 1905 C CA . THR B 34 ? 0.7395 0.5093 0.6451 0.0670 -0.0575 -0.0236 412 THR B CA 1906 C C . THR B 34 ? 0.6199 0.5083 0.5754 0.0043 0.0016 -0.0218 412 THR B C 1907 O O . THR B 34 ? 0.6965 0.4248 0.8556 0.1132 -0.0668 -0.0458 412 THR B O 1908 C CB . THR B 34 ? 0.7307 0.7437 0.6129 0.1034 -0.0488 -0.0924 412 THR B CB 1909 O OG1 . THR B 34 ? 0.9256 0.7740 0.5352 -0.0402 0.0578 -0.0744 412 THR B OG1 1910 C CG2 . THR B 34 ? 0.7334 0.6494 0.6146 0.0176 -0.0614 -0.2605 412 THR B CG2 1911 N N . LYS B 35 ? 0.6810 0.4159 0.6604 -0.0921 0.0016 -0.0404 413 LYS B N 1912 C CA . LYS B 35 ? 0.7207 0.5856 0.6198 -0.0213 -0.0756 0.0214 413 LYS B CA 1913 C C . LYS B 35 ? 0.6993 0.4747 0.6552 0.0092 -0.0814 0.0213 413 LYS B C 1914 O O . LYS B 35 ? 0.7303 0.3844 0.8093 0.0731 -0.1215 -0.0981 413 LYS B O 1915 C CB . LYS B 35 ? 0.7382 0.7386 0.7639 -0.0128 -0.0150 0.1032 413 LYS B CB 1916 C CG . LYS B 35 ? 0.8926 0.9434 0.6956 -0.1129 -0.0748 0.2286 413 LYS B CG 1917 C CD . LYS B 35 ? 0.9341 1.2196 0.8473 -0.1052 0.0530 0.2349 413 LYS B CD 1918 C CE . LYS B 35 ? 0.9723 1.2195 1.0715 -0.2294 0.2529 0.1175 413 LYS B CE 1919 N NZ . LYS B 35 ? 0.9780 1.2382 1.3889 -0.4352 0.2722 -0.0304 413 LYS B NZ 1920 N N . LEU B 36 ? 0.6774 0.5333 0.5673 0.0456 -0.0331 0.0335 414 LEU B N 1921 C CA . LEU B 36 ? 0.6392 0.5923 0.6000 0.0333 0.0192 -0.0276 414 LEU B CA 1922 C C . LEU B 36 ? 0.6174 0.5210 0.5298 0.0533 0.0372 -0.0338 414 LEU B C 1923 O O . LEU B 36 ? 0.7894 0.3793 0.5409 0.0301 -0.0238 0.0284 414 LEU B O 1924 C CB . LEU B 36 ? 0.7397 0.5839 0.4475 0.0755 -0.0144 0.0300 414 LEU B CB 1925 C CG . LEU B 36 ? 0.8039 0.5722 0.5875 0.0358 -0.0033 -0.0386 414 LEU B CG 1926 C CD1 . LEU B 36 ? 0.7627 0.4230 0.5580 0.0805 0.0363 -0.1094 414 LEU B CD1 1927 C CD2 . LEU B 36 ? 0.8029 0.5214 0.4846 -0.0288 0.0089 -0.0049 414 LEU B CD2 1928 N N . LEU B 37 ? 0.5220 0.2978 0.4905 0.0778 0.0171 -0.0675 415 LEU B N 1929 C CA . LEU B 37 ? 0.5710 0.4112 0.6314 -0.0339 -0.0218 0.0149 415 LEU B CA 1930 C C . LEU B 37 ? 0.5796 0.4915 0.6648 0.0423 -0.0894 0.0495 415 LEU B C 1931 O O . LEU B 37 ? 0.6456 0.3979 0.7322 -0.0281 -0.2020 0.1584 415 LEU B O 1932 C CB . LEU B 37 ? 0.7309 0.5256 0.5617 0.0868 -0.0809 0.0104 415 LEU B CB 1933 C CG . LEU B 37 ? 0.6328 0.4247 0.5731 -0.0155 -0.0612 0.0302 415 LEU B CG 1934 C CD1 . LEU B 37 ? 0.6144 0.4336 0.4770 0.0361 -0.0391 -0.0243 415 LEU B CD1 1935 C CD2 . LEU B 37 ? 0.6856 0.3277 0.4914 0.0692 -0.0534 0.0361 415 LEU B CD2 1936 N N . SER B 38 ? 0.5989 0.4633 0.5262 0.0081 -0.0732 0.1112 416 SER B N 1937 C CA . SER B 38 ? 0.7162 0.5030 0.7143 0.0470 -0.1060 0.0399 416 SER B CA 1938 C C . SER B 38 ? 0.7358 0.5603 0.6362 0.0552 -0.0341 0.0165 416 SER B C 1939 O O . SER B 38 ? 0.8011 0.4656 0.7621 0.0764 -0.0340 0.0480 416 SER B O 1940 C CB . SER B 38 ? 0.6999 0.4950 0.8403 0.0228 -0.0748 0.0102 416 SER B CB 1941 O OG . SER B 38 ? 0.7827 0.4745 0.9252 0.0708 -0.0473 0.1620 416 SER B OG 1942 N N . LEU B 39 ? 0.7298 0.4634 0.6320 -0.0072 0.0237 0.1410 417 LEU B N 1943 C CA . LEU B 39 ? 0.7050 0.4279 0.6459 -0.0216 0.0093 0.1241 417 LEU B CA 1944 C C . LEU B 39 ? 0.7237 0.5002 0.6238 0.0105 -0.1098 0.1012 417 LEU B C 1945 O O . LEU B 39 ? 0.8829 0.2459 0.7115 0.1009 -0.1088 0.1855 417 LEU B O 1946 C CB . LEU B 39 ? 0.7253 0.4012 0.6583 0.0920 0.0037 0.1176 417 LEU B CB 1947 C CG . LEU B 39 ? 0.6907 0.5881 0.6516 0.0714 0.0438 0.1092 417 LEU B CG 1948 C CD1 . LEU B 39 ? 0.7991 0.6568 0.6596 0.2685 0.0056 -0.0081 417 LEU B CD1 1949 C CD2 . LEU B 39 ? 0.8888 0.5914 0.8007 0.1155 0.0438 0.2260 417 LEU B CD2 1950 N N . PHE B 40 ? 0.6893 0.4899 0.6822 -0.0349 -0.0677 0.0823 418 PHE B N 1951 C CA . PHE B 40 ? 0.5999 0.4827 0.6004 0.0405 -0.0121 0.0592 418 PHE B CA 1952 C C . PHE B 40 ? 0.5022 0.4012 0.5801 0.0540 -0.0484 0.0241 418 PHE B C 1953 O O . PHE B 40 ? 0.7829 0.4596 0.6648 0.0780 -0.0987 -0.0412 418 PHE B O 1954 C CB . PHE B 40 ? 0.6259 0.4254 0.4502 -0.0012 -0.0059 0.0536 418 PHE B CB 1955 C CG . PHE B 40 ? 0.5027 0.3008 0.4773 0.0747 -0.0345 0.0649 418 PHE B CG 1956 C CD1 . PHE B 40 ? 0.5116 0.3291 0.4905 0.1103 -0.0297 0.0884 418 PHE B CD1 1957 C CD2 . PHE B 40 ? 0.5715 0.3363 0.4818 0.1304 -0.0235 0.0019 418 PHE B CD2 1958 C CE1 . PHE B 40 ? 0.5730 0.2820 0.4457 0.0521 -0.0093 0.0248 418 PHE B CE1 1959 C CE2 . PHE B 40 ? 0.4649 0.3004 0.5050 0.0915 -0.0168 -0.0067 418 PHE B CE2 1960 C CZ . PHE B 40 ? 0.5141 0.3211 0.5345 0.0346 -0.1088 0.0991 418 PHE B CZ 1961 N N . SER B 41 ? 0.5652 0.3306 0.5003 -0.0195 -0.0646 0.0477 419 SER B N 1962 C CA . SER B 41 ? 0.5538 0.4423 0.5481 0.0332 -0.0177 -0.0115 419 SER B CA 1963 C C . SER B 41 ? 0.6152 0.4414 0.4913 -0.0007 -0.1116 -0.0186 419 SER B C 1964 O O . SER B 41 ? 0.6710 0.3064 0.4494 0.0361 -0.1105 -0.0043 419 SER B O 1965 C CB . SER B 41 ? 0.5447 0.5078 0.5564 0.0794 -0.0019 -0.0885 419 SER B CB 1966 O OG . SER B 41 ? 0.6453 0.4952 0.7245 0.1483 0.1003 0.0852 419 SER B OG 1967 N N . VAL B 42 ? 0.5979 0.4750 0.5022 0.0879 -0.0828 0.0028 420 VAL B N 1968 C CA . VAL B 42 ? 0.5568 0.4486 0.4218 0.0156 -0.0333 -0.0087 420 VAL B CA 1969 C C . VAL B 42 ? 0.5441 0.4047 0.4702 0.0408 -0.0082 -0.0102 420 VAL B C 1970 O O . VAL B 42 ? 0.6600 0.4863 0.4443 0.0579 0.0264 0.0125 420 VAL B O 1971 C CB . VAL B 42 ? 0.5158 0.4601 0.4885 0.0223 -0.0357 -0.0283 420 VAL B CB 1972 C CG1 . VAL B 42 ? 0.6498 0.5159 0.2953 0.0357 -0.0871 -0.0275 420 VAL B CG1 1973 C CG2 . VAL B 42 ? 0.5563 0.3929 0.4110 -0.0145 -0.0203 -0.0327 420 VAL B CG2 1974 N N . ASN B 43 ? 0.4394 0.3578 0.4168 0.0835 -0.0445 0.0341 421 ASN B N 1975 C CA . ASN B 43 ? 0.4068 0.4018 0.4609 0.1139 -0.0060 0.0104 421 ASN B CA 1976 C C . ASN B 43 ? 0.4245 0.4227 0.3587 0.0552 0.0129 0.0181 421 ASN B C 1977 O O . ASN B 43 ? 0.4447 0.4129 0.4517 0.0655 0.0627 0.0457 421 ASN B O 1978 C CB . ASN B 43 ? 0.4266 0.4367 0.4619 0.1732 -0.0409 0.0066 421 ASN B CB 1979 C CG . ASN B 43 ? 0.5390 0.4577 0.5590 0.2152 -0.0249 0.0390 421 ASN B CG 1980 O OD1 . ASN B 43 ? 0.6369 0.6332 0.5823 0.1039 -0.0140 0.0679 421 ASN B OD1 1981 N ND2 . ASN B 43 ? 0.6211 0.3087 0.7422 0.3085 -0.1401 0.1071 421 ASN B ND2 1982 N N . ASP B 44 ? 0.4217 0.4101 0.3745 0.0435 -0.0416 -0.0303 422 ASP B N 1983 C CA . ASP B 44 ? 0.4207 0.4329 0.3945 0.0564 0.0068 0.0090 422 ASP B CA 1984 C C . ASP B 44 ? 0.4386 0.3980 0.4479 0.1028 -0.0396 -0.0022 422 ASP B C 1985 O O . ASP B 44 ? 0.3727 0.4561 0.4680 0.1790 -0.0538 0.0288 422 ASP B O 1986 C CB . ASP B 44 ? 0.4496 0.4805 0.4202 0.0372 0.0306 -0.0683 422 ASP B CB 1987 C CG . ASP B 44 ? 0.6692 0.5947 0.6318 0.0558 -0.0497 0.0071 422 ASP B CG 1988 O OD1 . ASP B 44 ? 0.7354 0.8427 0.7282 0.1274 0.0376 -0.1325 422 ASP B OD1 1989 O OD2 . ASP B 44 ? 0.6967 0.6795 0.8091 0.1125 -0.1421 -0.0650 422 ASP B OD2 1990 N N . PHE B 45 ? 0.4461 0.4353 0.3963 0.0647 0.0007 0.0201 423 PHE B N 1991 C CA . PHE B 45 ? 0.4339 0.4127 0.4528 0.0240 -0.0197 0.0133 423 PHE B CA 1992 C C . PHE B 45 ? 0.5109 0.4518 0.4014 0.0243 -0.0529 0.0068 423 PHE B C 1993 O O . PHE B 45 ? 0.4653 0.5600 0.3733 0.0145 -0.0953 0.0454 423 PHE B O 1994 C CB . PHE B 45 ? 0.3825 0.4252 0.3776 0.0346 0.0611 -0.0115 423 PHE B CB 1995 C CG . PHE B 45 ? 0.3977 0.4072 0.4220 0.0094 -0.0236 0.0005 423 PHE B CG 1996 C CD1 . PHE B 45 ? 0.4209 0.4012 0.4127 0.0276 0.0123 -0.0380 423 PHE B CD1 1997 C CD2 . PHE B 45 ? 0.4267 0.3881 0.3358 0.0383 0.0762 -0.0031 423 PHE B CD2 1998 C CE1 . PHE B 45 ? 0.4387 0.3930 0.3666 0.0182 -0.0218 -0.0013 423 PHE B CE1 1999 C CE2 . PHE B 45 ? 0.4448 0.4423 0.4488 0.0024 -0.0304 0.0509 423 PHE B CE2 2000 C CZ . PHE B 45 ? 0.4924 0.4308 0.4855 0.0018 -0.0475 0.0080 423 PHE B CZ 2001 N N . THR B 46 ? 0.3558 0.4358 0.4258 0.0890 -0.0534 0.0175 424 THR B N 2002 C CA . THR B 46 ? 0.4030 0.4815 0.4384 0.0732 -0.0224 0.0393 424 THR B CA 2003 C C . THR B 46 ? 0.4168 0.4575 0.3987 0.0792 0.0114 0.0372 424 THR B C 2004 O O . THR B 46 ? 0.3666 0.4833 0.4001 0.1308 -0.0038 0.1159 424 THR B O 2005 C CB . THR B 46 ? 0.4078 0.5042 0.5021 0.0554 -0.0014 -0.0048 424 THR B CB 2006 O OG1 . THR B 46 ? 0.6345 0.7226 0.5877 0.1023 0.0060 -0.0833 424 THR B OG1 2007 C CG2 . THR B 46 ? 0.4148 0.3713 0.5718 0.1423 -0.1676 0.0663 424 THR B CG2 2008 N N . CYS B 47 ? 0.3753 0.4400 0.3871 0.0081 -0.0128 0.0583 425 CYS B N 2009 C CA . CYS B 47 ? 0.4267 0.3682 0.4299 0.0378 -0.0017 0.0262 425 CYS B CA 2010 C C . CYS B 47 ? 0.3565 0.3907 0.4154 0.0312 0.0375 0.0580 425 CYS B C 2011 O O . CYS B 47 ? 0.3276 0.3564 0.3313 0.0341 -0.0179 0.0662 425 CYS B O 2012 C CB . CYS B 47 ? 0.3205 0.3991 0.3703 0.0314 -0.0169 0.0627 425 CYS B CB 2013 S SG . CYS B 47 ? 0.5269 0.3526 0.5114 0.0910 -0.0239 0.0130 425 CYS B SG 2014 N N . SER B 48 ? 0.3495 0.3240 0.3390 0.0062 -0.0057 -0.0036 426 SER B N 2015 C CA . SER B 48 ? 0.3632 0.3757 0.3554 0.0416 -0.0433 0.0216 426 SER B CA 2016 C C . SER B 48 ? 0.3416 0.3342 0.3326 0.0078 0.0037 0.0305 426 SER B C 2017 O O . SER B 48 ? 0.2650 0.3256 0.2626 0.0571 -0.0394 0.0385 426 SER B O 2018 C CB . SER B 48 ? 0.4918 0.4048 0.3968 0.0356 -0.0465 -0.0157 426 SER B CB 2019 O OG . SER B 48 ? 0.5531 0.4354 0.6336 -0.0635 -0.0304 0.0361 426 SER B OG 2020 N N . GLN B 49 ? 0.3356 0.2835 0.3175 -0.0016 -0.0037 0.0061 427 GLN B N 2021 C CA . GLN B 49 ? 0.3496 0.2821 0.3314 0.0009 -0.0154 0.0039 427 GLN B CA 2022 C C . GLN B 49 ? 0.2968 0.2987 0.3267 0.0071 -0.0043 -0.0075 427 GLN B C 2023 O O . GLN B 49 ? 0.2915 0.3068 0.2448 0.0560 -0.0276 0.0374 427 GLN B O 2024 C CB . GLN B 49 ? 0.3284 0.3240 0.3110 0.0098 -0.0145 -0.0057 427 GLN B CB 2025 C CG . GLN B 49 ? 0.4548 0.2876 0.4057 -0.0202 0.0569 0.0138 427 GLN B CG 2026 C CD . GLN B 49 ? 0.4120 0.4730 0.3766 -0.0419 -0.0202 0.0378 427 GLN B CD 2027 O OE1 . GLN B 49 ? 0.5503 0.4497 0.3880 0.1090 -0.0211 -0.0184 427 GLN B OE1 2028 N NE2 . GLN B 49 ? 0.4400 0.4976 0.4755 -0.0653 -0.0903 0.0687 427 GLN B NE2 2029 N N . ILE B 50 ? 0.2995 0.3161 0.3162 0.0171 -0.0093 0.0333 428 ILE B N 2030 C CA . ILE B 50 ? 0.3300 0.3122 0.3328 0.0168 -0.0152 0.0331 428 ILE B CA 2031 C C . ILE B 50 ? 0.3385 0.3383 0.3782 0.0241 0.0152 0.0101 428 ILE B C 2032 O O . ILE B 50 ? 0.3263 0.3373 0.3665 0.0491 -0.0303 0.0265 428 ILE B O 2033 C CB . ILE B 50 ? 0.3257 0.2871 0.3424 0.0185 0.0070 0.0074 428 ILE B CB 2034 C CG1 . ILE B 50 ? 0.3170 0.3477 0.3956 -0.0183 0.0008 -0.0022 428 ILE B CG1 2035 C CG2 . ILE B 50 ? 0.2759 0.2528 0.3333 0.0670 0.0355 -0.0096 428 ILE B CG2 2036 C CD1 . ILE B 50 ? 0.3395 0.2862 0.3718 -0.0113 -0.0146 0.0286 428 ILE B CD1 2037 N N . SER B 51 ? 0.3656 0.3595 0.3852 0.0304 -0.0048 -0.0073 429 SER B N 2038 C CA . SER B 51 ? 0.3767 0.3786 0.3596 0.0461 0.0086 0.0079 429 SER B CA 2039 C C . SER B 51 ? 0.3513 0.3635 0.3934 0.0356 0.0170 0.0019 429 SER B C 2040 O O . SER B 51 ? 0.3171 0.3633 0.3201 0.0142 -0.0233 -0.0459 429 SER B O 2041 C CB . SER B 51 ? 0.3501 0.2939 0.3641 0.0220 0.0068 0.0075 429 SER B CB 2042 O OG . SER B 51 ? 0.3279 0.3126 0.4050 0.0535 -0.0212 0.0099 429 SER B OG 2043 N N . PRO B 52 ? 0.3725 0.4012 0.3847 0.0423 -0.0500 0.0320 430 PRO B N 2044 C CA . PRO B 52 ? 0.3781 0.3851 0.4179 0.0119 0.0237 0.0291 430 PRO B CA 2045 C C . PRO B 52 ? 0.3734 0.3618 0.4088 0.0689 -0.0157 0.0173 430 PRO B C 2046 O O . PRO B 52 ? 0.4433 0.3035 0.5330 0.0888 -0.0042 0.1054 430 PRO B O 2047 C CB . PRO B 52 ? 0.3726 0.4041 0.4241 0.0289 -0.0760 0.1208 430 PRO B CB 2048 C CG . PRO B 52 ? 0.3907 0.3575 0.4282 0.0458 -0.0108 0.0776 430 PRO B CG 2049 C CD . PRO B 52 ? 0.3602 0.3561 0.3311 0.0506 -0.0349 0.0076 430 PRO B CD 2050 N N . ALA B 53 ? 0.3767 0.3907 0.4128 0.0751 -0.0456 0.0010 431 ALA B N 2051 C CA . ALA B 53 ? 0.3994 0.4435 0.4608 -0.0016 0.0077 -0.0182 431 ALA B CA 2052 C C . ALA B 53 ? 0.4142 0.3518 0.4846 0.0237 0.0167 0.0194 431 ALA B C 2053 O O . ALA B 53 ? 0.5053 0.2583 0.5175 -0.0018 0.0296 0.0123 431 ALA B O 2054 C CB . ALA B 53 ? 0.3872 0.2600 0.4633 0.0772 -0.0018 -0.0596 431 ALA B CB 2055 N N . ALA B 54 ? 0.3610 0.3240 0.3066 0.0268 -0.0137 -0.0615 432 ALA B N 2056 C CA . ALA B 54 ? 0.3499 0.3343 0.3196 0.0318 0.0005 0.0096 432 ALA B CA 2057 C C . ALA B 54 ? 0.3690 0.3874 0.3426 0.0074 0.0093 0.0013 432 ALA B C 2058 O O . ALA B 54 ? 0.4174 0.3563 0.3771 -0.0351 0.0327 0.0108 432 ALA B O 2059 C CB . ALA B 54 ? 0.2167 0.3061 0.2742 0.0361 0.0290 -0.0294 432 ALA B CB 2060 N N . ILE B 55 ? 0.3872 0.3326 0.3426 0.0526 -0.0272 0.0537 433 ILE B N 2061 C CA . ILE B 55 ? 0.4078 0.3593 0.3526 0.0420 -0.0123 0.0323 433 ILE B CA 2062 C C . ILE B 55 ? 0.4262 0.3565 0.3928 -0.0093 0.0146 0.0045 433 ILE B C 2063 O O . ILE B 55 ? 0.4560 0.2830 0.4006 0.0722 0.0449 0.0214 433 ILE B O 2064 C CB . ILE B 55 ? 0.3769 0.3684 0.4313 0.0118 0.0066 -0.0031 433 ILE B CB 2065 C CG1 . ILE B 55 ? 0.4418 0.3203 0.4136 -0.0532 0.0536 0.0065 433 ILE B CG1 2066 C CG2 . ILE B 55 ? 0.4188 0.2787 0.5137 -0.0013 -0.0342 0.0287 433 ILE B CG2 2067 C CD1 . ILE B 55 ? 0.3957 0.3058 0.4194 0.0147 0.0174 0.0266 433 ILE B CD1 2068 N N . ALA B 56 ? 0.4387 0.3930 0.4060 0.0489 0.0092 0.0238 434 ALA B N 2069 C CA . ALA B 56 ? 0.4475 0.4174 0.5772 0.0021 -0.0075 0.0058 434 ALA B CA 2070 C C . ALA B 56 ? 0.4457 0.4497 0.5396 -0.0490 0.0295 0.0105 434 ALA B C 2071 O O . ALA B 56 ? 0.4971 0.4389 0.6716 -0.0682 0.0598 0.0052 434 ALA B O 2072 C CB . ALA B 56 ? 0.3776 0.2769 0.4979 -0.0679 -0.0088 0.0610 434 ALA B CB 2073 N N . SER B 57 ? 0.4868 0.3903 0.5203 -0.0514 0.0261 -0.0089 435 SER B N 2074 C CA . SER B 57 ? 0.4608 0.4528 0.4613 -0.0351 0.0269 0.0170 435 SER B CA 2075 C C . SER B 57 ? 0.5241 0.3997 0.3873 -0.0167 0.0049 0.0152 435 SER B C 2076 O O . SER B 57 ? 0.5487 0.5348 0.4719 -0.0325 0.0216 -0.1480 435 SER B O 2077 C CB . SER B 57 ? 0.5505 0.4597 0.4756 -0.0298 0.0060 -0.0383 435 SER B CB 2078 O OG . SER B 57 ? 0.5801 0.6104 0.5411 -0.0753 0.0689 -0.0236 435 SER B OG 2079 N N . ASN B 58 ? 0.4831 0.3834 0.3905 0.0123 0.0356 0.0225 436 ASN B N 2080 C CA . ASN B 58 ? 0.4036 0.4044 0.5003 -0.0283 0.0524 0.0059 436 ASN B CA 2081 C C . ASN B 58 ? 0.3936 0.3351 0.4203 -0.0600 0.0045 0.0279 436 ASN B C 2082 O O . ASN B 58 ? 0.4951 0.2557 0.4170 -0.0334 0.0260 -0.0137 436 ASN B O 2083 C CB . ASN B 58 ? 0.3898 0.3830 0.4153 -0.0155 0.0263 0.0008 436 ASN B CB 2084 C CG . ASN B 58 ? 0.4082 0.4302 0.4071 0.0021 0.0570 -0.0574 436 ASN B CG 2085 O OD1 . ASN B 58 ? 0.5008 0.5145 0.4967 0.0043 0.0890 -0.0119 436 ASN B OD1 2086 N ND2 . ASN B 58 ? 0.4518 0.2000 0.4196 -0.0484 0.1039 0.0209 436 ASN B ND2 2087 N N . CYS B 59 ? 0.3532 0.3243 0.4658 -0.0691 0.0210 0.0330 437 CYS B N 2088 C CA . CYS B 59 ? 0.3954 0.3845 0.4018 -0.0793 0.0000 0.0021 437 CYS B CA 2089 C C . CYS B 59 ? 0.3479 0.4055 0.4039 -0.0223 -0.0214 0.0062 437 CYS B C 2090 O O . CYS B 59 ? 0.4267 0.4254 0.4696 -0.0358 -0.0171 0.0350 437 CYS B O 2091 C CB . CYS B 59 ? 0.4116 0.4407 0.5430 -0.1036 -0.0463 0.0592 437 CYS B CB 2092 S SG . CYS B 59 ? 0.5936 0.4550 0.5794 -0.1818 -0.0190 0.0383 437 CYS B SG 2093 N N . TYR B 60 ? 0.3764 0.4022 0.4163 0.0104 0.0148 0.0002 438 TYR B N 2094 C CA . TYR B 60 ? 0.3673 0.3848 0.4512 -0.0550 0.0133 0.0121 438 TYR B CA 2095 C C . TYR B 60 ? 0.4124 0.4110 0.4512 -0.0252 0.0496 0.0202 438 TYR B C 2096 O O . TYR B 60 ? 0.3609 0.4410 0.4526 -0.0633 0.0521 -0.0105 438 TYR B O 2097 C CB . TYR B 60 ? 0.3548 0.3685 0.3831 -0.0469 0.0345 -0.0240 438 TYR B CB 2098 C CG . TYR B 60 ? 0.3264 0.3649 0.3469 -0.0268 0.0104 -0.0084 438 TYR B CG 2099 C CD1 . TYR B 60 ? 0.3108 0.3864 0.2939 -0.0047 -0.0604 0.0278 438 TYR B CD1 2100 C CD2 . TYR B 60 ? 0.3674 0.3707 0.2785 -0.0440 0.0101 0.0066 438 TYR B CD2 2101 C CE1 . TYR B 60 ? 0.3343 0.3534 0.3501 -0.0311 -0.0094 0.0261 438 TYR B CE1 2102 C CE2 . TYR B 60 ? 0.3486 0.2908 0.3393 -0.0572 -0.0099 -0.0257 438 TYR B CE2 2103 C CZ . TYR B 60 ? 0.2568 0.3631 0.3827 -0.0335 -0.0009 0.0125 438 TYR B CZ 2104 O OH . TYR B 60 ? 0.3702 0.3583 0.4023 0.0088 0.0407 -0.0051 438 TYR B OH 2105 N N . SER B 61 ? 0.4023 0.3816 0.4719 -0.0464 -0.0088 0.0140 439 SER B N 2106 C CA . SER B 61 ? 0.4814 0.4517 0.4802 -0.0742 0.0257 0.0275 439 SER B CA 2107 C C . SER B 61 ? 0.4579 0.5321 0.4998 -0.0831 0.0038 0.0215 439 SER B C 2108 O O . SER B 61 ? 0.5654 0.6265 0.5919 -0.1332 0.0342 0.1169 439 SER B O 2109 C CB . SER B 61 ? 0.4954 0.5008 0.5282 0.0210 0.0238 -0.0808 439 SER B CB 2110 O OG . SER B 61 ? 0.6337 0.4862 0.6432 -0.0151 -0.0826 0.0488 439 SER B OG 2111 N N . SER B 62 ? 0.4431 0.4112 0.4515 -0.0559 0.0251 -0.0246 440 SER B N 2112 C CA . SER B 62 ? 0.4040 0.4481 0.4709 -0.0815 0.0741 0.0535 440 SER B CA 2113 C C . SER B 62 ? 0.4204 0.3912 0.4318 0.0263 0.0760 0.0814 440 SER B C 2114 O O . SER B 62 ? 0.3236 0.4121 0.3656 -0.0380 0.0649 0.0072 440 SER B O 2115 C CB . SER B 62 ? 0.4146 0.4868 0.5221 -0.0581 0.1268 0.0130 440 SER B CB 2116 O OG . SER B 62 ? 0.6140 0.4894 0.5359 -0.1047 0.1286 -0.0200 440 SER B OG 2117 N N . LEU B 63 ? 0.3866 0.3603 0.3680 -0.0371 0.0557 0.0723 441 LEU B N 2118 C CA . LEU B 63 ? 0.3930 0.3655 0.4192 0.0109 0.0279 0.0315 441 LEU B CA 2119 C C . LEU B 63 ? 0.4127 0.3767 0.4248 -0.0540 0.0337 0.0358 441 LEU B C 2120 O O . LEU B 63 ? 0.4112 0.3993 0.4132 -0.0882 0.0536 0.0197 441 LEU B O 2121 C CB . LEU B 63 ? 0.3722 0.3596 0.4690 -0.0024 0.0750 0.0282 441 LEU B CB 2122 C CG . LEU B 63 ? 0.3990 0.3390 0.4482 0.0354 0.0496 0.0513 441 LEU B CG 2123 C CD1 . LEU B 63 ? 0.3514 0.4377 0.4267 0.1140 0.0044 0.0430 441 LEU B CD1 2124 C CD2 . LEU B 63 ? 0.4823 0.4303 0.4967 0.0714 -0.0224 0.0729 441 LEU B CD2 2125 N N . ILE B 64 ? 0.4025 0.3708 0.4443 -0.0650 0.0405 0.0154 442 ILE B N 2126 C CA . ILE B 64 ? 0.4097 0.4218 0.4284 -0.0155 0.0270 0.0397 442 ILE B CA 2127 C C . ILE B 64 ? 0.4141 0.4142 0.3939 -0.0144 0.0523 0.0539 442 ILE B C 2128 O O . ILE B 64 ? 0.4044 0.4470 0.3711 -0.0819 0.0324 0.0772 442 ILE B O 2129 C CB . ILE B 64 ? 0.4760 0.4077 0.4157 -0.0492 0.0433 0.0391 442 ILE B CB 2130 C CG1 . ILE B 64 ? 0.4800 0.5004 0.5367 -0.0124 0.0494 0.0986 442 ILE B CG1 2131 C CG2 . ILE B 64 ? 0.5247 0.4452 0.4660 -0.0208 -0.0212 0.0777 442 ILE B CG2 2132 C CD1 . ILE B 64 ? 0.7683 0.5658 0.8359 -0.0192 0.0250 0.0002 442 ILE B CD1 2133 N N . LEU B 65 ? 0.3783 0.3655 0.3782 -0.0406 -0.0154 -0.0012 443 LEU B N 2134 C CA . LEU B 65 ? 0.4059 0.3385 0.3667 -0.0151 -0.0533 0.0504 443 LEU B CA 2135 C C . LEU B 65 ? 0.4237 0.3569 0.3869 -0.0463 -0.0269 0.0337 443 LEU B C 2136 O O . LEU B 65 ? 0.4174 0.3672 0.4181 -0.0934 0.0079 0.0220 443 LEU B O 2137 C CB . LEU B 65 ? 0.4391 0.3667 0.4652 0.0098 -0.0029 -0.0207 443 LEU B CB 2138 C CG . LEU B 65 ? 0.5093 0.4156 0.5744 0.0798 0.0437 0.0200 443 LEU B CG 2139 C CD1 . LEU B 65 ? 0.4914 0.3012 0.5242 0.0634 -0.0094 0.0550 443 LEU B CD1 2140 C CD2 . LEU B 65 ? 0.6277 0.4816 0.7005 0.0285 0.0949 -0.0733 443 LEU B CD2 2141 N N . ASP B 66 ? 0.3651 0.3896 0.4068 -0.0398 -0.0248 0.0045 444 ASP B N 2142 C CA . ASP B 66 ? 0.3765 0.3412 0.3424 -0.0048 0.0030 0.0207 444 ASP B CA 2143 C C . ASP B 66 ? 0.4286 0.2940 0.3800 0.0031 -0.0051 0.0348 444 ASP B C 2144 O O . ASP B 66 ? 0.4078 0.3030 0.3996 -0.0043 0.0105 0.0495 444 ASP B O 2145 C CB . ASP B 66 ? 0.3848 0.3232 0.3180 -0.0006 -0.0003 -0.0042 444 ASP B CB 2146 C CG . ASP B 66 ? 0.3865 0.4017 0.4176 0.0065 0.0241 0.0274 444 ASP B CG 2147 O OD1 . ASP B 66 ? 0.3258 0.3650 0.4076 -0.0389 -0.0080 0.0297 444 ASP B OD1 2148 O OD2 . ASP B 66 ? 0.4366 0.3373 0.4314 -0.0468 -0.1129 0.0015 444 ASP B OD2 2149 N N . TYR B 67 ? 0.4097 0.2531 0.3672 -0.0545 -0.0165 0.0166 445 TYR B N 2150 C CA . TYR B 67 ? 0.3711 0.3485 0.3691 -0.0455 -0.0042 0.0349 445 TYR B CA 2151 C C . TYR B 67 ? 0.3702 0.3356 0.3701 -0.0378 0.0106 0.0306 445 TYR B C 2152 O O . TYR B 67 ? 0.5221 0.3366 0.3526 -0.0270 0.0157 0.0204 445 TYR B O 2153 C CB . TYR B 67 ? 0.4636 0.3553 0.4410 -0.0401 0.0055 0.0321 445 TYR B CB 2154 C CG . TYR B 67 ? 0.4721 0.3355 0.4192 -0.0257 0.0213 -0.0027 445 TYR B CG 2155 C CD1 . TYR B 67 ? 0.4679 0.3628 0.4507 -0.0773 0.0005 -0.0758 445 TYR B CD1 2156 C CD2 . TYR B 67 ? 0.6153 0.3170 0.3991 -0.0457 -0.0323 -0.0501 445 TYR B CD2 2157 C CE1 . TYR B 67 ? 0.5841 0.5239 0.4493 -0.1170 -0.0263 -0.0102 445 TYR B CE1 2158 C CE2 . TYR B 67 ? 0.5031 0.4419 0.4549 0.0146 0.0188 -0.0191 445 TYR B CE2 2159 C CZ . TYR B 67 ? 0.5295 0.5029 0.4679 -0.0606 -0.0068 -0.0081 445 TYR B CZ 2160 O OH . TYR B 67 ? 0.6726 0.4993 0.5529 -0.1186 0.0095 0.0689 445 TYR B OH 2161 N N . PHE B 68 ? 0.3489 0.2603 0.3482 -0.0545 -0.0339 0.0890 446 PHE B N 2162 C CA . PHE B 68 ? 0.3836 0.3127 0.3370 -0.0253 -0.0167 -0.0011 446 PHE B CA 2163 C C . PHE B 68 ? 0.3890 0.2869 0.3782 -0.0188 -0.0230 0.0012 446 PHE B C 2164 O O . PHE B 68 ? 0.5084 0.2570 0.3305 -0.0074 -0.0653 0.0450 446 PHE B O 2165 C CB . PHE B 68 ? 0.3936 0.3007 0.3361 -0.0269 -0.0037 0.0454 446 PHE B CB 2166 C CG . PHE B 68 ? 0.3739 0.3454 0.3021 0.0115 -0.0003 0.0084 446 PHE B CG 2167 C CD1 . PHE B 68 ? 0.3730 0.3276 0.3165 -0.0091 -0.0121 0.0249 446 PHE B CD1 2168 C CD2 . PHE B 68 ? 0.3843 0.2933 0.3072 -0.0023 -0.0170 -0.0191 446 PHE B CD2 2169 C CE1 . PHE B 68 ? 0.3701 0.2603 0.3317 0.0103 0.0095 0.0209 446 PHE B CE1 2170 C CE2 . PHE B 68 ? 0.3479 0.3200 0.3524 -0.0150 0.0234 0.0243 446 PHE B CE2 2171 C CZ . PHE B 68 ? 0.3522 0.3463 0.2906 -0.0354 0.0123 0.0151 446 PHE B CZ 2172 N N . SER B 69 ? 0.4269 0.3634 0.3803 0.0546 -0.0193 0.0100 447 SER B N 2173 C CA . SER B 69 ? 0.3816 0.3338 0.3642 0.0013 -0.0287 0.0570 447 SER B CA 2174 C C . SER B 69 ? 0.3826 0.3447 0.3283 0.0095 -0.0049 0.0378 447 SER B C 2175 O O . SER B 69 ? 0.4028 0.3373 0.3508 0.0768 -0.0221 0.0672 447 SER B O 2176 C CB . SER B 69 ? 0.3811 0.4094 0.3692 -0.0374 -0.0511 0.0493 447 SER B CB 2177 O OG . SER B 69 ? 0.5584 0.4469 0.3701 -0.0583 -0.1045 0.1448 447 SER B OG 2178 N N . TYR B 70 ? 0.3871 0.3647 0.2769 0.0306 -0.0203 0.0833 448 TYR B N 2179 C CA . TYR B 70 ? 0.3400 0.3531 0.3857 0.0423 0.0021 0.0874 448 TYR B CA 2180 C C . TYR B 70 ? 0.3647 0.3402 0.3285 0.0333 -0.0116 0.0490 448 TYR B C 2181 O O . TYR B 70 ? 0.4702 0.2801 0.3770 0.1317 -0.0529 0.0464 448 TYR B O 2182 C CB . TYR B 70 ? 0.3544 0.3049 0.3746 0.0201 -0.0112 0.0697 448 TYR B CB 2183 C CG . TYR B 70 ? 0.3439 0.3096 0.3315 0.0231 -0.0082 0.0660 448 TYR B CG 2184 C CD1 . TYR B 70 ? 0.3782 0.3094 0.3711 0.0425 -0.0240 0.0601 448 TYR B CD1 2185 C CD2 . TYR B 70 ? 0.2965 0.3020 0.3371 0.0614 -0.0240 0.0504 448 TYR B CD2 2186 C CE1 . TYR B 70 ? 0.3012 0.3528 0.3969 -0.0056 0.0098 0.0028 448 TYR B CE1 2187 C CE2 . TYR B 70 ? 0.3530 0.3417 0.3915 0.0182 0.0411 0.0203 448 TYR B CE2 2188 C CZ . TYR B 70 ? 0.3729 0.3242 0.3402 -0.0066 0.0064 0.0388 448 TYR B CZ 2189 O OH . TYR B 70 ? 0.3735 0.3162 0.4056 -0.0065 0.0464 0.0039 448 TYR B OH 2190 N N . PRO B 71 ? 0.3751 0.3694 0.3242 0.0185 -0.0430 0.0627 449 PRO B N 2191 C CA . PRO B 71 ? 0.3738 0.4189 0.3600 0.0408 -0.0352 0.0489 449 PRO B CA 2192 C C . PRO B 71 ? 0.5223 0.4068 0.3692 0.1152 -0.0120 0.0205 449 PRO B C 2193 O O . PRO B 71 ? 0.4191 0.3943 0.3817 0.1163 -0.0233 0.0198 449 PRO B O 2194 C CB . PRO B 71 ? 0.3672 0.3968 0.3183 0.0585 -0.0470 0.0662 449 PRO B CB 2195 C CG . PRO B 71 ? 0.3814 0.3673 0.3380 0.0330 -0.0814 0.0744 449 PRO B CG 2196 C CD . PRO B 71 ? 0.3858 0.3340 0.3369 0.0553 -0.0603 0.0818 449 PRO B CD 2197 N N . LEU B 72 ? 0.4906 0.3380 0.4070 0.1003 -0.0358 0.0050 450 LEU B N 2198 C CA . LEU B 72 ? 0.4913 0.4229 0.4701 0.0457 0.0348 0.0384 450 LEU B CA 2199 C C . LEU B 72 ? 0.4691 0.4314 0.4271 0.0410 0.0036 0.0154 450 LEU B C 2200 O O . LEU B 72 ? 0.5309 0.4525 0.4356 0.1181 0.0559 0.0420 450 LEU B O 2201 C CB . LEU B 72 ? 0.5312 0.4683 0.5214 0.0632 0.0035 -0.0125 450 LEU B CB 2202 C CG . LEU B 72 ? 0.5677 0.5313 0.5565 0.1277 -0.0611 -0.0882 450 LEU B CG 2203 C CD1 . LEU B 72 ? 0.6080 0.4936 0.6445 0.2204 -0.0148 0.0392 450 LEU B CD1 2204 C CD2 . LEU B 72 ? 0.5561 0.4888 0.6268 0.2224 -0.0525 0.0006 450 LEU B CD2 2205 N N . SER B 73 ? 0.4545 0.3767 0.4820 0.0626 -0.0525 0.0963 451 SER B N 2206 C CA . SER B 73 ? 0.4485 0.4515 0.4519 0.0406 -0.0031 0.0547 451 SER B CA 2207 C C . SER B 73 ? 0.4352 0.4388 0.5854 0.0229 0.0087 0.0887 451 SER B C 2208 O O . SER B 73 ? 0.3877 0.4734 0.5921 0.0395 -0.0275 0.1227 451 SER B O 2209 C CB . SER B 73 ? 0.4499 0.4428 0.4304 0.1206 0.0065 0.0659 451 SER B CB 2210 O OG . SER B 73 ? 0.4607 0.3321 0.4654 0.1237 0.0239 0.0224 451 SER B OG 2211 N N . MET B 74 ? 0.4767 0.4214 0.3973 0.0643 0.0303 0.0097 452 MET B N 2212 C CA . MET B 74 ? 0.4766 0.4559 0.4183 0.0789 0.0090 0.0291 452 MET B CA 2213 C C . MET B 74 ? 0.4425 0.4118 0.4082 0.0636 0.0363 0.0108 452 MET B C 2214 O O . MET B 74 ? 0.3932 0.4212 0.3854 0.0698 0.0260 0.0931 452 MET B O 2215 C CB . MET B 74 ? 0.4749 0.4556 0.4091 0.0347 0.0150 0.0406 452 MET B CB 2216 C CG . MET B 74 ? 0.4798 0.5091 0.4431 0.1934 -0.0211 -0.0231 452 MET B CG 2217 S SD . MET B 74 ? 0.5744 0.5301 0.3996 0.1458 -0.0261 0.0594 452 MET B SD 2218 C CE . MET B 74 ? 0.5263 0.4803 0.3930 0.1203 -0.0977 0.0026 452 MET B CE 2219 N N . LYS B 75 ? 0.4599 0.3536 0.3553 0.0094 0.0686 0.0517 453 LYS B N 2220 C CA . LYS B 75 ? 0.4819 0.3975 0.4174 0.0173 -0.0016 0.0394 453 LYS B CA 2221 C C . LYS B 75 ? 0.3763 0.3859 0.4362 0.0149 -0.0204 0.0321 453 LYS B C 2222 O O . LYS B 75 ? 0.4154 0.3387 0.3884 0.0495 0.0310 0.0914 453 LYS B O 2223 C CB . LYS B 75 ? 0.5211 0.3963 0.4749 0.0826 0.0001 0.0146 453 LYS B CB 2224 C CG . LYS B 75 ? 0.5130 0.4941 0.5158 0.0474 -0.0338 -0.0425 453 LYS B CG 2225 C CD . LYS B 75 ? 0.6057 0.4895 0.5684 0.0908 0.0785 -0.0199 453 LYS B CD 2226 C CE . LYS B 75 ? 0.7710 0.6516 0.7309 -0.1384 0.1411 -0.0469 453 LYS B CE 2227 N NZ . LYS B 75 ? 1.0396 0.6096 0.7650 -0.1006 0.1235 -0.0606 453 LYS B NZ 2228 N N . SER B 76 ? 0.4072 0.3726 0.3559 -0.0415 0.0452 0.0180 454 SER B N 2229 C CA . SER B 76 ? 0.4245 0.3710 0.4271 -0.0102 0.0062 0.0204 454 SER B CA 2230 C C . SER B 76 ? 0.4117 0.4193 0.4024 0.0314 0.0275 0.0467 454 SER B C 2231 O O . SER B 76 ? 0.3914 0.4084 0.3549 0.0109 0.0572 0.0219 454 SER B O 2232 C CB . SER B 76 ? 0.4039 0.4100 0.5148 -0.0057 -0.0213 0.0459 454 SER B CB 2233 O OG . SER B 76 ? 0.4919 0.6412 0.5590 -0.0488 -0.0485 0.0575 454 SER B OG 2234 N N . ASP B 77 ? 0.3727 0.3577 0.3863 0.0516 0.0010 0.0375 455 ASP B N 2235 C CA . ASP B 77 ? 0.3691 0.3565 0.3722 0.0093 -0.0236 -0.0032 455 ASP B CA 2236 C C . ASP B 77 ? 0.3674 0.3694 0.3497 0.0094 -0.0192 0.0172 455 ASP B C 2237 O O . ASP B 77 ? 0.4065 0.3971 0.3314 0.0101 0.0326 0.0259 455 ASP B O 2238 C CB . ASP B 77 ? 0.4627 0.4080 0.3723 -0.0146 -0.0058 0.0362 455 ASP B CB 2239 C CG . ASP B 77 ? 0.5376 0.5957 0.4502 -0.0229 -0.0686 0.0297 455 ASP B CG 2240 O OD1 . ASP B 77 ? 0.5894 0.6340 0.5730 0.0270 -0.0375 0.1020 455 ASP B OD1 2241 O OD2 . ASP B 77 ? 0.7808 0.5983 0.5365 -0.0647 -0.1376 0.0318 455 ASP B OD2 2242 N N . LEU B 78 ? 0.3803 0.2908 0.3060 0.0426 -0.0061 0.0538 456 LEU B N 2243 C CA . LEU B 78 ? 0.3707 0.3597 0.3428 -0.0009 -0.0018 0.0328 456 LEU B CA 2244 C C . LEU B 78 ? 0.3931 0.4055 0.3448 0.0361 0.0270 0.0398 456 LEU B C 2245 O O . LEU B 78 ? 0.3923 0.4236 0.3176 0.0251 0.0119 0.0384 456 LEU B O 2246 C CB . LEU B 78 ? 0.4309 0.3499 0.3422 -0.0140 0.0675 0.0152 456 LEU B CB 2247 C CG . LEU B 78 ? 0.4039 0.3900 0.3563 0.0214 0.0655 0.0415 456 LEU B CG 2248 C CD1 . LEU B 78 ? 0.4328 0.3174 0.3251 -0.0182 0.0355 0.1526 456 LEU B CD1 2249 C CD2 . LEU B 78 ? 0.4442 0.4665 0.2707 0.0017 0.0702 -0.0292 456 LEU B CD2 2250 N N . SER B 79 ? 0.3793 0.3353 0.3594 -0.0207 0.0513 0.0519 457 SER B N 2251 C CA . SER B 79 ? 0.4135 0.3728 0.3613 0.0455 0.0717 0.0392 457 SER B CA 2252 C C . SER B 79 ? 0.3265 0.3739 0.3360 -0.0049 0.0291 0.0261 457 SER B C 2253 O O . SER B 79 ? 0.3539 0.4332 0.4183 0.1045 -0.0100 0.0198 457 SER B O 2254 C CB . SER B 79 ? 0.3810 0.3681 0.2849 0.0222 0.0426 0.0352 457 SER B CB 2255 O OG . SER B 79 ? 0.4404 0.4095 0.3909 0.0136 0.0037 -0.0654 457 SER B OG 2256 N N . VAL B 80 ? 0.2657 0.3538 0.2736 0.0476 0.0636 0.0273 458 VAL B N 2257 C CA . VAL B 80 ? 0.2980 0.3502 0.2840 0.0349 0.0183 0.0273 458 VAL B CA 2258 C C . VAL B 80 ? 0.3177 0.3239 0.3136 0.0390 0.0206 0.0306 458 VAL B C 2259 O O . VAL B 80 ? 0.3203 0.3166 0.3116 -0.0113 0.0631 0.0885 458 VAL B O 2260 C CB . VAL B 80 ? 0.2900 0.4067 0.3189 0.0086 0.0179 0.0177 458 VAL B CB 2261 C CG1 . VAL B 80 ? 0.2885 0.3469 0.3347 0.0141 0.0085 0.0080 458 VAL B CG1 2262 C CG2 . VAL B 80 ? 0.3258 0.3588 0.3289 0.0047 -0.0002 0.0455 458 VAL B CG2 2263 N N . SER B 81 ? 0.3097 0.3198 0.3542 0.0389 -0.0193 0.0789 459 SER B N 2264 C CA . SER B 81 ? 0.3442 0.3467 0.3218 0.0476 0.0278 0.0417 459 SER B CA 2265 C C . SER B 81 ? 0.3741 0.3513 0.3027 0.0463 -0.0056 0.0416 459 SER B C 2266 O O . SER B 81 ? 0.3737 0.3360 0.3232 0.0273 -0.0312 0.0545 459 SER B O 2267 C CB . SER B 81 ? 0.3705 0.3786 0.3076 0.0194 0.0157 0.0533 459 SER B CB 2268 O OG . SER B 81 ? 0.3869 0.3566 0.5082 -0.0912 -0.0018 0.1845 459 SER B OG 2269 N N . SER B 82 ? 0.2989 0.3112 0.2794 0.0214 0.0003 0.0141 460 SER B N 2270 C CA . SER B 82 ? 0.3093 0.3153 0.2906 0.0120 -0.0266 0.0012 460 SER B CA 2271 C C . SER B 82 ? 0.3051 0.3016 0.3170 0.0196 0.0018 0.0460 460 SER B C 2272 O O . SER B 82 ? 0.4078 0.3144 0.2889 -0.0161 0.0517 0.0602 460 SER B O 2273 C CB . SER B 82 ? 0.2995 0.3153 0.3275 0.0076 0.0116 0.0254 460 SER B CB 2274 O OG . SER B 82 ? 0.3231 0.3529 0.3557 -0.0179 0.1004 0.0244 460 SER B OG 2275 N N . ALA B 83 ? 0.3102 0.3314 0.3272 0.0009 0.0412 0.0658 461 ALA B N 2276 C CA . ALA B 83 ? 0.3398 0.3948 0.3149 0.0048 0.0086 -0.0019 461 ALA B CA 2277 C C . ALA B 83 ? 0.3701 0.3307 0.3023 -0.0110 0.0460 0.0177 461 ALA B C 2278 O O . ALA B 83 ? 0.4288 0.4079 0.3429 -0.0555 0.0261 -0.0247 461 ALA B O 2279 C CB . ALA B 83 ? 0.3421 0.3587 0.2844 0.0253 0.0011 0.0442 461 ALA B CB 2280 N N . GLY B 84 ? 0.3498 0.3488 0.3502 -0.0044 0.0561 0.0405 462 GLY B N 2281 C CA . GLY B 84 ? 0.4026 0.3739 0.3413 -0.0017 0.0266 0.0472 462 GLY B CA 2282 C C . GLY B 84 ? 0.3324 0.4040 0.3264 0.0342 0.0015 0.0165 462 GLY B C 2283 O O . GLY B 84 ? 0.3334 0.4042 0.2697 0.0329 0.0010 0.0276 462 GLY B O 2284 N N . PRO B 85 ? 0.3916 0.4545 0.3117 0.0259 -0.0032 0.0274 463 PRO B N 2285 C CA . PRO B 85 ? 0.3351 0.3741 0.3550 0.0055 0.0008 0.0302 463 PRO B CA 2286 C C . PRO B 85 ? 0.3514 0.3487 0.3011 0.0191 -0.0168 0.0291 463 PRO B C 2287 O O . PRO B 85 ? 0.3552 0.3939 0.2664 0.0278 -0.0167 0.0768 463 PRO B O 2288 C CB . PRO B 85 ? 0.3654 0.4468 0.2973 0.0268 0.0453 0.0982 463 PRO B CB 2289 C CG . PRO B 85 ? 0.3928 0.4973 0.3707 0.1219 0.0254 0.0650 463 PRO B CG 2290 C CD . PRO B 85 ? 0.3974 0.4581 0.3645 0.0890 -0.0060 0.0594 463 PRO B CD 2291 N N . ILE B 86 ? 0.3679 0.3158 0.2475 -0.0001 -0.0552 0.0468 464 ILE B N 2292 C CA . ILE B 86 ? 0.3736 0.3233 0.2398 0.0056 -0.0472 0.0226 464 ILE B CA 2293 C C . ILE B 86 ? 0.3389 0.3234 0.3057 0.0098 -0.0005 0.0129 464 ILE B C 2294 O O . ILE B 86 ? 0.4024 0.3358 0.3157 -0.0699 0.0282 0.0228 464 ILE B O 2295 C CB . ILE B 86 ? 0.3695 0.3287 0.2751 0.0166 -0.0608 0.0064 464 ILE B CB 2296 C CG1 . ILE B 86 ? 0.4035 0.3833 0.3129 0.0555 -0.0395 0.0616 464 ILE B CG1 2297 C CG2 . ILE B 86 ? 0.3794 0.2857 0.2493 0.0240 0.0015 0.0037 464 ILE B CG2 2298 C CD1 . ILE B 86 ? 0.4083 0.2432 0.3131 0.0670 -0.0368 0.0644 464 ILE B CD1 2299 N N . SER B 87 ? 0.3528 0.3081 0.2902 -0.0043 -0.0307 0.0007 465 SER B N 2300 C CA . SER B 87 ? 0.3761 0.3586 0.3077 0.0502 -0.0133 -0.0002 465 SER B CA 2301 C C . SER B 87 ? 0.3514 0.3462 0.3259 -0.0067 -0.0278 -0.0240 465 SER B C 2302 O O . SER B 87 ? 0.3219 0.3493 0.3801 -0.0394 -0.0453 0.0189 465 SER B O 2303 C CB . SER B 87 ? 0.4124 0.3818 0.3083 -0.0345 -0.0078 0.0065 465 SER B CB 2304 O OG . SER B 87 ? 0.5174 0.4494 0.2889 0.0249 -0.0489 -0.0223 465 SER B OG 2305 N N . GLN B 88 ? 0.3526 0.3251 0.2887 -0.0215 -0.0309 0.0257 466 GLN B N 2306 C CA . GLN B 88 ? 0.3148 0.2999 0.3237 -0.0230 -0.0136 0.0214 466 GLN B CA 2307 C C . GLN B 88 ? 0.3320 0.3152 0.2998 -0.0063 -0.0207 -0.0254 466 GLN B C 2308 O O . GLN B 88 ? 0.3900 0.2933 0.3215 0.0387 0.0038 0.0196 466 GLN B O 2309 C CB . GLN B 88 ? 0.3067 0.3101 0.3190 -0.0133 -0.0246 0.0412 466 GLN B CB 2310 C CG . GLN B 88 ? 0.3415 0.3658 0.3593 -0.0162 0.0203 0.0485 466 GLN B CG 2311 C CD . GLN B 88 ? 0.3833 0.4643 0.4288 -0.0730 0.0022 0.0543 466 GLN B CD 2312 O OE1 . GLN B 88 ? 0.3801 0.4784 0.4680 -0.0457 0.0070 0.0927 466 GLN B OE1 2313 N NE2 . GLN B 88 ? 0.5234 0.2809 0.5130 -0.0626 -0.0466 0.1186 466 GLN B NE2 2314 N N . PHE B 89 ? 0.3850 0.2804 0.3182 -0.0126 -0.0108 -0.0170 467 PHE B N 2315 C CA . PHE B 89 ? 0.3948 0.3124 0.3092 -0.0226 -0.0011 -0.0371 467 PHE B CA 2316 C C . PHE B 89 ? 0.3572 0.3316 0.3143 -0.0162 0.0105 -0.0126 467 PHE B C 2317 O O . PHE B 89 ? 0.4738 0.4477 0.3202 -0.0370 0.0379 -0.0480 467 PHE B O 2318 C CB . PHE B 89 ? 0.3499 0.3412 0.3242 0.0051 -0.0055 -0.0074 467 PHE B CB 2319 C CG . PHE B 89 ? 0.3959 0.3630 0.3617 -0.0097 -0.0212 0.0350 467 PHE B CG 2320 C CD1 . PHE B 89 ? 0.4275 0.3745 0.3734 0.0146 -0.0334 0.0684 467 PHE B CD1 2321 C CD2 . PHE B 89 ? 0.4283 0.4238 0.3190 -0.0162 0.0058 0.0555 467 PHE B CD2 2322 C CE1 . PHE B 89 ? 0.3794 0.4351 0.3427 -0.0315 -0.0404 0.1188 467 PHE B CE1 2323 C CE2 . PHE B 89 ? 0.3943 0.4115 0.3600 0.0050 -0.0292 0.0650 467 PHE B CE2 2324 C CZ . PHE B 89 ? 0.4136 0.3711 0.3478 0.0044 0.0266 0.1350 467 PHE B CZ 2325 N N . ASN B 90 ? 0.3459 0.3043 0.2652 0.0004 -0.0313 0.0090 468 ASN B N 2326 C CA . ASN B 90 ? 0.3101 0.3260 0.2938 -0.0032 -0.0172 0.0242 468 ASN B CA 2327 C C . ASN B 90 ? 0.3303 0.3548 0.3201 0.0037 -0.0427 0.0148 468 ASN B C 2328 O O . ASN B 90 ? 0.3357 0.4227 0.3574 0.0264 -0.0272 0.0104 468 ASN B O 2329 C CB . ASN B 90 ? 0.3143 0.2615 0.3192 0.0054 -0.0499 0.0167 468 ASN B CB 2330 C CG . ASN B 90 ? 0.3353 0.2796 0.2982 -0.0086 -0.0368 0.0179 468 ASN B CG 2331 O OD1 . ASN B 90 ? 0.4044 0.2884 0.2808 -0.0180 0.0202 0.0291 468 ASN B OD1 2332 N ND2 . ASN B 90 ? 0.3127 0.2988 0.2644 -0.0036 -0.0362 0.0556 468 ASN B ND2 2333 N N . TYR B 91 ? 0.3519 0.3578 0.2992 -0.0314 -0.0784 0.0708 469 TYR B N 2334 C CA . TYR B 91 ? 0.4193 0.2915 0.2993 -0.0530 -0.0528 0.0199 469 TYR B CA 2335 C C . TYR B 91 ? 0.3701 0.2484 0.3166 0.0131 -0.0284 0.0281 469 TYR B C 2336 O O . TYR B 91 ? 0.3925 0.2184 0.3570 0.0187 -0.0188 0.0225 469 TYR B O 2337 C CB . TYR B 91 ? 0.3462 0.3103 0.2648 0.0090 -0.0581 0.0369 469 TYR B CB 2338 C CG . TYR B 91 ? 0.3648 0.3262 0.3168 -0.0150 -0.0347 0.0020 469 TYR B CG 2339 C CD1 . TYR B 91 ? 0.3676 0.4256 0.3089 -0.0435 -0.0221 0.0371 469 TYR B CD1 2340 C CD2 . TYR B 91 ? 0.4038 0.3132 0.3016 0.0114 0.0067 0.0282 469 TYR B CD2 2341 C CE1 . TYR B 91 ? 0.4334 0.3604 0.3381 -0.0741 0.0214 0.0000 469 TYR B CE1 2342 C CE2 . TYR B 91 ? 0.3137 0.3045 0.3091 0.0358 -0.0560 0.1082 469 TYR B CE2 2343 C CZ . TYR B 91 ? 0.3745 0.3332 0.2977 -0.0340 -0.0171 0.0486 469 TYR B CZ 2344 O OH . TYR B 91 ? 0.4419 0.3410 0.2809 -0.0423 -0.0030 0.0217 469 TYR B OH 2345 N N . LYS B 92 ? 0.3880 0.2989 0.3234 0.0234 -0.0403 0.0051 470 LYS B N 2346 C CA . LYS B 92 ? 0.3989 0.3317 0.3576 0.0051 -0.0796 0.0525 470 LYS B CA 2347 C C . LYS B 92 ? 0.3435 0.2862 0.3240 0.0024 -0.0223 0.0391 470 LYS B C 2348 O O . LYS B 92 ? 0.3633 0.3707 0.3904 0.0776 -0.0435 0.0232 470 LYS B O 2349 C CB . LYS B 92 ? 0.3924 0.3226 0.3978 0.0116 -0.0552 0.0534 470 LYS B CB 2350 C CG . LYS B 92 ? 0.4443 0.3655 0.4047 0.0179 -0.0243 0.0437 470 LYS B CG 2351 C CD . LYS B 92 ? 0.4328 0.3674 0.4515 0.0417 -0.0033 0.1067 470 LYS B CD 2352 C CE . LYS B 92 ? 0.4014 0.3783 0.3907 0.0142 -0.0104 -0.0078 470 LYS B CE 2353 N NZ . LYS B 92 ? 0.3939 0.3632 0.3127 0.0620 0.1162 0.0775 470 LYS B NZ 2354 N N . GLN B 93 ? 0.3517 0.2572 0.3261 0.0267 -0.0260 0.0453 471 GLN B N 2355 C CA . GLN B 93 ? 0.3868 0.3205 0.4005 0.0299 -0.0552 -0.0189 471 GLN B CA 2356 C C . GLN B 93 ? 0.3873 0.2965 0.3753 -0.0088 -0.0181 -0.0014 471 GLN B C 2357 O O . GLN B 93 ? 0.4409 0.2973 0.3249 -0.0242 -0.0601 0.0512 471 GLN B O 2358 C CB . GLN B 93 ? 0.5084 0.3555 0.3189 0.0447 -0.0521 -0.0175 471 GLN B CB 2359 C CG . GLN B 93 ? 0.4310 0.3381 0.4054 0.0332 -0.0479 -0.0258 471 GLN B CG 2360 C CD . GLN B 93 ? 0.4061 0.3265 0.4370 0.0339 -0.0070 -0.0032 471 GLN B CD 2361 O OE1 . GLN B 93 ? 0.3127 0.4661 0.5180 0.0921 -0.0308 -0.0148 471 GLN B OE1 2362 N NE2 . GLN B 93 ? 0.4797 0.3245 0.3345 -0.0029 -0.0348 0.0810 471 GLN B NE2 2363 N N . SER B 94 ? 0.3636 0.4337 0.3563 -0.0060 -0.0139 -0.0361 472 SER B N 2364 C CA . SER B 94 ? 0.3990 0.3974 0.3803 -0.0083 -0.0025 -0.0146 472 SER B CA 2365 C C . SER B 94 ? 0.4421 0.3941 0.4037 -0.0045 0.0212 0.0107 472 SER B C 2366 O O . SER B 94 ? 0.4029 0.3405 0.4099 0.0153 0.0027 0.0321 472 SER B O 2367 C CB . SER B 94 ? 0.4279 0.3955 0.5503 -0.0584 0.0025 0.0513 472 SER B CB 2368 O OG . SER B 94 ? 0.4648 0.4728 0.4171 -0.0647 -0.0137 -0.0104 472 SER B OG 2369 N N . PHE B 95 ? 0.4991 0.3776 0.3882 -0.0084 -0.0527 -0.0298 473 PHE B N 2370 C CA . PHE B 95 ? 0.5450 0.5001 0.4745 -0.0997 -0.0560 0.0470 473 PHE B CA 2371 C C . PHE B 95 ? 0.4813 0.5414 0.4984 -0.0881 -0.0220 0.0083 473 PHE B C 2372 O O . PHE B 95 ? 0.5815 0.5172 0.5057 -0.1486 -0.1419 0.0898 473 PHE B O 2373 C CB . PHE B 95 ? 0.5605 0.4626 0.5599 -0.0382 -0.1154 0.1418 473 PHE B CB 2374 C CG . PHE B 95 ? 0.5053 0.5268 0.6048 -0.0345 -0.0216 -0.0612 473 PHE B CG 2375 C CD1 . PHE B 95 ? 0.5555 0.6284 0.5832 0.0302 -0.0721 -0.0284 473 PHE B CD1 2376 C CD2 . PHE B 95 ? 0.5127 0.4501 0.5494 0.0000 -0.0215 0.0388 473 PHE B CD2 2377 C CE1 . PHE B 95 ? 0.5890 0.5083 0.4723 0.1352 -0.0861 -0.1090 473 PHE B CE1 2378 C CE2 . PHE B 95 ? 0.4948 0.3834 0.3922 -0.0127 0.0040 0.0935 473 PHE B CE2 2379 C CZ . PHE B 95 ? 0.5530 0.4635 0.3718 0.0208 -0.0863 0.0530 473 PHE B CZ 2380 N N . SER B 96 ? 0.4278 0.3490 0.4428 -0.0149 -0.0395 -0.0936 474 SER B N 2381 C CA . SER B 96 ? 0.3981 0.4475 0.4990 -0.0171 -0.0260 -0.0440 474 SER B CA 2382 C C . SER B 96 ? 0.5041 0.3916 0.4618 0.0373 -0.0328 -0.0370 474 SER B C 2383 O O . SER B 96 ? 0.5089 0.4428 0.5338 -0.0135 -0.0240 -0.0047 474 SER B O 2384 C CB . SER B 96 ? 0.4704 0.5177 0.5052 0.0851 -0.0204 -0.0238 474 SER B CB 2385 O OG . SER B 96 ? 0.5663 0.7007 0.5252 0.0533 0.0495 -0.0715 474 SER B OG 2386 N N . ASN B 97 ? 0.3638 0.3700 0.3457 0.0285 0.0076 -0.0771 475 ASN B N 2387 C CA . ASN B 97 ? 0.3324 0.3320 0.3782 0.0189 0.0254 0.0082 475 ASN B CA 2388 C C . ASN B 97 ? 0.3371 0.2836 0.3281 0.0099 -0.0055 0.0101 475 ASN B C 2389 O O . ASN B 97 ? 0.3131 0.3904 0.4077 0.0128 -0.0285 -0.0018 475 ASN B O 2390 C CB . ASN B 97 ? 0.4206 0.3338 0.3970 0.0448 0.0554 0.0276 475 ASN B CB 2391 C CG . ASN B 97 ? 0.4180 0.5233 0.4332 0.0300 0.0539 -0.0003 475 ASN B CG 2392 O OD1 . ASN B 97 ? 0.4105 0.4752 0.5890 -0.0327 0.0030 -0.0081 475 ASN B OD1 2393 N ND2 . ASN B 97 ? 0.5208 0.3982 0.5582 -0.0321 0.1647 -0.0655 475 ASN B ND2 2394 N N . PRO B 98 ? 0.3084 0.3011 0.2567 0.0190 -0.0295 0.0220 476 PRO B N 2395 C CA . PRO B 98 ? 0.2915 0.2889 0.2628 -0.0098 0.0207 0.0059 476 PRO B CA 2396 C C . PRO B 98 ? 0.2994 0.2612 0.3009 0.0002 0.0146 0.0037 476 PRO B C 2397 O O . PRO B 98 ? 0.3043 0.2537 0.3068 -0.0051 0.0157 0.0242 476 PRO B O 2398 C CB . PRO B 98 ? 0.2906 0.2454 0.2413 0.0229 0.0198 0.0179 476 PRO B CB 2399 C CG . PRO B 98 ? 0.2504 0.3543 0.2914 0.0353 0.0387 0.0114 476 PRO B CG 2400 C CD . PRO B 98 ? 0.3014 0.2555 0.2614 -0.0274 0.0133 -0.0054 476 PRO B CD 2401 N N . THR B 99 ? 0.2949 0.2517 0.3238 0.0108 0.0072 -0.0493 477 THR B N 2402 C CA . THR B 99 ? 0.3524 0.2953 0.3084 0.0245 0.0230 -0.0112 477 THR B CA 2403 C C . THR B 99 ? 0.3359 0.3427 0.3821 0.0322 0.0353 0.0360 477 THR B C 2404 O O . THR B 99 ? 0.4120 0.3200 0.3378 -0.0220 -0.0449 0.1188 477 THR B O 2405 C CB . THR B 99 ? 0.3151 0.3254 0.3221 0.0121 0.0447 -0.0130 477 THR B CB 2406 O OG1 . THR B 99 ? 0.3173 0.3329 0.3791 0.0205 0.0565 0.0121 477 THR B OG1 2407 C CG2 . THR B 99 ? 0.3491 0.2285 0.2574 0.0423 0.0122 0.0192 477 THR B CG2 2408 N N . CYS B 100 ? 0.3214 0.3500 0.3564 0.0111 -0.0191 0.0332 478 CYS B N 2409 C CA . CYS B 100 ? 0.3228 0.3641 0.3784 0.0144 -0.0442 -0.0304 478 CYS B CA 2410 C C . CYS B 100 ? 0.3346 0.3160 0.3556 0.0022 -0.0015 0.0415 478 CYS B C 2411 O O . CYS B 100 ? 0.3845 0.2939 0.3438 0.0166 -0.0308 -0.0158 478 CYS B O 2412 C CB . CYS B 100 ? 0.4297 0.3541 0.5116 0.0301 0.0462 -0.0617 478 CYS B CB 2413 S SG . CYS B 100 ? 0.6394 0.4682 0.5984 0.0600 0.0172 0.0073 478 CYS B SG 2414 N N . LEU B 101 ? 0.3224 0.2621 0.3326 0.0189 -0.0126 0.0359 479 LEU B N 2415 C CA . LEU B 101 ? 0.3809 0.3378 0.3758 0.0453 -0.0495 0.0284 479 LEU B CA 2416 C C . LEU B 101 ? 0.3712 0.3606 0.3803 0.0337 0.0167 -0.0084 479 LEU B C 2417 O O . LEU B 101 ? 0.3292 0.3704 0.3420 0.0716 -0.0135 -0.0059 479 LEU B O 2418 C CB . LEU B 101 ? 0.3864 0.3477 0.4466 0.0203 -0.0361 0.0283 479 LEU B CB 2419 C CG . LEU B 101 ? 0.5450 0.5484 0.4410 -0.1164 -0.0420 -0.0243 479 LEU B CG 2420 C CD1 . LEU B 101 ? 0.4678 0.6227 0.5422 -0.1120 0.0289 -0.1121 479 LEU B CD1 2421 C CD2 . LEU B 101 ? 0.4632 0.5664 0.7832 -0.0811 -0.0665 -0.0993 479 LEU B CD2 2422 N N . ILE B 102 ? 0.4091 0.3544 0.3386 0.0193 -0.0530 -0.0155 480 ILE B N 2423 C CA . ILE B 102 ? 0.3971 0.3715 0.4100 0.0363 -0.0225 -0.0127 480 ILE B CA 2424 C C . ILE B 102 ? 0.4057 0.3292 0.3968 0.0365 -0.0001 0.0174 480 ILE B C 2425 O O . ILE B 102 ? 0.4584 0.3486 0.3924 0.0539 -0.0105 0.0614 480 ILE B O 2426 C CB . ILE B 102 ? 0.4212 0.3916 0.4900 0.0169 -0.0231 -0.0074 480 ILE B CB 2427 C CG1 . ILE B 102 ? 0.4540 0.3740 0.5248 0.0388 -0.0544 -0.0368 480 ILE B CG1 2428 C CG2 . ILE B 102 ? 0.4577 0.4389 0.5244 0.0470 0.0543 0.0835 480 ILE B CG2 2429 C CD1 . ILE B 102 ? 0.5123 0.4720 0.5636 -0.0244 -0.0474 -0.0517 480 ILE B CD1 2430 N N . LEU B 103 ? 0.4139 0.3151 0.3605 0.0259 0.0225 0.0351 481 LEU B N 2431 C CA . LEU B 103 ? 0.4135 0.3559 0.3617 0.0510 0.0208 0.0457 481 LEU B CA 2432 C C . LEU B 103 ? 0.5876 0.3944 0.4402 0.0850 0.0416 0.0066 481 LEU B C 2433 O O . LEU B 103 ? 0.5762 0.3865 0.4114 0.1849 -0.0509 0.0186 481 LEU B O 2434 C CB . LEU B 103 ? 0.4091 0.3484 0.2989 0.0638 0.0536 0.0230 481 LEU B CB 2435 C CG . LEU B 103 ? 0.4202 0.3622 0.4177 0.0127 0.0857 -0.0440 481 LEU B CG 2436 C CD1 . LEU B 103 ? 0.3915 0.4394 0.4119 -0.0067 -0.0090 -0.0307 481 LEU B CD1 2437 C CD2 . LEU B 103 ? 0.4561 0.3301 0.2952 0.0342 0.0268 -0.0084 481 LEU B CD2 2438 N N . ALA B 104 ? 0.4733 0.3966 0.4505 0.0581 -0.0664 0.0551 482 ALA B N 2439 C CA . ALA B 104 ? 0.5112 0.4107 0.5114 0.0293 -0.0880 0.0093 482 ALA B CA 2440 C C . ALA B 104 ? 0.5244 0.4596 0.4919 0.0629 -0.0780 -0.0136 482 ALA B C 2441 O O . ALA B 104 ? 0.6324 0.3895 0.4324 0.1634 -0.0231 0.0572 482 ALA B O 2442 C CB . ALA B 104 ? 0.4772 0.2915 0.5666 0.0996 -0.0613 0.0040 482 ALA B CB 2443 N N . THR B 105 ? 0.6108 0.4546 0.4390 0.0759 -0.1023 -0.0724 483 THR B N 2444 C CA . THR B 105 ? 0.5722 0.4635 0.4760 0.0769 -0.0663 -0.0140 483 THR B CA 2445 C C . THR B 105 ? 0.6949 0.4045 0.4951 0.1097 0.0066 0.0144 483 THR B C 2446 O O . THR B 105 ? 0.7622 0.3898 0.5092 0.1619 -0.1467 0.1240 483 THR B O 2447 C CB . THR B 105 ? 0.5775 0.5524 0.4946 0.1020 -0.0468 0.0670 483 THR B CB 2448 O OG1 . THR B 105 ? 0.5976 0.4379 0.5083 0.1620 -0.1523 0.1206 483 THR B OG1 2449 C CG2 . THR B 105 ? 0.7037 0.4096 0.5531 0.2871 -0.0716 -0.0336 483 THR B CG2 2450 N N . VAL B 106 ? 0.6674 0.3470 0.4801 0.1539 -0.0560 0.0062 484 VAL B N 2451 C CA . VAL B 106 ? 0.6345 0.4507 0.5738 0.0515 0.0186 -0.0355 484 VAL B CA 2452 C C . VAL B 106 ? 0.5923 0.5095 0.6697 0.1011 -0.0834 0.0374 484 VAL B C 2453 O O . VAL B 106 ? 0.6487 0.4468 0.6097 0.1992 -0.1377 0.0935 484 VAL B O 2454 C CB . VAL B 106 ? 0.6168 0.5096 0.5639 0.0397 0.0403 0.0143 484 VAL B CB 2455 C CG1 . VAL B 106 ? 0.6800 0.5813 0.6315 0.0060 -0.0342 0.1600 484 VAL B CG1 2456 C CG2 . VAL B 106 ? 0.6204 0.4258 0.5366 0.0511 -0.1689 0.1079 484 VAL B CG2 2457 N N . PRO B 107 ? 0.7235 0.4459 0.7856 0.0690 -0.1219 0.0386 485 PRO B N 2458 C CA . PRO B 107 ? 0.7789 0.6089 0.7428 0.1520 -0.0994 -0.0158 485 PRO B CA 2459 C C . PRO B 107 ? 0.8243 0.4695 0.7934 0.1448 -0.0529 0.0145 485 PRO B C 2460 O O . PRO B 107 ? 0.7849 0.5705 0.6450 0.2448 -0.1241 0.1687 485 PRO B O 2461 C CB . PRO B 107 ? 0.8196 0.6585 0.7644 0.0923 -0.1439 -0.0115 485 PRO B CB 2462 C CG . PRO B 107 ? 0.7745 0.5877 0.7998 0.0977 -0.1222 -0.1044 485 PRO B CG 2463 C CD . PRO B 107 ? 0.6980 0.4591 0.7143 0.1478 -0.0991 0.0043 485 PRO B CD 2464 N N . HIS B 108 ? 0.6963 0.8048 0.7678 0.1167 -0.2612 0.1123 486 HIS B N 2465 C CA . HIS B 108 ? 0.7491 0.6584 0.9269 0.0552 -0.1646 0.1770 486 HIS B CA 2466 C C . HIS B 108 ? 0.8896 0.4825 0.7953 0.0489 -0.1458 0.2595 486 HIS B C 2467 O O . HIS B 108 ? 1.0067 0.4984 0.8687 0.1752 -0.0375 0.2793 486 HIS B O 2468 C CB . HIS B 108 ? 0.8166 0.4470 0.9039 0.0709 -0.2411 0.2802 486 HIS B CB 2469 C CG . HIS B 108 ? 0.8113 0.6759 0.8924 0.0002 -0.1263 0.2046 486 HIS B CG 2470 N ND1 . HIS B 108 ? 0.9937 0.8255 0.8081 0.0166 -0.0254 0.0186 486 HIS B ND1 2471 C CD2 . HIS B 108 ? 0.9577 0.5604 0.8547 0.0246 -0.1908 0.2818 486 HIS B CD2 2472 C CE1 . HIS B 108 ? 0.9500 0.8581 0.9527 0.0357 -0.0252 -0.0210 486 HIS B CE1 2473 N NE2 . HIS B 108 ? 0.8656 0.5314 0.8501 0.1269 -0.1469 0.1449 486 HIS B NE2 2474 N N . ASN B 109 ? 0.9400 0.6493 0.7759 0.0262 -0.1322 0.1653 487 ASN B N 2475 C CA . ASN B 109 ? 0.8995 0.8511 0.8364 -0.0104 -0.0058 0.1196 487 ASN B CA 2476 C C . ASN B 109 ? 0.9589 0.7318 0.8910 0.0365 -0.0040 0.1172 487 ASN B C 2477 O O . ASN B 109 ? 1.0401 0.3122 1.0549 -0.0146 -0.0572 -0.0049 487 ASN B O 2478 C CB . ASN B 109 ? 1.0395 1.0085 0.9099 0.0629 -0.0054 -0.1163 487 ASN B CB 2479 C CG . ASN B 109 ? 1.0566 1.0323 1.0149 0.1699 0.0355 -0.0593 487 ASN B CG 2480 O OD1 . ASN B 109 ? 0.9437 0.8636 1.2782 0.6799 -0.1532 -0.2215 487 ASN B OD1 2481 N ND2 . ASN B 109 ? 1.3180 0.8845 1.1402 0.2163 -0.1251 -0.0988 487 ASN B ND2 2482 N N . LEU B 110 ? 1.0284 0.7459 0.9308 0.0969 -0.1253 0.1322 488 LEU B N 2483 C CA . LEU B 110 ? 1.0779 0.7198 0.8246 0.0194 -0.0973 0.0506 488 LEU B CA 2484 C C . LEU B 110 ? 1.1760 0.7319 0.7514 -0.0151 -0.0421 0.1818 488 LEU B C 2485 O O . LEU B 110 ? 1.2544 0.6597 0.8480 -0.0316 -0.0718 0.3833 488 LEU B O 2486 C CB . LEU B 110 ? 0.8480 0.7363 0.8364 0.0708 -0.2922 0.0245 488 LEU B CB 2487 C CG . LEU B 110 ? 0.9276 0.6014 0.8980 0.0336 -0.1318 0.0336 488 LEU B CG 2488 C CD1 . LEU B 110 ? 0.9058 0.7470 0.9579 -0.0218 -0.2025 0.2641 488 LEU B CD1 2489 C CD2 . LEU B 110 ? 1.1724 0.6543 0.6972 0.0868 -0.2421 -0.0685 488 LEU B CD2 2490 N N . THR B 111 ? 1.1920 0.5355 0.8725 -0.1215 -0.0463 0.1130 489 THR B N 2491 C CA . THR B 111 ? 1.0522 0.6211 0.8206 -0.0006 0.0594 0.1081 489 THR B CA 2492 C C . THR B 111 ? 0.8865 0.5613 0.8399 0.0096 -0.0602 0.0751 489 THR B C 2493 O O . THR B 111 ? 1.2560 0.4973 0.8941 -0.0642 -0.2047 0.0850 489 THR B O 2494 C CB . THR B 111 ? 0.8429 0.7184 0.9845 0.0436 -0.0507 0.2006 489 THR B CB 2495 O OG1 . THR B 111 ? 0.9833 0.5327 0.9604 -0.0467 -0.0874 0.3438 489 THR B OG1 2496 C CG2 . THR B 111 ? 0.9361 0.4792 0.8514 0.0334 0.0299 0.2809 489 THR B CG2 2497 N N . THR B 112 ? 0.6953 0.3241 0.8232 -0.1178 0.0162 0.0377 490 THR B N 2498 C CA . THR B 112 ? 0.6333 0.5534 0.8542 -0.0141 -0.0374 0.0343 490 THR B CA 2499 C C . THR B 112 ? 0.6754 0.5790 0.6651 -0.0412 -0.0024 0.0749 490 THR B C 2500 O O . THR B 112 ? 0.8321 0.5506 0.6684 -0.0272 -0.0398 -0.0255 490 THR B O 2501 C CB . THR B 112 ? 0.7325 0.5207 0.6561 -0.0507 -0.0312 -0.0639 490 THR B CB 2502 O OG1 . THR B 112 ? 0.8073 0.6714 0.9767 -0.0767 0.1315 -0.1553 490 THR B OG1 2503 C CG2 . THR B 112 ? 0.8344 0.2851 0.7089 -0.1355 0.0818 0.1076 490 THR B CG2 2504 N N . ILE B 113 ? 0.6912 0.5693 0.7044 -0.0623 -0.0695 0.1804 491 ILE B N 2505 C CA . ILE B 113 ? 0.6809 0.5776 0.5957 -0.0548 -0.0516 0.0433 491 ILE B CA 2506 C C . ILE B 113 ? 0.6399 0.5393 0.5944 -0.0275 -0.0379 0.1145 491 ILE B C 2507 O O . ILE B 113 ? 0.8144 0.5251 0.7315 0.1502 0.0113 0.1183 491 ILE B O 2508 C CB . ILE B 113 ? 0.6902 0.5667 0.6492 -0.0381 -0.1053 0.1096 491 ILE B CB 2509 C CG1 . ILE B 113 ? 0.6562 0.6303 0.6242 -0.0024 -0.0995 0.1160 491 ILE B CG1 2510 C CG2 . ILE B 113 ? 0.6781 0.5699 0.5370 -0.0197 -0.0546 0.1006 491 ILE B CG2 2511 C CD1 . ILE B 113 ? 0.6560 0.4572 0.6145 0.1518 -0.0817 0.0619 491 ILE B CD1 2512 N N . THR B 114 ? 0.6369 0.3884 0.6937 0.0005 0.0398 0.1136 492 THR B N 2513 C CA . THR B 114 ? 0.7796 0.5313 0.6793 -0.0190 -0.0541 0.0973 492 THR B CA 2514 C C . THR B 114 ? 0.6148 0.5791 0.7067 0.0105 -0.0555 0.1863 492 THR B C 2515 O O . THR B 114 ? 0.7327 0.4418 0.6736 -0.0279 0.0216 0.2022 492 THR B O 2516 C CB . THR B 114 ? 0.8402 0.6268 0.7383 0.0231 0.0163 0.2216 492 THR B CB 2517 O OG1 . THR B 114 ? 0.8105 0.5800 0.8557 0.0039 -0.0885 0.2297 492 THR B OG1 2518 C CG2 . THR B 114 ? 1.0143 0.6475 1.0203 -0.0407 -0.0749 0.2219 492 THR B CG2 2519 N N . LYS B 115 ? 0.6160 0.5807 0.5453 -0.0347 -0.1019 0.1042 493 LYS B N 2520 C CA . LYS B 115 ? 0.6306 0.5560 0.5032 0.0142 0.0118 0.0634 493 LYS B CA 2521 C C . LYS B 115 ? 0.7344 0.4917 0.5370 0.0013 -0.0664 0.0774 493 LYS B C 2522 O O . LYS B 115 ? 0.6252 0.3818 0.5793 -0.0306 -0.0650 0.1376 493 LYS B O 2523 C CB . LYS B 115 ? 0.6328 0.4633 0.5094 0.0443 -0.0074 0.1022 493 LYS B CB 2524 C CG . LYS B 115 ? 0.7216 0.3149 0.5277 0.0444 0.0046 0.1501 493 LYS B CG 2525 C CD . LYS B 115 ? 0.6132 0.5158 0.7277 0.0293 -0.0008 0.0648 493 LYS B CD 2526 C CE . LYS B 115 ? 0.6764 0.4093 0.9022 0.0018 -0.0463 0.1442 493 LYS B CE 2527 N NZ . LYS B 115 ? 0.8831 0.3319 0.8892 0.1535 -0.0568 0.3255 493 LYS B NZ 2528 N N . PRO B 116 ? 0.6529 0.4368 0.5091 0.0049 -0.0299 0.0069 494 PRO B N 2529 C CA . PRO B 116 ? 0.4853 0.4544 0.4144 0.0073 -0.0780 0.0652 494 PRO B CA 2530 C C . PRO B 116 ? 0.4470 0.3141 0.3918 0.0518 -0.0174 0.0538 494 PRO B C 2531 O O . PRO B 116 ? 0.5431 0.2864 0.3731 0.1102 -0.0063 0.0810 494 PRO B O 2532 C CB . PRO B 116 ? 0.5113 0.3517 0.4456 -0.0188 -0.0681 -0.0066 494 PRO B CB 2533 C CG . PRO B 116 ? 0.6608 0.4112 0.3929 -0.0261 0.0303 0.1565 494 PRO B CG 2534 C CD . PRO B 116 ? 0.6347 0.4672 0.4925 -0.0202 0.0163 0.0470 494 PRO B CD 2535 N N . LEU B 117 ? 0.4980 0.4051 0.3720 0.0543 -0.0639 0.0356 495 LEU B N 2536 C CA . LEU B 117 ? 0.4522 0.3354 0.4725 0.0594 -0.0148 0.0335 495 LEU B CA 2537 C C . LEU B 117 ? 0.4474 0.4218 0.4190 0.1089 -0.0249 0.0371 495 LEU B C 2538 O O . LEU B 117 ? 0.4718 0.4243 0.3309 0.1320 -0.0474 0.1039 495 LEU B O 2539 C CB . LEU B 117 ? 0.5918 0.4782 0.4483 0.1057 -0.0472 0.0167 495 LEU B CB 2540 C CG . LEU B 117 ? 0.6668 0.5043 0.5401 0.0387 -0.1105 -0.0567 495 LEU B CG 2541 C CD1 . LEU B 117 ? 0.7206 0.4859 0.5740 0.0545 -0.0803 -0.0015 495 LEU B CD1 2542 C CD2 . LEU B 117 ? 0.7443 0.5061 0.4699 0.1344 0.0268 0.0581 495 LEU B CD2 2543 N N . LYS B 118 ? 0.4582 0.4064 0.3378 0.0270 -0.0699 0.0541 496 LYS B N 2544 C CA . LYS B 118 ? 0.3951 0.3982 0.3433 0.0388 -0.0368 0.0206 496 LYS B CA 2545 C C . LYS B 118 ? 0.3841 0.4300 0.3460 0.0023 -0.0269 0.0610 496 LYS B C 2546 O O . LYS B 118 ? 0.3985 0.4175 0.3782 0.0382 0.0167 0.1185 496 LYS B O 2547 C CB . LYS B 118 ? 0.3758 0.4570 0.2954 0.0490 -0.0566 0.0164 496 LYS B CB 2548 C CG . LYS B 118 ? 0.4381 0.4184 0.3080 0.0664 -0.0763 -0.0038 496 LYS B CG 2549 C CD . LYS B 118 ? 0.4147 0.4095 0.3718 -0.0442 -0.0769 0.0812 496 LYS B CD 2550 C CE . LYS B 118 ? 0.5399 0.4157 0.3488 0.0346 -0.0889 0.0446 496 LYS B CE 2551 N NZ . LYS B 118 ? 0.4838 0.4669 0.3246 0.0307 -0.1260 0.0915 496 LYS B NZ 2552 N N . TYR B 119 ? 0.4108 0.3774 0.2991 0.0309 -0.0254 0.0473 497 TYR B N 2553 C CA . TYR B 119 ? 0.4453 0.3543 0.3088 0.0540 -0.0199 0.0196 497 TYR B CA 2554 C C . TYR B 119 ? 0.3722 0.3941 0.3415 0.0450 -0.0119 -0.0119 497 TYR B C 2555 O O . TYR B 119 ? 0.3831 0.4158 0.3758 0.0066 -0.0482 0.0306 497 TYR B O 2556 C CB . TYR B 119 ? 0.3991 0.3507 0.3218 0.0743 -0.0056 0.0287 497 TYR B CB 2557 C CG . TYR B 119 ? 0.3694 0.3519 0.3080 0.0210 -0.0373 0.0277 497 TYR B CG 2558 C CD1 . TYR B 119 ? 0.3680 0.3252 0.3829 0.0455 -0.0872 0.0597 497 TYR B CD1 2559 C CD2 . TYR B 119 ? 0.3921 0.3591 0.3752 0.0110 0.0390 0.0179 497 TYR B CD2 2560 C CE1 . TYR B 119 ? 0.3629 0.3634 0.3575 0.0179 0.0083 0.0349 497 TYR B CE1 2561 C CE2 . TYR B 119 ? 0.3661 0.3443 0.3275 0.0021 -0.0279 0.0452 497 TYR B CE2 2562 C CZ . TYR B 119 ? 0.3673 0.3173 0.3680 0.0086 -0.0191 0.0375 497 TYR B CZ 2563 O OH . TYR B 119 ? 0.4237 0.3228 0.3228 0.0334 -0.0264 0.0434 497 TYR B OH 2564 N N . SER B 120 ? 0.3788 0.4030 0.3176 0.0862 -0.0312 0.0182 498 SER B N 2565 C CA . SER B 120 ? 0.3752 0.3652 0.3733 0.0597 -0.0127 0.0621 498 SER B CA 2566 C C . SER B 120 ? 0.3887 0.3435 0.2477 -0.0202 -0.0138 0.0721 498 SER B C 2567 O O . SER B 120 ? 0.3365 0.3704 0.2990 0.0033 -0.0342 0.0945 498 SER B O 2568 C CB . SER B 120 ? 0.4569 0.3954 0.3354 0.0439 -0.0058 -0.0087 498 SER B CB 2569 O OG . SER B 120 ? 0.4981 0.5158 0.4039 0.0092 0.0018 0.0448 498 SER B OG 2570 N N . TYR B 121 ? 0.3133 0.3276 0.2467 0.0162 -0.0226 0.0241 499 TYR B N 2571 C CA . TYR B 121 ? 0.3621 0.2946 0.3049 0.0203 -0.0029 0.0316 499 TYR B CA 2572 C C . TYR B 121 ? 0.3410 0.3295 0.3089 0.0122 -0.0014 0.0031 499 TYR B C 2573 O O . TYR B 121 ? 0.3398 0.4034 0.3165 -0.0449 -0.0126 0.0753 499 TYR B O 2574 C CB . TYR B 121 ? 0.2996 0.2625 0.2748 -0.0100 -0.0432 0.0246 499 TYR B CB 2575 C CG . TYR B 121 ? 0.3450 0.3172 0.3226 -0.0026 0.0258 0.0074 499 TYR B CG 2576 C CD1 . TYR B 121 ? 0.3368 0.3122 0.3501 -0.0019 -0.0611 0.0739 499 TYR B CD1 2577 C CD2 . TYR B 121 ? 0.3725 0.3409 0.3290 -0.0216 -0.0005 0.0728 499 TYR B CD2 2578 C CE1 . TYR B 121 ? 0.3742 0.3733 0.3692 0.0037 -0.0145 0.0937 499 TYR B CE1 2579 C CE2 . TYR B 121 ? 0.3779 0.3421 0.2915 -0.0218 -0.0456 0.1256 499 TYR B CE2 2580 C CZ . TYR B 121 ? 0.3981 0.3601 0.4309 -0.0066 -0.0417 0.0709 499 TYR B CZ 2581 O OH . TYR B 121 ? 0.4501 0.5307 0.4133 -0.0666 -0.0323 0.1017 499 TYR B OH 2582 N N . ILE B 122 ? 0.3489 0.3164 0.2834 0.0103 0.0139 0.0609 500 ILE B N 2583 C CA . ILE B 122 ? 0.3283 0.3478 0.3005 0.0014 0.0134 0.0185 500 ILE B CA 2584 C C . ILE B 122 ? 0.3591 0.3586 0.3414 -0.0303 -0.0405 0.0729 500 ILE B C 2585 O O . ILE B 122 ? 0.4286 0.3253 0.3143 0.0284 0.0078 0.0376 500 ILE B O 2586 C CB . ILE B 122 ? 0.3281 0.2974 0.3199 -0.0148 0.0331 0.0273 500 ILE B CB 2587 C CG1 . ILE B 122 ? 0.3368 0.2889 0.3474 -0.0207 0.0570 0.0276 500 ILE B CG1 2588 C CG2 . ILE B 122 ? 0.2969 0.2673 0.2142 -0.0386 -0.0213 0.0489 500 ILE B CG2 2589 C CD1 . ILE B 122 ? 0.3603 0.3089 0.3405 -0.0109 0.0579 -0.0302 500 ILE B CD1 2590 N N . ASN B 123 ? 0.4344 0.3609 0.3197 -0.0477 -0.0437 0.0148 501 ASN B N 2591 C CA . ASN B 123 ? 0.4135 0.4094 0.3457 -0.0143 -0.0253 0.0404 501 ASN B CA 2592 C C . ASN B 123 ? 0.4161 0.4151 0.3972 -0.0377 -0.0264 -0.0061 501 ASN B C 2593 O O . ASN B 123 ? 0.4691 0.3958 0.4749 -0.0529 -0.0151 0.0239 501 ASN B O 2594 C CB . ASN B 123 ? 0.4335 0.4209 0.4320 -0.0158 -0.0873 0.0324 501 ASN B CB 2595 C CG . ASN B 123 ? 0.5642 0.4467 0.4686 0.0075 -0.0853 -0.0133 501 ASN B CG 2596 O OD1 . ASN B 123 ? 0.4804 0.4136 0.4932 -0.0389 -0.0800 0.0165 501 ASN B OD1 2597 N ND2 . ASN B 123 ? 0.4972 0.4669 0.5053 -0.0184 -0.0378 0.0662 501 ASN B ND2 2598 N N . LYS B 124 ? 0.4371 0.4644 0.3247 -0.0348 -0.0600 -0.0609 502 LYS B N 2599 C CA . LYS B 124 ? 0.4709 0.4509 0.4407 -0.0349 -0.0123 -0.0335 502 LYS B CA 2600 C C . LYS B 124 ? 0.4393 0.4016 0.4101 -0.0135 -0.0479 0.0044 502 LYS B C 2601 O O . LYS B 124 ? 0.4688 0.4012 0.3323 -0.0231 -0.0123 -0.0507 502 LYS B O 2602 C CB . LYS B 124 ? 0.6045 0.5345 0.4985 -0.1012 -0.0727 -0.0575 502 LYS B CB 2603 C CG . LYS B 124 ? 0.6579 0.5490 0.5713 -0.0195 -0.0588 -0.0406 502 LYS B CG 2604 C CD . LYS B 124 ? 0.8612 0.7190 0.7892 -0.1835 -0.1256 -0.1195 502 LYS B CD 2605 C CE . LYS B 124 ? 1.0072 0.8966 0.8970 -0.1761 -0.0014 -0.1732 502 LYS B CE 2606 N NZ . LYS B 124 ? 0.7652 1.0637 1.0645 -0.2622 0.0492 0.1431 502 LYS B NZ 2607 N N . CYS B 125 ? 0.4967 0.3828 0.4010 0.0238 -0.0190 0.0488 503 CYS B N 2608 C CA . CYS B 125 ? 0.4774 0.4459 0.4314 -0.0037 -0.0214 0.0315 503 CYS B CA 2609 C C . CYS B 125 ? 0.5201 0.5027 0.4950 0.0659 -0.1424 -0.0320 503 CYS B C 2610 O O . CYS B 125 ? 0.6358 0.4400 0.4997 0.0355 0.0078 -0.0167 503 CYS B O 2611 C CB . CYS B 125 ? 0.5844 0.4958 0.4833 -0.0041 -0.0911 -0.0130 503 CYS B CB 2612 S SG . CYS B 125 ? 0.6861 0.5401 0.5877 -0.0005 -0.0365 -0.0052 503 CYS B SG 2613 N N . SER B 126 ? 0.5559 0.5747 0.4497 0.0989 -0.0178 0.0100 504 SER B N 2614 C CA . SER B 126 ? 0.6211 0.5577 0.4896 -0.0253 -0.0148 -0.0289 504 SER B CA 2615 C C . SER B 126 ? 0.6846 0.6395 0.5916 0.0349 0.0252 -0.0444 504 SER B C 2616 O O . SER B 126 ? 0.9799 0.4196 0.5845 0.0432 -0.0069 -0.1170 504 SER B O 2617 C CB . SER B 126 ? 0.6176 0.5920 0.6182 -0.0400 -0.0529 -0.1550 504 SER B CB 2618 O OG . SER B 126 ? 0.6274 0.6604 0.7250 -0.1241 0.0359 -0.0778 504 SER B OG 2619 N N . ARG B 127 ? 0.6783 0.7171 0.5985 -0.0094 -0.1423 -0.0025 505 ARG B N 2620 C CA . ARG B 127 ? 0.8893 0.7739 0.5749 0.0150 -0.1593 -0.0641 505 ARG B CA 2621 C C . ARG B 127 ? 1.1694 0.5826 0.8846 -0.0251 -0.1097 0.0198 505 ARG B C 2622 O O . ARG B 127 ? 1.4814 0.4350 0.7719 -0.0350 0.0027 -0.1445 505 ARG B O 2623 C CB . ARG B 127 ? 0.8986 0.8273 0.6685 0.1292 -0.1306 -0.1046 505 ARG B CB 2624 C CG . ARG B 127 ? 1.0283 1.1361 0.7217 0.1178 -0.0413 -0.0776 505 ARG B CG 2625 C CD . ARG B 127 ? 1.0227 1.4621 1.1883 0.1187 -0.0368 0.0409 505 ARG B CD 2626 N NE . ARG B 127 ? 1.1961 1.6111 1.2521 0.0813 0.2876 0.1812 505 ARG B NE 2627 C CZ . ARG B 127 ? 1.2149 1.9271 1.3920 0.0598 0.0580 -0.0092 505 ARG B CZ 2628 N NH1 . ARG B 127 ? 1.5351 2.1451 1.3495 0.0540 0.0359 -0.2383 505 ARG B NH1 2629 N NH2 . ARG B 127 ? 1.4661 1.9572 1.3794 0.1555 0.1920 0.0804 505 ARG B NH2 2630 N N . LEU B 128 ? 1.4386 0.9331 0.9356 -0.0321 -0.1303 -0.0718 506 LEU B N 2631 C CA . LEU B 128 ? 1.3942 1.0038 1.0411 -0.0018 -0.0888 -0.1701 506 LEU B CA 2632 C C . LEU B 128 ? 1.7019 1.0228 0.8112 0.0073 0.0210 -0.2805 506 LEU B C 2633 O O . LEU B 128 ? 1.8182 0.6671 0.8998 0.1206 0.2220 -0.3154 506 LEU B O 2634 C CB . LEU B 128 ? 1.2981 1.1019 1.1864 -0.2095 -0.2945 -0.3185 506 LEU B CB 2635 C CG . LEU B 128 ? 1.1528 1.2450 1.4985 -0.0653 -0.0844 0.0581 506 LEU B CG 2636 C CD1 . LEU B 128 ? 1.3966 0.9265 1.4932 -0.0068 -0.0258 0.0339 506 LEU B CD1 2637 C CD2 . LEU B 128 ? 1.5062 1.3878 1.5011 -0.0464 -0.0729 -0.0473 506 LEU B CD2 2638 N N . LEU B 129 ? 1.8460 0.9617 0.6673 -0.0096 -0.2919 -0.4890 507 LEU B N 2639 C CA . LEU B 129 ? 1.7321 1.2798 1.3245 0.1239 -0.0927 -0.1647 507 LEU B CA 2640 C C . LEU B 129 ? 1.7598 1.2404 1.4175 -0.0597 -0.0321 -0.2371 507 LEU B C 2641 O O . LEU B 129 ? 1.9001 1.1394 1.4777 -0.0729 -0.2633 -0.4769 507 LEU B O 2642 C CB . LEU B 129 ? 1.4805 1.2810 1.5564 0.1377 -0.3202 -0.1891 507 LEU B CB 2643 C CG . LEU B 129 ? 1.3478 1.2160 1.6539 0.1097 -0.1763 -0.2156 507 LEU B CG 2644 C CD1 . LEU B 129 ? 1.0264 1.2686 1.7726 0.1321 -0.2329 -0.2587 507 LEU B CD1 2645 C CD2 . LEU B 129 ? 1.0192 1.1855 1.5632 0.1863 -0.0030 -0.2666 507 LEU B CD2 2646 N N . SER B 130 ? 1.7835 1.2455 1.3984 0.0325 -0.0141 -0.1737 508 SER B N 2647 C CA . SER B 130 ? 1.4171 1.3066 1.3725 0.0722 0.0722 -0.1879 508 SER B CA 2648 C C . SER B 130 ? 1.6246 1.3475 1.2420 -0.0760 0.1286 -0.2584 508 SER B C 2649 O O . SER B 130 ? 1.7999 1.2382 0.9971 -0.1712 0.2588 -0.1976 508 SER B O 2650 C CB . SER B 130 ? 1.4681 1.2205 1.0896 0.3264 -0.2151 -0.1782 508 SER B CB 2651 O OG . SER B 130 ? 1.4162 0.9138 1.1607 0.5052 -0.3745 -0.5161 508 SER B OG 2652 N N . ASP B 131 ? 1.7793 1.3770 1.3159 -0.0702 0.1105 -0.1866 509 ASP B N 2653 C CA . ASP B 131 ? 1.7336 1.4471 1.4388 -0.0773 -0.1242 -0.1511 509 ASP B CA 2654 C C . ASP B 131 ? 1.6045 1.4584 1.4856 -0.2102 -0.1466 -0.1971 509 ASP B C 2655 O O . ASP B 131 ? 1.4150 1.5054 1.4977 -0.2490 -0.2188 0.0709 509 ASP B O 2656 C CB . ASP B 131 ? 1.9490 1.4399 1.5462 -0.1055 -0.1838 -0.0870 509 ASP B CB 2657 C CG . ASP B 131 ? 2.0135 1.7499 1.4458 -0.0316 0.0827 0.1032 509 ASP B CG 2658 O OD1 . ASP B 131 ? 1.9647 1.7722 1.3836 -0.1108 0.5635 0.3047 509 ASP B OD1 2659 O OD2 . ASP B 131 ? 1.8530 1.2571 1.5946 0.3688 -0.1587 0.0720 509 ASP B OD2 2660 N N . ASP B 132 ? 1.4959 1.5383 1.7147 0.1812 -0.0904 -0.0196 510 ASP B N 2661 C CA . ASP B 132 ? 1.4103 1.8208 1.5856 0.1202 -0.0654 0.1224 510 ASP B CA 2662 C C . ASP B 132 ? 1.4394 1.8117 1.5945 0.1503 -0.0148 0.1232 510 ASP B C 2663 O O . ASP B 132 ? 1.4269 1.7117 1.1975 0.2847 -0.0338 0.1480 510 ASP B O 2664 C CB . ASP B 132 ? 1.3786 1.7663 1.6033 0.1260 -0.0759 0.0547 510 ASP B CB 2665 C CG . ASP B 132 ? 1.6122 1.4934 1.6992 0.0568 -0.0733 0.1489 510 ASP B CG 2666 O OD1 . ASP B 132 ? 1.5730 1.3405 1.9904 0.1367 0.0803 0.2689 510 ASP B OD1 2667 O OD2 . ASP B 132 ? 1.3605 1.3833 1.6939 0.1480 -0.2239 -0.1573 510 ASP B OD2 2668 N N . ARG B 133 ? 1.7813 1.8354 1.6222 0.1910 -0.0625 0.1393 511 ARG B N 2669 C CA . ARG B 133 ? 1.9103 1.8333 1.7726 -0.0412 0.1255 -0.1226 511 ARG B CA 2670 C C . ARG B 133 ? 1.5700 1.9893 1.8244 0.0110 0.1427 -0.2402 511 ARG B C 2671 O O . ARG B 133 ? 1.5000 2.1930 1.7787 0.1535 0.0906 -0.2470 511 ARG B O 2672 C CB . ARG B 133 ? 2.1387 1.7950 1.8894 -0.0598 0.1180 -0.0738 511 ARG B CB 2673 C CG . ARG B 133 ? 2.1995 1.8466 1.7392 -0.0766 0.1322 -0.0277 511 ARG B CG 2674 C CD . ARG B 133 ? 2.1591 1.9399 1.7117 0.1571 0.1012 0.2606 511 ARG B CD 2675 N NE . ARG B 133 ? 2.0042 1.7128 1.7553 0.3176 0.1005 0.1683 511 ARG B NE 2676 C CZ . ARG B 133 ? 1.7583 1.5132 1.7188 0.3516 -0.0014 0.1538 511 ARG B CZ 2677 N NH1 . ARG B 133 ? 1.7138 1.0628 2.0324 0.3100 0.2174 0.3172 511 ARG B NH1 2678 N NH2 . ARG B 133 ? 1.6314 1.3522 1.6728 0.4301 0.0807 0.1282 511 ARG B NH2 2679 N N . THR B 134 ? 1.7702 1.3230 1.5961 -0.0030 0.0543 -0.4696 512 THR B N 2680 C CA . THR B 134 ? 1.4725 1.2130 1.4831 0.0598 -0.0142 -0.2870 512 THR B CA 2681 C C . THR B 134 ? 1.5760 1.2799 1.1601 -0.1476 0.0806 0.0207 512 THR B C 2682 O O . THR B 134 ? 1.4238 0.6679 0.8376 -0.3759 -0.2882 -0.1864 512 THR B O 2683 C CB . THR B 134 ? 1.5020 1.1731 1.4152 0.1941 0.0265 -0.2306 512 THR B CB 2684 O OG1 . THR B 134 ? 1.4388 1.0409 1.3308 0.1419 -0.0197 -0.2751 512 THR B OG1 2685 C CG2 . THR B 134 ? 1.3841 1.3483 1.1350 0.0454 -0.0544 -0.0184 512 THR B CG2 2686 N N . GLU B 135 ? 1.5814 1.0715 1.1507 -0.1093 -0.0372 -0.0571 513 GLU B N 2687 C CA . GLU B 135 ? 1.1371 1.0201 1.0234 0.0516 -0.0857 0.0783 513 GLU B CA 2688 C C . GLU B 135 ? 1.0674 1.1150 1.0530 -0.1901 -0.0160 -0.0478 513 GLU B C 2689 O O . GLU B 135 ? 1.1159 0.8669 0.9907 -0.0295 -0.0384 0.0420 513 GLU B O 2690 C CB . GLU B 135 ? 1.0941 1.0560 0.9338 0.0445 -0.1006 0.1400 513 GLU B CB 2691 C CG . GLU B 135 ? 1.1024 1.0682 0.9431 -0.1301 -0.0927 -0.1411 513 GLU B CG 2692 C CD . GLU B 135 ? 1.1593 1.0961 1.0655 -0.1043 -0.0327 -0.1087 513 GLU B CD 2693 O OE1 . GLU B 135 ? 1.5889 0.4155 1.2696 -0.2153 -0.0948 -0.1615 513 GLU B OE1 2694 O OE2 . GLU B 135 ? 1.5391 1.0669 1.1908 -0.0320 0.0554 -0.0892 513 GLU B OE2 2695 N N . VAL B 136 ? 0.9934 0.9973 0.8576 -0.0793 -0.0933 -0.0106 514 VAL B N 2696 C CA . VAL B 136 ? 0.8207 0.6912 0.8503 -0.0411 -0.0696 0.0519 514 VAL B CA 2697 C C . VAL B 136 ? 0.7036 0.6917 0.5841 0.0280 -0.0253 0.0173 514 VAL B C 2698 O O . VAL B 136 ? 0.6658 0.3312 0.7305 -0.0002 -0.0874 -0.0573 514 VAL B O 2699 C CB . VAL B 136 ? 0.8043 0.8710 0.7922 0.0105 -0.0411 -0.0377 514 VAL B CB 2700 C CG1 . VAL B 136 ? 0.7376 0.9963 0.8124 -0.0887 -0.0628 0.0118 514 VAL B CG1 2701 C CG2 . VAL B 136 ? 0.8566 0.5848 0.9336 -0.1062 -0.1168 -0.1249 514 VAL B CG2 2702 N N . PRO B 137 ? 0.7443 0.6419 0.6718 -0.0017 -0.0030 0.0032 515 PRO B N 2703 C CA . PRO B 137 ? 0.5888 0.6252 0.6041 -0.0625 -0.0235 0.0124 515 PRO B CA 2704 C C . PRO B 137 ? 0.6006 0.5129 0.4317 -0.0097 -0.0894 -0.0193 515 PRO B C 2705 O O . PRO B 137 ? 0.6285 0.5303 0.6115 0.0551 -0.1243 0.0425 515 PRO B O 2706 C CB . PRO B 137 ? 0.6170 0.6161 0.6269 -0.0023 0.0038 0.0147 515 PRO B CB 2707 C CG . PRO B 137 ? 0.6116 0.6885 0.6916 0.0026 0.0333 0.0213 515 PRO B CG 2708 C CD . PRO B 137 ? 0.7499 0.6739 0.6421 -0.0279 0.0075 -0.0164 515 PRO B CD 2709 N N . GLN B 138 ? 0.6155 0.5060 0.3915 -0.0338 -0.0860 -0.0582 516 GLN B N 2710 C CA . GLN B 138 ? 0.5244 0.4679 0.4464 0.0349 -0.0770 -0.0351 516 GLN B CA 2711 C C . GLN B 138 ? 0.5560 0.4675 0.4145 0.0506 -0.0384 0.0009 516 GLN B C 2712 O O . GLN B 138 ? 0.6124 0.4264 0.5201 0.0803 -0.0419 -0.0115 516 GLN B O 2713 C CB . GLN B 138 ? 0.4299 0.5186 0.5252 0.0792 -0.0133 -0.0457 516 GLN B CB 2714 C CG . GLN B 138 ? 0.6447 0.5255 0.6194 0.0300 -0.1151 -0.0974 516 GLN B CG 2715 C CD . GLN B 138 ? 0.6584 0.4994 0.8697 0.1287 -0.0610 -0.1363 516 GLN B CD 2716 O OE1 . GLN B 138 ? 0.5807 0.7595 1.1058 0.1908 0.0975 -0.0395 516 GLN B OE1 2717 N NE2 . GLN B 138 ? 0.7069 0.6126 0.9011 0.0858 0.0751 -0.0943 516 GLN B NE2 2718 N N . LEU B 139 ? 0.3223 0.3918 0.3885 0.0298 -0.0086 -0.0264 517 LEU B N 2719 C CA . LEU B 139 ? 0.3204 0.3495 0.3346 0.0007 -0.0197 0.0140 517 LEU B CA 2720 C C . LEU B 139 ? 0.3399 0.3283 0.2876 -0.0019 0.0181 0.0467 517 LEU B C 2721 O O . LEU B 139 ? 0.3486 0.3703 0.3479 0.0284 -0.0188 0.0562 517 LEU B O 2722 C CB . LEU B 139 ? 0.3411 0.3350 0.3319 0.0111 0.0147 0.0005 517 LEU B CB 2723 C CG . LEU B 139 ? 0.3998 0.3568 0.3662 -0.0606 0.0729 -0.0211 517 LEU B CG 2724 C CD1 . LEU B 139 ? 0.4682 0.4345 0.3943 -0.1156 -0.0033 -0.0448 517 LEU B CD1 2725 C CD2 . LEU B 139 ? 0.4290 0.3384 0.3962 -0.0227 0.1548 -0.0376 517 LEU B CD2 2726 N N . VAL B 140 ? 0.3498 0.3087 0.3152 0.0132 0.0185 0.0700 518 VAL B N 2727 C CA . VAL B 140 ? 0.4195 0.3801 0.3679 -0.0228 0.0128 -0.0505 518 VAL B CA 2728 C C . VAL B 140 ? 0.3944 0.4426 0.4429 0.0054 0.0075 0.0000 518 VAL B C 2729 O O . VAL B 140 ? 0.4263 0.3580 0.4153 -0.0343 -0.0173 0.0021 518 VAL B O 2730 C CB . VAL B 140 ? 0.4501 0.3802 0.4747 -0.0190 0.0727 0.0021 518 VAL B CB 2731 C CG1 . VAL B 140 ? 0.5985 0.3501 0.4331 -0.0139 0.0626 -0.0192 518 VAL B CG1 2732 C CG2 . VAL B 140 ? 0.4281 0.4132 0.5759 0.0132 0.0362 0.1182 518 VAL B CG2 2733 N N . ASN B 141 ? 0.3629 0.2923 0.4497 0.0261 0.0313 -0.0606 519 ASN B N 2734 C CA . ASN B 141 ? 0.4210 0.3958 0.4155 0.0078 0.0249 -0.0154 519 ASN B CA 2735 C C . ASN B 141 ? 0.5037 0.3985 0.4406 0.0279 0.0275 -0.0257 519 ASN B C 2736 O O . ASN B 141 ? 0.3545 0.3841 0.4448 -0.0271 -0.0277 -0.0153 519 ASN B O 2737 C CB . ASN B 141 ? 0.4232 0.3701 0.3327 0.0297 0.0272 -0.0086 519 ASN B CB 2738 C CG . ASN B 141 ? 0.4460 0.3634 0.4502 0.0044 0.0476 0.0090 519 ASN B CG 2739 O OD1 . ASN B 141 ? 0.5226 0.3953 0.5306 0.0038 0.0838 0.0904 519 ASN B OD1 2740 N ND2 . ASN B 141 ? 0.4404 0.2912 0.5047 -0.0087 0.0961 0.0249 519 ASN B ND2 2741 N N . ALA B 142 ? 0.3834 0.5297 0.4433 -0.0369 -0.0182 -0.0396 520 ALA B N 2742 C CA . ALA B 142 ? 0.4040 0.5188 0.5175 -0.0410 -0.0058 -0.0428 520 ALA B CA 2743 C C . ALA B 142 ? 0.4331 0.4484 0.6047 -0.0573 -0.0065 0.0037 520 ALA B C 2744 O O . ALA B 142 ? 0.4450 0.3670 0.6076 -0.0898 0.0367 -0.0029 520 ALA B O 2745 C CB . ALA B 142 ? 0.3802 0.5304 0.5064 -0.1432 -0.0353 -0.0603 520 ALA B CB 2746 N N . ASN B 143 ? 0.4164 0.4792 0.6324 0.0174 0.0447 -0.0468 521 ASN B N 2747 C CA . ASN B 143 ? 0.5231 0.5078 0.6174 -0.0310 0.0547 0.0135 521 ASN B CA 2748 C C . ASN B 143 ? 0.4702 0.5184 0.5728 -0.0375 0.0175 0.0359 521 ASN B C 2749 O O . ASN B 143 ? 0.4696 0.4545 0.6716 -0.1088 -0.0183 -0.0380 521 ASN B O 2750 C CB . ASN B 143 ? 0.5438 0.5218 0.7053 -0.0827 0.0210 0.0804 521 ASN B CB 2751 C CG . ASN B 143 ? 0.5682 0.6183 0.7578 -0.1180 0.0091 -0.0127 521 ASN B CG 2752 O OD1 . ASN B 143 ? 0.8518 0.5531 0.6983 -0.0743 0.0964 0.0725 521 ASN B OD1 2753 N ND2 . ASN B 143 ? 0.5438 0.4723 0.7965 -0.2038 0.0763 0.2354 521 ASN B ND2 2754 N N . GLN B 144 ? 0.5397 0.4525 0.5889 -0.0112 0.0197 0.0392 522 GLN B N 2755 C CA . GLN B 144 ? 0.4844 0.4613 0.5474 0.0800 -0.0402 0.0059 522 GLN B CA 2756 C C . GLN B 144 ? 0.4851 0.4028 0.4989 0.0511 -0.0062 -0.0305 522 GLN B C 2757 O O . GLN B 144 ? 0.4302 0.3443 0.5953 0.0820 -0.0466 0.0053 522 GLN B O 2758 C CB . GLN B 144 ? 0.4496 0.3987 0.6413 -0.0395 -0.0553 -0.0151 522 GLN B CB 2759 C CG . GLN B 144 ? 0.5482 0.5628 0.8267 0.1287 -0.0700 0.0904 522 GLN B CG 2760 C CD . GLN B 144 ? 0.6873 0.6109 0.8093 0.1083 -0.0354 0.0644 522 GLN B CD 2761 O OE1 . GLN B 144 ? 0.7084 0.7139 0.8096 0.0452 0.0152 0.0326 522 GLN B OE1 2762 N NE2 . GLN B 144 ? 0.6252 0.6053 0.9377 0.1569 0.0365 0.1546 522 GLN B NE2 2763 N N . TYR B 145 ? 0.5793 0.3075 0.4725 0.0101 0.0002 0.0242 523 TYR B N 2764 C CA . TYR B 145 ? 0.5414 0.4050 0.5435 0.0200 0.0293 0.0837 523 TYR B CA 2765 C C . TYR B 145 ? 0.4423 0.4721 0.5242 -0.0046 0.0360 0.0677 523 TYR B C 2766 O O . TYR B 145 ? 0.5447 0.4651 0.6548 0.0449 0.1691 0.0359 523 TYR B O 2767 C CB . TYR B 145 ? 0.4510 0.5194 0.5885 -0.0510 0.1459 0.0623 523 TYR B CB 2768 C CG . TYR B 145 ? 0.6162 0.4947 0.6850 0.0078 0.1028 0.0837 523 TYR B CG 2769 C CD1 . TYR B 145 ? 0.5077 0.5788 0.3657 0.0011 0.0013 0.0837 523 TYR B CD1 2770 C CD2 . TYR B 145 ? 0.6361 0.6085 0.7578 -0.0462 0.0986 0.0672 523 TYR B CD2 2771 C CE1 . TYR B 145 ? 0.5740 0.5676 0.5267 0.0943 0.0692 -0.0500 523 TYR B CE1 2772 C CE2 . TYR B 145 ? 0.7163 0.6260 0.8995 -0.0099 0.1603 -0.0325 523 TYR B CE2 2773 C CZ . TYR B 145 ? 0.6524 0.6144 0.8579 -0.0432 0.0673 -0.0600 523 TYR B CZ 2774 O OH . TYR B 145 ? 0.7020 0.5476 0.9042 -0.0269 0.2370 0.0339 523 TYR B OH 2775 N N . SER B 146 ? 0.4163 0.4763 0.3855 0.0224 0.0437 0.0341 524 SER B N 2776 C CA . SER B 146 ? 0.4917 0.4213 0.5032 0.0145 0.0199 0.0424 524 SER B CA 2777 C C . SER B 146 ? 0.5542 0.5191 0.5479 0.0266 0.0614 0.0254 524 SER B C 2778 O O . SER B 146 ? 0.5771 0.3412 0.6681 -0.0820 0.0975 -0.0521 524 SER B O 2779 C CB . SER B 146 ? 0.4759 0.4943 0.5388 0.0119 0.0031 -0.0399 524 SER B CB 2780 O OG . SER B 146 ? 0.5222 0.4201 0.5982 -0.0103 0.0025 0.0422 524 SER B OG 2781 N N . PRO B 147 ? 0.6260 0.5445 0.6729 -0.0148 -0.0046 -0.0224 525 PRO B N 2782 C CA . PRO B 147 ? 0.7397 0.6627 0.6956 0.0622 -0.0090 -0.0429 525 PRO B CA 2783 C C . PRO B 147 ? 0.6312 0.7646 0.7100 0.0525 0.0041 -0.0741 525 PRO B C 2784 O O . PRO B 147 ? 0.7990 0.8737 0.7449 0.1454 0.0029 -0.5393 525 PRO B O 2785 C CB . PRO B 147 ? 0.7874 0.6586 0.7945 0.0316 0.0015 -0.0965 525 PRO B CB 2786 C CG . PRO B 147 ? 0.8139 0.6141 0.7824 0.0177 -0.0111 -0.0411 525 PRO B CG 2787 C CD . PRO B 147 ? 0.6347 0.5724 0.6753 0.0356 -0.0484 0.0229 525 PRO B CD 2788 N N . CYS B 148 ? 0.5869 0.3707 0.6250 0.0004 -0.0106 -0.0174 526 CYS B N 2789 C CA . CYS B 148 ? 0.5565 0.4395 0.5552 0.0525 0.0448 -0.0224 526 CYS B CA 2790 C C . CYS B 148 ? 0.5016 0.5132 0.4772 -0.0261 0.0535 0.0506 526 CYS B C 2791 O O . CYS B 148 ? 0.4953 0.4770 0.4989 0.0519 0.0659 0.0680 526 CYS B O 2792 C CB . CYS B 148 ? 0.5785 0.5128 0.6659 -0.0591 -0.0317 0.1159 526 CYS B CB 2793 S SG . CYS B 148 ? 0.7595 0.5383 0.5848 0.0497 -0.0115 -0.0621 526 CYS B SG 2794 N N . VAL B 149 ? 0.4594 0.5218 0.4753 -0.0128 0.1297 -0.0583 527 VAL B N 2795 C CA . VAL B 149 ? 0.5583 0.5578 0.5622 -0.0232 0.0716 -0.0103 527 VAL B CA 2796 C C . VAL B 149 ? 0.6417 0.5924 0.5854 0.0142 0.1205 0.0210 527 VAL B C 2797 O O . VAL B 149 ? 0.5889 0.5026 0.9010 0.0484 0.0779 0.0210 527 VAL B O 2798 C CB . VAL B 149 ? 0.5240 0.6923 0.5507 -0.0515 0.0763 -0.0117 527 VAL B CB 2799 C CG1 . VAL B 149 ? 0.5938 0.7238 0.5655 0.0082 -0.0055 -0.2407 527 VAL B CG1 2800 C CG2 . VAL B 149 ? 0.6456 0.4071 0.6413 -0.0139 0.0130 0.0715 527 VAL B CG2 2801 N N . SER B 150 ? 0.6462 0.5497 0.6867 0.0873 0.1196 0.0624 528 SER B N 2802 C CA . SER B 150 ? 0.6961 0.6316 0.6487 0.0370 0.0921 -0.0986 528 SER B CA 2803 C C . SER B 150 ? 0.6121 0.6428 0.6007 0.0176 0.1347 0.0257 528 SER B C 2804 O O . SER B 150 ? 0.7688 0.6004 0.6579 -0.0588 0.2602 0.0472 528 SER B O 2805 C CB . SER B 150 ? 0.8026 0.6961 0.7588 0.0889 0.2880 -0.0809 528 SER B CB 2806 O OG . SER B 150 ? 1.0290 0.6288 0.9910 0.1474 0.2021 -0.1252 528 SER B OG 2807 N N . ILE B 151 ? 0.5675 0.4509 0.5407 0.0101 0.0930 -0.0354 529 ILE B N 2808 C CA . ILE B 151 ? 0.6014 0.4837 0.4575 -0.0174 0.0853 -0.0496 529 ILE B CA 2809 C C . ILE B 151 ? 0.5814 0.4122 0.4600 -0.0105 0.0100 0.0445 529 ILE B C 2810 O O . ILE B 151 ? 0.6823 0.6964 0.3238 -0.0022 -0.0249 0.0313 529 ILE B O 2811 C CB . ILE B 151 ? 0.7022 0.4582 0.5587 0.0339 0.1603 -0.0135 529 ILE B CB 2812 C CG1 . ILE B 151 ? 0.7292 0.5332 0.5143 -0.0528 0.1562 -0.0784 529 ILE B CG1 2813 C CG2 . ILE B 151 ? 0.6593 0.5228 0.4933 0.0096 0.1739 -0.0404 529 ILE B CG2 2814 C CD1 . ILE B 151 ? 0.4989 0.6031 0.4528 -0.0183 0.0449 -0.2238 529 ILE B CD1 2815 N N . VAL B 152 ? 0.6367 0.4362 0.4567 0.0377 0.0957 0.0469 530 VAL B N 2816 C CA . VAL B 152 ? 0.5727 0.4699 0.4632 0.0172 0.0934 0.0865 530 VAL B CA 2817 C C . VAL B 152 ? 0.4960 0.4546 0.4662 -0.0040 0.0107 0.0563 530 VAL B C 2818 O O . VAL B 152 ? 0.4514 0.4368 0.4105 -0.0073 0.0709 0.1120 530 VAL B O 2819 C CB . VAL B 152 ? 0.5258 0.4288 0.4554 0.0189 0.0954 0.0648 530 VAL B CB 2820 C CG1 . VAL B 152 ? 0.4651 0.4024 0.3231 0.0089 0.0505 0.1266 530 VAL B CG1 2821 C CG2 . VAL B 152 ? 0.5238 0.4135 0.4366 0.0021 0.0273 0.0374 530 VAL B CG2 2822 N N . PRO B 153 ? 0.4765 0.4272 0.4249 0.0062 0.0128 0.0084 531 PRO B N 2823 C CA . PRO B 153 ? 0.4789 0.4318 0.4386 0.0151 0.0000 0.0251 531 PRO B CA 2824 C C . PRO B 153 ? 0.5133 0.5003 0.4743 -0.0323 0.0355 -0.0017 531 PRO B C 2825 O O . PRO B 153 ? 0.5414 0.4395 0.4491 0.0605 0.0082 0.0461 531 PRO B O 2826 C CB . PRO B 153 ? 0.4815 0.5019 0.4486 -0.0109 -0.0216 0.0231 531 PRO B CB 2827 C CG . PRO B 153 ? 0.4791 0.4524 0.4897 0.0264 0.0123 0.0002 531 PRO B CG 2828 C CD . PRO B 153 ? 0.5066 0.4269 0.3717 -0.0100 0.0183 0.0151 531 PRO B CD 2829 N N . SER B 154 ? 0.5785 0.4704 0.4096 -0.0056 0.0753 0.0621 532 SER B N 2830 C CA . SER B 154 ? 0.5133 0.4085 0.4482 -0.0039 0.0240 0.0723 532 SER B CA 2831 C C . SER B 154 ? 0.4998 0.3473 0.4493 0.0154 -0.0156 0.0537 532 SER B C 2832 O O . SER B 154 ? 0.5810 0.4108 0.4372 0.0108 0.0442 0.0264 532 SER B O 2833 C CB . SER B 154 ? 0.5944 0.4596 0.4215 -0.0962 0.0211 0.0472 532 SER B CB 2834 O OG . SER B 154 ? 0.7360 0.5756 0.6186 -0.2316 -0.0293 0.1875 532 SER B OG 2835 N N . THR B 155 ? 0.5079 0.3799 0.4257 0.0301 -0.0223 0.0946 533 THR B N 2836 C CA . THR B 155 ? 0.4616 0.4241 0.5080 0.0095 -0.0441 0.0166 533 THR B CA 2837 C C . THR B 155 ? 0.4723 0.4041 0.4552 0.0238 0.0088 0.0322 533 THR B C 2838 O O . THR B 155 ? 0.5281 0.5445 0.4319 0.0564 0.0168 0.0338 533 THR B O 2839 C CB . THR B 155 ? 0.4855 0.4803 0.5814 0.0672 -0.0951 0.0187 533 THR B CB 2840 O OG1 . THR B 155 ? 0.5341 0.4468 0.9345 -0.0075 -0.1277 0.0042 533 THR B OG1 2841 C CG2 . THR B 155 ? 0.4843 0.3576 0.5061 0.1252 -0.0617 0.0466 533 THR B CG2 2842 N N . VAL B 156 ? 0.4258 0.4150 0.3378 0.0413 -0.0466 0.0788 534 VAL B N 2843 C CA . VAL B 156 ? 0.4290 0.4290 0.3949 0.0198 -0.0103 0.0633 534 VAL B CA 2844 C C . VAL B 156 ? 0.4709 0.4768 0.3680 0.0376 -0.0315 0.0618 534 VAL B C 2845 O O . VAL B 156 ? 0.5062 0.4192 0.3568 0.0231 -0.0702 0.0799 534 VAL B O 2846 C CB . VAL B 156 ? 0.4034 0.4247 0.3508 0.0111 -0.0685 0.0704 534 VAL B CB 2847 C CG1 . VAL B 156 ? 0.3393 0.4644 0.3071 0.0542 -0.0857 0.0666 534 VAL B CG1 2848 C CG2 . VAL B 156 ? 0.3723 0.3560 0.3560 0.0306 0.0155 0.0856 534 VAL B CG2 2849 N N . TRP B 157 ? 0.4867 0.4548 0.4279 -0.0485 -0.0304 0.0255 535 TRP B N 2850 C CA . TRP B 157 ? 0.4765 0.5459 0.4587 -0.0188 -0.0450 0.0349 535 TRP B CA 2851 C C . TRP B 157 ? 0.4927 0.4361 0.4112 0.0041 -0.0474 0.0175 535 TRP B C 2852 O O . TRP B 157 ? 0.5677 0.3954 0.4907 0.0174 -0.0462 0.0636 535 TRP B O 2853 C CB . TRP B 157 ? 0.4713 0.5764 0.4637 -0.0426 -0.0443 0.0185 535 TRP B CB 2854 C CG . TRP B 157 ? 0.5629 0.5772 0.4846 0.0383 -0.0248 0.0346 535 TRP B CG 2855 C CD1 . TRP B 157 ? 0.5661 0.6005 0.4763 0.0116 0.0366 -0.0105 535 TRP B CD1 2856 C CD2 . TRP B 157 ? 0.5736 0.5668 0.4589 -0.0380 -0.0269 0.0038 535 TRP B CD2 2857 N NE1 . TRP B 157 ? 0.5617 0.6139 0.4095 -0.0041 0.0664 -0.0364 535 TRP B NE1 2858 C CE2 . TRP B 157 ? 0.5608 0.5140 0.4686 0.0348 0.0204 0.0381 535 TRP B CE2 2859 C CE3 . TRP B 157 ? 0.5309 0.6677 0.5148 -0.0179 0.0099 0.0975 535 TRP B CE3 2860 C CZ2 . TRP B 157 ? 0.3813 0.4464 0.4456 0.1301 0.0023 -0.0084 535 TRP B CZ2 2861 C CZ3 . TRP B 157 ? 0.5771 0.5574 0.6718 0.0668 -0.0828 0.0770 535 TRP B CZ3 2862 C CH2 . TRP B 157 ? 0.5585 0.4937 0.5500 0.0168 -0.0740 0.0760 535 TRP B CH2 2863 N N . GLU B 158 ? 0.4192 0.4451 0.3755 -0.0099 -0.0768 0.0379 536 GLU B N 2864 C CA . GLU B 158 ? 0.4313 0.5093 0.4163 0.0000 -0.0380 0.0459 536 GLU B CA 2865 C C . GLU B 158 ? 0.5080 0.4835 0.4315 0.0418 -0.0478 0.0375 536 GLU B C 2866 O O . GLU B 158 ? 0.4574 0.4238 0.3331 -0.0086 -0.1249 0.1549 536 GLU B O 2867 C CB . GLU B 158 ? 0.5352 0.5489 0.4206 -0.0026 -0.0509 -0.0115 536 GLU B CB 2868 C CG . GLU B 158 ? 0.5416 0.7289 0.5685 -0.0812 -0.0776 0.0333 536 GLU B CG 2869 C CD . GLU B 158 ? 0.6440 0.8734 0.6717 -0.1497 -0.0987 -0.0381 536 GLU B CD 2870 O OE1 . GLU B 158 ? 0.6547 0.9495 0.6306 -0.1322 -0.1671 -0.0829 536 GLU B OE1 2871 O OE2 . GLU B 158 ? 0.6594 1.0222 0.7685 -0.1981 -0.0979 0.0058 536 GLU B OE2 2872 N N . ASP B 159 ? 0.4414 0.5367 0.4764 -0.0040 -0.0163 0.0381 537 ASP B N 2873 C CA . ASP B 159 ? 0.6090 0.5313 0.4889 -0.0097 -0.0057 0.0318 537 ASP B CA 2874 C C . ASP B 159 ? 0.5111 0.5372 0.5673 -0.0338 -0.0698 0.0289 537 ASP B C 2875 O O . ASP B 159 ? 0.5539 0.6147 0.5783 -0.0417 -0.1009 0.0072 537 ASP B O 2876 C CB . ASP B 159 ? 0.5616 0.6556 0.5268 0.0344 -0.0136 0.0600 537 ASP B CB 2877 C CG . ASP B 159 ? 0.6738 0.8064 0.5899 -0.0818 -0.0866 0.1372 537 ASP B CG 2878 O OD1 . ASP B 159 ? 0.6522 0.5872 0.4913 -0.0474 -0.0651 0.1510 537 ASP B OD1 2879 O OD2 . ASP B 159 ? 0.7949 0.8861 0.6500 -0.1508 0.0438 0.0892 537 ASP B OD2 2880 N N . GLY B 160 ? 0.5921 0.5245 0.4967 -0.0273 -0.0922 0.0511 538 GLY B N 2881 C CA . GLY B 160 ? 0.5309 0.5386 0.4717 0.0382 -0.0687 0.0029 538 GLY B CA 2882 C C . GLY B 160 ? 0.5665 0.5379 0.4930 -0.0649 -0.0176 0.0112 538 GLY B C 2883 O O . GLY B 160 ? 0.6149 0.4715 0.5827 -0.1225 -0.0296 0.1136 538 GLY B O 2884 N N . ASP B 161 ? 0.5103 0.5945 0.4514 -0.0691 -0.0777 0.0834 539 ASP B N 2885 C CA . ASP B 161 ? 0.4793 0.4955 0.5278 -0.0213 -0.0756 0.0433 539 ASP B CA 2886 C C . ASP B 161 ? 0.5718 0.4084 0.4956 -0.0267 -0.0643 0.0436 539 ASP B C 2887 O O . ASP B 161 ? 0.5425 0.4149 0.4374 0.0032 -0.0155 0.1004 539 ASP B O 2888 C CB . ASP B 161 ? 0.5543 0.4886 0.5198 -0.0185 -0.0726 0.0974 539 ASP B CB 2889 C CG . ASP B 161 ? 0.6515 0.5761 0.5358 0.0228 -0.0970 0.1082 539 ASP B CG 2890 O OD1 . ASP B 161 ? 0.6243 0.6637 0.5582 0.0512 -0.1045 0.2263 539 ASP B OD1 2891 O OD2 . ASP B 161 ? 0.6150 0.5713 0.5580 0.0536 -0.1328 0.1560 539 ASP B OD2 2892 N N . TYR B 162 ? 0.6080 0.5644 0.4924 -0.0701 -0.0924 -0.0275 540 TYR B N 2893 C CA . TYR B 162 ? 0.6492 0.6228 0.5443 -0.0005 -0.0379 -0.0040 540 TYR B CA 2894 C C . TYR B 162 ? 0.5728 0.6233 0.5103 0.0705 -0.0901 -0.0556 540 TYR B C 2895 O O . TYR B 162 ? 0.7961 0.5942 0.6066 0.1003 -0.0447 0.0453 540 TYR B O 2896 C CB . TYR B 162 ? 0.8206 0.6429 0.6373 -0.0152 -0.0867 -0.1066 540 TYR B CB 2897 C CG . TYR B 162 ? 0.9763 0.7172 0.8094 -0.2045 -0.1167 0.0326 540 TYR B CG 2898 C CD1 . TYR B 162 ? 1.0948 0.7398 0.7861 -0.3072 -0.1202 -0.2349 540 TYR B CD1 2899 C CD2 . TYR B 162 ? 1.0069 0.9693 0.9741 -0.1020 0.0959 0.0410 540 TYR B CD2 2900 C CE1 . TYR B 162 ? 1.3374 0.9245 0.8904 -0.2325 -0.2417 -0.0565 540 TYR B CE1 2901 C CE2 . TYR B 162 ? 1.1495 0.9698 1.1741 -0.1397 -0.0466 0.0780 540 TYR B CE2 2902 C CZ . TYR B 162 ? 1.2881 1.1534 1.1391 -0.0813 -0.0643 0.0278 540 TYR B CZ 2903 O OH . TYR B 162 ? 1.3833 1.1955 1.6584 -0.1053 -0.2906 0.0995 540 TYR B OH 2904 N N . TYR B 163 ? 0.5691 0.4698 0.4438 0.0641 -0.0703 -0.0314 541 TYR B N 2905 C CA . TYR B 163 ? 0.6164 0.5192 0.4270 -0.0154 -0.0393 0.0371 541 TYR B CA 2906 C C . TYR B 163 ? 0.7485 0.5517 0.6010 0.0129 -0.0244 -0.0377 541 TYR B C 2907 O O . TYR B 163 ? 1.0617 0.5510 0.5230 -0.1131 -0.1000 -0.1154 541 TYR B O 2908 C CB . TYR B 163 ? 0.6187 0.4862 0.3975 0.0614 -0.0829 0.0266 541 TYR B CB 2909 C CG . TYR B 163 ? 0.6932 0.4762 0.4371 0.0459 -0.0374 -0.0076 541 TYR B CG 2910 C CD1 . TYR B 163 ? 0.6322 0.5212 0.3482 0.0400 -0.0140 -0.0068 541 TYR B CD1 2911 C CD2 . TYR B 163 ? 0.5988 0.4590 0.4184 0.0326 -0.0050 0.0933 541 TYR B CD2 2912 C CE1 . TYR B 163 ? 0.6281 0.3948 0.4246 -0.0184 -0.0218 -0.0206 541 TYR B CE1 2913 C CE2 . TYR B 163 ? 0.5249 0.4395 0.4316 -0.0090 -0.1100 -0.0142 541 TYR B CE2 2914 C CZ . TYR B 163 ? 0.5705 0.4473 0.4193 0.0143 -0.0266 0.0089 541 TYR B CZ 2915 O OH . TYR B 163 ? 0.5395 0.3889 0.3613 -0.0363 -0.0919 -0.0070 541 TYR B OH 2916 N N . ARG B 164 ? 0.8104 0.6782 0.6039 -0.0061 0.0126 -0.0133 542 ARG B N 2917 C CA . ARG B 164 ? 0.7571 0.6679 0.6234 0.0144 -0.0166 0.0044 542 ARG B CA 2918 C C . ARG B 164 ? 0.8187 0.6248 0.5867 0.1331 -0.0047 -0.0050 542 ARG B C 2919 O O . ARG B 164 ? 0.9621 0.8054 0.5344 0.2645 -0.0366 0.0556 542 ARG B O 2920 C CB . ARG B 164 ? 0.9358 0.5205 0.6759 0.0635 -0.0160 -0.0704 542 ARG B CB 2921 C CG . ARG B 164 ? 1.1461 0.8514 0.7704 -0.0216 -0.1408 0.0306 542 ARG B CG 2922 C CD . ARG B 164 ? 1.1624 0.9931 1.1555 -0.1967 -0.1548 -0.0598 542 ARG B CD 2923 N NE . ARG B 164 ? 1.2746 1.3147 1.2741 0.0007 -0.1928 -0.0166 542 ARG B NE 2924 C CZ . ARG B 164 ? 1.3226 1.2362 1.2432 0.0980 -0.1941 -0.0213 542 ARG B CZ 2925 N NH1 . ARG B 164 ? 1.5169 1.1020 1.5261 -0.0496 -0.0586 -0.0451 542 ARG B NH1 2926 N NH2 . ARG B 164 ? 1.1091 1.0510 1.3432 0.1984 -0.2222 -0.0503 542 ARG B NH2 2927 N N . LYS B 165 ? 0.8099 0.6926 0.6282 0.1498 -0.0764 -0.0975 543 LYS B N 2928 C CA . LYS B 165 ? 0.8542 0.7560 0.6979 0.0310 -0.0042 -0.0562 543 LYS B CA 2929 C C . LYS B 165 ? 1.0267 0.8428 0.7865 0.1839 0.0551 0.0193 543 LYS B C 2930 O O . LYS B 165 ? 1.1699 0.5895 0.5703 0.1746 0.0074 -0.2409 543 LYS B O 2931 C CB . LYS B 165 ? 0.8860 0.5617 0.7629 0.0248 0.0877 -0.0999 543 LYS B CB 2932 C CG . LYS B 165 ? 0.8305 0.8985 0.8919 0.0601 0.0637 -0.0210 543 LYS B CG 2933 C CD . LYS B 165 ? 1.0169 0.9727 1.1542 -0.0132 -0.0141 -0.1754 543 LYS B CD 2934 C CE . LYS B 165 ? 0.9693 1.3875 1.1365 0.2263 -0.1957 -0.0575 543 LYS B CE 2935 N NZ . LYS B 165 ? 1.0307 1.3991 1.0599 0.2089 -0.1897 -0.0670 543 LYS B NZ 2936 N N . GLN B 166 ? 1.1805 0.9594 0.7578 0.1305 -0.0495 -0.0987 544 GLN B N 2937 C CA . GLN B 166 ? 1.1406 0.9502 0.9621 0.0922 0.0469 -0.1653 544 GLN B CA 2938 C C . GLN B 166 ? 1.1177 0.9903 0.9459 0.1772 0.0778 -0.1439 544 GLN B C 2939 O O . GLN B 166 ? 1.1527 1.0987 0.9105 0.1589 0.2002 -0.2202 544 GLN B O 2940 C CB . GLN B 166 ? 1.3316 1.0863 0.9776 0.0983 0.0257 -0.1992 544 GLN B CB 2941 C CG . GLN B 166 ? 1.4025 1.1027 1.0411 0.0296 -0.0159 -0.2184 544 GLN B CG 2942 C CD . GLN B 166 ? 1.1920 1.2809 1.0484 0.0387 -0.1017 -0.2982 544 GLN B CD 2943 O OE1 . GLN B 166 ? 1.3703 1.3997 0.4674 0.0722 0.1203 -0.2945 544 GLN B OE1 2944 N NE2 . GLN B 166 ? 1.1745 1.4271 1.1608 0.0382 -0.0053 -0.2352 544 GLN B NE2 2945 N N . LEU B 167 ? 1.2612 1.0864 1.1290 0.2543 -0.0040 -0.0689 545 LEU B N 2946 C CA . LEU B 167 ? 1.3415 1.4333 1.2261 0.1166 -0.0856 -0.0444 545 LEU B CA 2947 C C . LEU B 167 ? 1.4069 1.4542 1.4027 0.0608 0.0817 -0.0145 545 LEU B C 2948 O O . LEU B 167 ? 1.6272 1.4609 1.4669 -0.0695 -0.0184 0.0455 545 LEU B O 2949 C CB . LEU B 167 ? 1.6327 1.2610 1.2637 0.1342 0.1453 -0.0521 545 LEU B CB 2950 C CG . LEU B 167 ? 1.3432 1.3199 1.2876 0.0912 0.1429 -0.0878 545 LEU B CG 2951 C CD1 . LEU B 167 ? 1.0750 1.0820 1.2945 0.0825 0.0052 -0.1018 545 LEU B CD1 2952 C CD2 . LEU B 167 ? 1.2348 0.9818 1.0154 0.2998 0.3200 -0.2123 545 LEU B CD2 2953 N N . SER B 168 ? 1.4299 1.5472 1.6753 0.0231 0.0742 0.1197 546 SER B N 2954 C CA . SER B 168 ? 1.4265 1.4023 1.7322 0.0783 -0.0474 0.0133 546 SER B CA 2955 C C . SER B 168 ? 1.5232 1.5479 1.6458 0.2545 0.0289 0.0523 546 SER B C 2956 O O . SER B 168 ? 1.3452 1.7101 1.6493 0.4209 0.0233 0.1789 546 SER B O 2957 C CB . SER B 168 ? 1.4333 1.0550 1.5357 0.1708 -0.1124 0.0607 546 SER B CB 2958 O OG . SER B 168 ? 1.3602 0.6629 1.7338 -0.0596 -0.2103 -0.0503 546 SER B OG 2959 N N . PRO B 169 ? 1.8041 1.6065 1.5553 0.2608 -0.0522 -0.0053 547 PRO B N 2960 C CA . PRO B 169 ? 1.6231 1.5277 1.5541 0.3939 0.0073 -0.1523 547 PRO B CA 2961 C C . PRO B 169 ? 1.6444 1.3911 1.6212 0.3496 -0.0188 -0.1313 547 PRO B C 2962 O O . PRO B 169 ? 1.7798 1.0867 1.7941 0.6687 0.0239 -0.2161 547 PRO B O 2963 C CB . PRO B 169 ? 1.4922 1.4291 1.5572 0.4032 -0.1212 -0.1796 547 PRO B CB 2964 C CG . PRO B 169 ? 1.3267 1.4021 1.4443 0.5257 -0.0205 -0.3294 547 PRO B CG 2965 C CD . PRO B 169 ? 1.7782 1.3925 1.5615 0.2938 -0.0173 -0.1820 547 PRO B CD 2966 N N . LEU B 170 ? 1.5888 1.5370 1.7140 0.2475 0.1000 -0.2638 548 LEU B N 2967 C CA . LEU B 170 ? 1.5364 1.6565 1.8459 0.0499 0.1146 -0.0728 548 LEU B CA 2968 C C . LEU B 170 ? 1.7771 1.7900 1.6795 0.0950 0.0289 0.0891 548 LEU B C 2969 O O . LEU B 170 ? 1.5130 1.7060 1.9662 0.5678 0.0283 0.2436 548 LEU B O 2970 C CB . LEU B 170 ? 1.5254 1.5191 1.8148 0.0523 0.2017 -0.2446 548 LEU B CB 2971 C CG . LEU B 170 ? 1.5665 1.4650 1.7271 -0.1149 0.1959 -0.1428 548 LEU B CG 2972 C CD1 . LEU B 170 ? 1.5464 1.3472 1.5343 0.0402 0.3065 -0.4010 548 LEU B CD1 2973 C CD2 . LEU B 170 ? 1.5320 1.5208 1.7019 0.0414 0.0364 -0.1164 548 LEU B CD2 2974 N N . GLU B 171 ? 1.8085 1.6503 1.7504 0.0241 0.2777 -0.0285 549 GLU B N 2975 C CA . GLU B 171 ? 1.8858 1.7027 1.7830 -0.0369 0.3349 -0.0975 549 GLU B CA 2976 C C . GLU B 171 ? 1.9050 1.7301 1.6084 -0.0508 0.3270 -0.1113 549 GLU B C 2977 O O . GLU B 171 ? 2.1805 1.9080 1.6008 -0.0050 0.3864 -0.0803 549 GLU B O 2978 C CB . GLU B 171 ? 1.8348 1.6001 1.6493 -0.0939 0.5020 -0.0987 549 GLU B CB 2979 C CG . GLU B 171 ? 1.9514 1.6432 1.7255 -0.1036 0.2588 -0.1075 549 GLU B CG 2980 C CD . GLU B 171 ? 1.9315 1.5391 1.4889 0.0546 0.0538 -0.1061 549 GLU B CD 2981 O OE1 . GLU B 171 ? 2.0795 1.5707 1.0850 0.0035 -0.3165 -0.1628 549 GLU B OE1 2982 O OE2 . GLU B 171 ? 2.0188 1.6571 1.0119 0.0008 -0.0694 0.0710 549 GLU B OE2 2983 N N . GLY B 172 ? 1.6828 1.7314 1.5011 -0.0641 0.3385 -0.0403 550 GLY B N 2984 C CA . GLY B 172 ? 1.5114 1.5741 1.3295 -0.0217 0.0523 -0.3114 550 GLY B CA 2985 C C . GLY B 172 ? 1.4977 1.4225 1.4233 0.1967 -0.0741 -0.1755 550 GLY B C 2986 O O . GLY B 172 ? 1.6341 1.0341 1.4519 0.3923 0.0377 -0.1945 550 GLY B O 2987 N N . GLY B 173 ? 1.3619 1.4852 1.4722 0.2567 -0.0356 -0.1004 551 GLY B N 2988 C CA . GLY B 173 ? 1.3592 1.5002 1.3941 0.3461 -0.0723 -0.0509 551 GLY B CA 2989 C C . GLY B 173 ? 1.2178 1.3577 1.3614 0.2189 -0.1063 -0.0371 551 GLY B C 2990 O O . GLY B 173 ? 1.0845 1.2232 1.4108 0.4213 -0.1946 -0.0538 551 GLY B O 2991 N N . GLY B 174 ? 1.1680 0.9756 1.1787 0.1583 0.0316 -0.1195 552 GLY B N 2992 C CA . GLY B 174 ? 1.2586 1.1671 1.1384 0.1143 0.2002 -0.0413 552 GLY B CA 2993 C C . GLY B 174 ? 1.2377 1.1356 1.2258 0.0928 0.1514 -0.0755 552 GLY B C 2994 O O . GLY B 174 ? 1.2138 0.9275 1.1719 0.3437 0.2857 -0.1377 552 GLY B O 2995 N N . TRP B 175 ? 1.1572 0.8909 1.0781 0.0111 0.0347 -0.0894 553 TRP B N 2996 C CA . TRP B 175 ? 1.1456 0.9427 0.9055 0.0872 -0.0719 -0.0897 553 TRP B CA 2997 C C . TRP B 175 ? 1.1994 0.7473 0.9007 0.1110 -0.0088 -0.0086 553 TRP B C 2998 O O . TRP B 175 ? 1.3314 0.7909 0.5137 0.1151 -0.1300 -0.2709 553 TRP B O 2999 C CB . TRP B 175 ? 1.1508 0.8221 1.0613 0.1594 -0.0956 0.0154 553 TRP B CB 3000 C CG . TRP B 175 ? 1.6070 1.1862 1.1296 0.0145 -0.0871 -0.0741 553 TRP B CG 3001 C CD1 . TRP B 175 ? 1.5304 1.2290 1.1827 -0.1038 -0.0970 -0.1176 553 TRP B CD1 3002 C CD2 . TRP B 175 ? 1.7057 1.2567 1.1465 0.0029 -0.0406 -0.0091 553 TRP B CD2 3003 N NE1 . TRP B 175 ? 1.4204 1.1248 1.1621 -0.1951 -0.0243 -0.2462 553 TRP B NE1 3004 C CE2 . TRP B 175 ? 1.7006 1.2845 1.2092 -0.0388 -0.0867 -0.0117 553 TRP B CE2 3005 C CE3 . TRP B 175 ? 1.7183 1.2529 1.1223 -0.0624 0.0094 -0.0564 553 TRP B CE3 3006 C CZ2 . TRP B 175 ? 1.8372 1.4049 1.2377 -0.1176 -0.0680 0.0275 553 TRP B CZ2 3007 C CZ3 . TRP B 175 ? 1.8029 1.2018 1.1547 -0.0723 0.1357 -0.0349 553 TRP B CZ3 3008 C CH2 . TRP B 175 ? 1.8999 1.4050 1.0888 -0.2147 -0.0276 0.0204 553 TRP B CH2 3009 N N . LEU B 176 ? 1.0757 0.7990 0.6964 0.0283 -0.0579 0.0145 554 LEU B N 3010 C CA . LEU B 176 ? 0.8030 0.6933 0.6090 0.0389 -0.0351 0.0934 554 LEU B CA 3011 C C . LEU B 176 ? 0.8198 0.6103 0.6166 0.0554 0.0522 0.0180 554 LEU B C 3012 O O . LEU B 176 ? 1.1369 0.5929 0.5215 0.1685 -0.1039 -0.1375 554 LEU B O 3013 C CB . LEU B 176 ? 0.7899 0.6752 0.6131 0.0691 -0.0831 0.0311 554 LEU B CB 3014 C CG . LEU B 176 ? 0.7648 0.6208 0.6453 0.0069 -0.0491 0.0419 554 LEU B CG 3015 C CD1 . LEU B 176 ? 0.8358 0.5862 0.5832 0.1351 -0.1133 -0.0524 554 LEU B CD1 3016 C CD2 . LEU B 176 ? 0.7996 0.5705 0.7650 0.0134 0.0657 0.1248 554 LEU B CD2 3017 N N . VAL B 177 ? 0.6847 0.3955 0.5312 0.0375 -0.0500 -0.0182 555 VAL B N 3018 C CA . VAL B 177 ? 0.6107 0.5261 0.5643 0.0050 -0.0064 -0.0907 555 VAL B CA 3019 C C . VAL B 177 ? 0.6168 0.4770 0.5218 0.0192 -0.0229 -0.0087 555 VAL B C 3020 O O . VAL B 177 ? 0.6367 0.4793 0.5192 0.0487 -0.1024 -0.1313 555 VAL B O 3021 C CB . VAL B 177 ? 0.6451 0.5818 0.6586 0.0034 -0.0023 -0.1871 555 VAL B CB 3022 C CG1 . VAL B 177 ? 0.6370 0.6370 0.7165 0.0068 -0.0184 -0.2913 555 VAL B CG1 3023 C CG2 . VAL B 177 ? 0.8093 0.5843 0.6445 0.0177 0.0120 -0.1708 555 VAL B CG2 3024 N N . ALA B 178 ? 0.5121 0.4973 0.4614 0.0162 -0.0964 -0.0215 556 ALA B N 3025 C CA . ALA B 178 ? 0.5187 0.4872 0.5132 0.0080 -0.0583 -0.0247 556 ALA B CA 3026 C C . ALA B 178 ? 0.5341 0.4947 0.4809 0.0416 -0.0352 -0.0596 556 ALA B C 3027 O O . ALA B 178 ? 0.6265 0.3220 0.4424 0.0123 -0.0223 0.0407 556 ALA B O 3028 C CB . ALA B 178 ? 0.5136 0.4583 0.4489 -0.0098 -0.0561 0.0326 556 ALA B CB 3029 N N . SER B 179 ? 0.4984 0.4192 0.4338 0.0253 -0.0023 0.0182 557 SER B N 3030 C CA . SER B 179 ? 0.4500 0.4768 0.3628 -0.0031 -0.0110 0.0046 557 SER B CA 3031 C C . SER B 179 ? 0.4892 0.4390 0.3969 0.0084 -0.0333 0.0280 557 SER B C 3032 O O . SER B 179 ? 0.4788 0.4250 0.3928 -0.0564 -0.0372 -0.0166 557 SER B O 3033 C CB . SER B 179 ? 0.4296 0.4916 0.5134 -0.0067 -0.0486 0.0329 557 SER B CB 3034 O OG . SER B 179 ? 0.4218 0.4345 0.5422 -0.0021 -0.0179 0.0400 557 SER B OG 3035 N N . GLY B 180 ? 0.5214 0.4556 0.3136 -0.0012 -0.0705 0.0104 558 GLY B N 3036 C CA . GLY B 180 ? 0.4255 0.4078 0.3709 0.0477 0.0025 0.0611 558 GLY B CA 3037 C C . GLY B 180 ? 0.3855 0.4199 0.3662 -0.0022 -0.0193 0.0470 558 GLY B C 3038 O O . GLY B 180 ? 0.4060 0.4387 0.3968 -0.0481 -0.0635 0.0841 558 GLY B O 3039 N N . SER B 181 ? 0.3649 0.3525 0.3640 -0.0612 0.0146 0.0563 559 SER B N 3040 C CA . SER B 181 ? 0.4284 0.3896 0.3967 0.0092 0.0381 0.0803 559 SER B CA 3041 C C . SER B 181 ? 0.3813 0.4100 0.3992 -0.0422 0.0172 0.1048 559 SER B C 3042 O O . SER B 181 ? 0.3951 0.4455 0.3469 -0.0593 -0.0753 0.1452 559 SER B O 3043 C CB . SER B 181 ? 0.4462 0.3992 0.3739 -0.0391 -0.0320 0.0844 559 SER B CB 3044 O OG . SER B 181 ? 0.3799 0.4311 0.4284 -0.0364 -0.0594 0.0635 559 SER B OG 3045 N N . THR B 182 ? 0.4103 0.4127 0.4008 -0.0017 -0.0839 0.1052 560 THR B N 3046 C CA . THR B 182 ? 0.4905 0.4304 0.3852 -0.0185 0.0129 0.0468 560 THR B CA 3047 C C . THR B 182 ? 0.3765 0.4725 0.4495 -0.0150 0.0026 0.0541 560 THR B C 3048 O O . THR B 182 ? 0.4033 0.4903 0.4220 -0.0127 -0.0233 0.1916 560 THR B O 3049 C CB . THR B 182 ? 0.4012 0.5633 0.3640 -0.0177 -0.0366 0.0213 560 THR B CB 3050 O OG1 . THR B 182 ? 0.3256 0.6579 0.4271 0.0311 0.0075 0.0650 560 THR B OG1 3051 C CG2 . THR B 182 ? 0.4010 0.4314 0.4099 0.0190 -0.0188 0.0638 560 THR B CG2 3052 N N . VAL B 183 ? 0.5012 0.4253 0.3722 0.0400 -0.0050 0.0579 561 VAL B N 3053 C CA . VAL B 183 ? 0.4902 0.4581 0.3824 0.0216 0.0290 0.0543 561 VAL B CA 3054 C C . VAL B 183 ? 0.4378 0.4697 0.4142 0.0611 -0.0429 0.0669 561 VAL B C 3055 O O . VAL B 183 ? 0.4148 0.3470 0.4138 0.0801 -0.0718 0.0936 561 VAL B O 3056 C CB . VAL B 183 ? 0.5564 0.4534 0.4235 0.0908 -0.0394 0.0439 561 VAL B CB 3057 C CG1 . VAL B 183 ? 0.4798 0.5045 0.3319 0.1147 -0.0291 0.0953 561 VAL B CG1 3058 C CG2 . VAL B 183 ? 0.5702 0.4949 0.5135 -0.0567 0.0194 0.1472 561 VAL B CG2 3059 N N . ALA B 184 ? 0.3887 0.5330 0.3857 0.0527 -0.0766 0.0251 562 ALA B N 3060 C CA . ALA B 184 ? 0.4531 0.5302 0.5765 0.0853 -0.0858 0.0476 562 ALA B CA 3061 C C . ALA B 184 ? 0.4238 0.5183 0.4698 0.0565 -0.0298 0.0858 562 ALA B C 3062 O O . ALA B 184 ? 0.4733 0.5624 0.5029 0.2301 -0.0663 0.1798 562 ALA B O 3063 C CB . ALA B 184 ? 0.4739 0.5238 0.5230 0.1571 0.0260 0.0554 562 ALA B CB 3064 N N . MET B 185 ? 0.5239 0.4931 0.4662 0.0396 -0.0412 0.1060 563 MET B N 3065 C CA . MET B 185 ? 0.4257 0.5175 0.4816 0.0705 -0.0752 0.0720 563 MET B CA 3066 C C . MET B 185 ? 0.5289 0.5256 0.5010 0.0053 -0.0455 0.0266 563 MET B C 3067 O O . MET B 185 ? 0.5282 0.5091 0.5829 0.0548 -0.0214 0.0916 563 MET B O 3068 C CB . MET B 185 ? 0.4617 0.5238 0.5188 0.0220 -0.0790 0.0566 563 MET B CB 3069 C CG . MET B 185 ? 0.6111 0.5437 0.5019 0.0076 -0.1361 0.0247 563 MET B CG 3070 S SD . MET B 185 ? 0.5921 0.4728 0.4149 0.1082 -0.0312 0.0480 563 MET B SD 3071 C CE . MET B 185 ? 0.5225 0.5618 0.3105 0.0501 -0.0165 -0.0195 563 MET B CE 3072 N N . THR B 186 ? 0.5851 0.5078 0.4644 0.0387 -0.0744 0.0677 564 THR B N 3073 C CA . THR B 186 ? 0.5716 0.5274 0.4722 0.0493 -0.0528 0.0261 564 THR B CA 3074 C C . THR B 186 ? 0.5380 0.5442 0.4698 0.0902 -0.0492 0.0614 564 THR B C 3075 O O . THR B 186 ? 0.5193 0.4535 0.4134 0.0858 -0.0971 0.0008 564 THR B O 3076 C CB . THR B 186 ? 0.4834 0.5076 0.4688 0.0667 -0.0064 0.0588 564 THR B CB 3077 O OG1 . THR B 186 ? 0.4725 0.4419 0.3940 0.0483 -0.0764 0.0621 564 THR B OG1 3078 C CG2 . THR B 186 ? 0.3792 0.4331 0.4724 0.1172 0.0223 -0.0203 564 THR B CG2 3079 N N . GLU B 187 ? 0.6074 0.5355 0.4773 0.1039 -0.0768 -0.0052 565 GLU B N 3080 C CA . GLU B 187 ? 0.6509 0.5629 0.5726 0.0024 -0.0427 0.0172 565 GLU B CA 3081 C C . GLU B 187 ? 0.6266 0.6165 0.5487 0.0582 -0.0136 0.0196 565 GLU B C 3082 O O . GLU B 187 ? 0.6763 0.3436 0.5753 0.1317 -0.0615 0.0474 565 GLU B O 3083 C CB . GLU B 187 ? 0.7964 0.7534 0.5872 0.0831 -0.1005 -0.1473 565 GLU B CB 3084 C CG . GLU B 187 ? 1.1260 0.8328 1.0530 0.0214 0.0556 0.0617 565 GLU B CG 3085 C CD . GLU B 187 ? 1.3474 1.0396 1.1475 -0.0413 0.0325 -0.0826 565 GLU B CD 3086 O OE1 . GLU B 187 ? 1.4383 1.1420 1.1768 0.1100 0.2075 -0.1842 565 GLU B OE1 3087 O OE2 . GLU B 187 ? 1.5397 1.2366 1.2489 0.0708 0.2364 0.0440 565 GLU B OE2 3088 N N . GLN B 188 ? 0.6068 0.5892 0.5882 0.1746 -0.0333 0.0122 566 GLN B N 3089 C CA . GLN B 188 ? 0.6478 0.5081 0.5714 0.0726 -0.0924 -0.0224 566 GLN B CA 3090 C C . GLN B 188 ? 0.5302 0.5256 0.4311 0.0481 -0.0282 0.0114 566 GLN B C 3091 O O . GLN B 188 ? 0.6414 0.4259 0.5090 0.0934 -0.1228 0.0028 566 GLN B O 3092 C CB . GLN B 188 ? 0.7189 0.5536 0.4926 0.1414 -0.0370 0.0079 566 GLN B CB 3093 C CG . GLN B 188 ? 0.7888 0.5390 0.6736 0.0365 -0.0784 -0.0963 566 GLN B CG 3094 C CD . GLN B 188 ? 0.7669 0.5819 0.7482 0.0607 0.0471 -0.0991 566 GLN B CD 3095 O OE1 . GLN B 188 ? 0.8295 0.9247 0.7991 0.0108 0.1301 -0.0464 566 GLN B OE1 3096 N NE2 . GLN B 188 ? 0.8258 0.4593 0.8588 0.0343 -0.0033 -0.0250 566 GLN B NE2 3097 N N . LEU B 189 ? 0.5208 0.4750 0.4182 0.0256 -0.0630 0.1362 567 LEU B N 3098 C CA . LEU B 189 ? 0.5050 0.4849 0.4010 0.0305 -0.0361 0.0012 567 LEU B CA 3099 C C . LEU B 189 ? 0.5992 0.4547 0.4651 0.0374 -0.0788 0.0542 567 LEU B C 3100 O O . LEU B 189 ? 0.6894 0.4261 0.3532 0.1337 -0.0486 0.0606 567 LEU B O 3101 C CB . LEU B 189 ? 0.5275 0.4867 0.4478 0.0744 -0.0159 0.0766 567 LEU B CB 3102 C CG . LEU B 189 ? 0.4714 0.3668 0.4294 0.0024 -0.0569 0.0730 567 LEU B CG 3103 C CD1 . LEU B 189 ? 0.4760 0.3968 0.2765 0.0117 -0.0874 0.0878 567 LEU B CD1 3104 C CD2 . LEU B 189 ? 0.4934 0.4348 0.4436 -0.0245 -0.0603 0.0787 567 LEU B CD2 3105 N N . GLN B 190 ? 0.5808 0.4245 0.4637 0.0566 -0.0465 -0.0079 568 GLN B N 3106 C CA . GLN B 190 ? 0.4814 0.4732 0.4005 0.0283 0.0410 0.0143 568 GLN B CA 3107 C C . GLN B 190 ? 0.4837 0.4099 0.3963 0.0180 -0.0295 -0.0093 568 GLN B C 3108 O O . GLN B 190 ? 0.4140 0.3290 0.4057 0.0758 -0.0134 0.0048 568 GLN B O 3109 C CB . GLN B 190 ? 0.4731 0.4304 0.3616 0.0073 0.0261 -0.0205 568 GLN B CB 3110 C CG . GLN B 190 ? 0.4446 0.4296 0.4485 0.0901 -0.0701 0.0419 568 GLN B CG 3111 C CD . GLN B 190 ? 0.4720 0.4491 0.4306 0.0581 0.0282 0.0020 568 GLN B CD 3112 O OE1 . GLN B 190 ? 0.6003 0.4621 0.4820 0.0342 -0.0620 -0.0032 568 GLN B OE1 3113 N NE2 . GLN B 190 ? 0.5884 0.4622 0.6931 0.1091 0.0810 -0.0586 568 GLN B NE2 3114 N N . MET B 191 ? 0.4792 0.3984 0.3695 0.0234 -0.0038 0.0331 569 MET B N 3115 C CA . MET B 191 ? 0.4577 0.3888 0.3658 0.0089 0.0218 0.0498 569 MET B CA 3116 C C . MET B 191 ? 0.4734 0.4277 0.4103 0.0602 0.0054 0.0586 569 MET B C 3117 O O . MET B 191 ? 0.4768 0.3801 0.3644 0.0604 -0.0012 0.1307 569 MET B O 3118 C CB . MET B 191 ? 0.5427 0.3557 0.3991 -0.0108 -0.0006 0.0411 569 MET B CB 3119 C CG . MET B 191 ? 0.5991 0.4977 0.3600 -0.0099 -0.0718 0.0405 569 MET B CG 3120 S SD . MET B 191 ? 0.5419 0.4603 0.4644 0.0726 -0.0383 0.0653 569 MET B SD 3121 C CE . MET B 191 ? 0.5190 0.4227 0.4093 0.0691 -0.0646 0.0619 569 MET B CE 3122 N N . GLY B 192 ? 0.5136 0.3463 0.4416 0.0422 0.0345 0.0579 570 GLY B N 3123 C CA . GLY B 192 ? 0.3666 0.3887 0.4293 0.1136 0.0286 -0.0053 570 GLY B CA 3124 C C . GLY B 192 ? 0.4180 0.2694 0.3901 0.0421 0.0252 -0.0319 570 GLY B C 3125 O O . GLY B 192 ? 0.5117 0.3101 0.3929 0.0507 0.0276 0.0691 570 GLY B O 3126 N N . PHE B 193 ? 0.4387 0.2705 0.3946 0.0443 0.0015 0.0668 571 PHE B N 3127 C CA . PHE B 193 ? 0.4429 0.4062 0.4472 0.0622 -0.0301 0.0500 571 PHE B CA 3128 C C . PHE B 193 ? 0.4350 0.3885 0.4719 0.0742 0.0493 0.0681 571 PHE B C 3129 O O . PHE B 193 ? 0.4946 0.4217 0.4490 0.1279 -0.0130 0.1943 571 PHE B O 3130 C CB . PHE B 193 ? 0.6194 0.4490 0.4617 0.0247 0.0456 0.0026 571 PHE B CB 3131 C CG . PHE B 193 ? 0.6321 0.4766 0.5809 0.0679 0.0754 0.0417 571 PHE B CG 3132 C CD1 . PHE B 193 ? 0.7807 0.5473 0.4901 0.0924 -0.0190 -0.0048 571 PHE B CD1 3133 C CD2 . PHE B 193 ? 0.6628 0.6300 0.6368 0.1408 0.1584 0.1373 571 PHE B CD2 3134 C CE1 . PHE B 193 ? 0.7412 0.5347 0.4302 0.1404 -0.1054 -0.1307 571 PHE B CE1 3135 C CE2 . PHE B 193 ? 0.7994 0.6101 0.7186 0.0899 0.1058 0.1775 571 PHE B CE2 3136 C CZ . PHE B 193 ? 0.6062 0.4875 0.5467 0.1263 -0.0216 0.0245 571 PHE B CZ 3137 N N . GLY B 194 ? 0.4219 0.3025 0.3888 0.0343 -0.0072 0.0007 572 GLY B N 3138 C CA . GLY B 194 ? 0.3834 0.3017 0.3555 0.0076 0.0073 0.0138 572 GLY B CA 3139 C C . GLY B 194 ? 0.3893 0.3502 0.3527 0.0311 -0.0223 -0.0173 572 GLY B C 3140 O O . GLY B 194 ? 0.3963 0.4926 0.3905 -0.0157 -0.0481 0.0631 572 GLY B O 3141 N N . ILE B 195 ? 0.3934 0.2795 0.3734 0.0379 -0.0551 0.0052 573 ILE B N 3142 C CA . ILE B 195 ? 0.3565 0.3025 0.3248 -0.0107 -0.0108 0.0181 573 ILE B CA 3143 C C . ILE B 195 ? 0.3139 0.3023 0.3205 0.0088 -0.0016 -0.0125 573 ILE B C 3144 O O . ILE B 195 ? 0.3633 0.3211 0.3255 -0.0108 -0.0321 0.0309 573 ILE B O 3145 C CB . ILE B 195 ? 0.4114 0.3173 0.4031 -0.0079 -0.0257 -0.0142 573 ILE B CB 3146 C CG1 . ILE B 195 ? 0.4686 0.3658 0.3347 0.0619 -0.0523 -0.0305 573 ILE B CG1 3147 C CG2 . ILE B 195 ? 0.4008 0.3429 0.3638 -0.0296 -0.0049 0.0425 573 ILE B CG2 3148 C CD1 . ILE B 195 ? 0.4526 0.2980 0.3782 0.0379 0.0127 -0.0083 573 ILE B CD1 3149 N N . THR B 196 ? 0.2957 0.3011 0.3659 -0.0100 0.0097 0.0201 574 THR B N 3150 C CA . THR B 196 ? 0.2884 0.2747 0.3272 -0.0161 -0.0019 0.0145 574 THR B CA 3151 C C . THR B 196 ? 0.3076 0.2790 0.2999 -0.0076 0.0002 0.0086 574 THR B C 3152 O O . THR B 196 ? 0.3363 0.3563 0.3739 -0.0670 0.0011 0.0440 574 THR B O 3153 C CB . THR B 196 ? 0.3389 0.2830 0.3003 0.0171 -0.0048 0.0206 574 THR B CB 3154 O OG1 . THR B 196 ? 0.4074 0.3640 0.3950 -0.0315 -0.0117 0.0054 574 THR B OG1 3155 C CG2 . THR B 196 ? 0.3830 0.2624 0.3411 0.0141 -0.0257 -0.0036 574 THR B CG2 3156 N N . VAL B 197 ? 0.3148 0.2256 0.2785 0.0018 0.0307 0.0054 575 VAL B N 3157 C CA . VAL B 197 ? 0.3172 0.3077 0.3122 -0.0163 0.0283 0.0273 575 VAL B CA 3158 C C . VAL B 197 ? 0.3471 0.3277 0.3848 0.0005 0.0097 -0.0030 575 VAL B C 3159 O O . VAL B 197 ? 0.3198 0.3796 0.4101 -0.0318 0.0334 0.0103 575 VAL B O 3160 C CB . VAL B 197 ? 0.3649 0.2945 0.3311 -0.0056 -0.0114 0.0136 575 VAL B CB 3161 C CG1 . VAL B 197 ? 0.3614 0.3336 0.2797 -0.0102 -0.0822 0.0588 575 VAL B CG1 3162 C CG2 . VAL B 197 ? 0.4171 0.2949 0.3443 -0.0452 -0.0492 0.0580 575 VAL B CG2 3163 N N . GLN B 198 ? 0.3541 0.3083 0.3556 -0.0294 0.1012 -0.0274 576 GLN B N 3164 C CA . GLN B 198 ? 0.4049 0.4138 0.3926 0.0038 0.0148 -0.0048 576 GLN B CA 3165 C C . GLN B 198 ? 0.3348 0.3819 0.3829 0.0125 0.0228 0.0266 576 GLN B C 3166 O O . GLN B 198 ? 0.3905 0.3744 0.3692 -0.0309 0.0020 -0.0386 576 GLN B O 3167 C CB . GLN B 198 ? 0.4463 0.5121 0.4757 -0.0663 0.1678 0.0092 576 GLN B CB 3168 C CG . GLN B 198 ? 0.6778 0.6095 0.5938 0.0237 0.1423 0.0157 576 GLN B CG 3169 C CD . GLN B 198 ? 0.9350 0.7986 0.7522 0.1664 0.0439 -0.1510 576 GLN B CD 3170 O OE1 . GLN B 198 ? 0.9672 0.8291 1.0260 0.2296 0.0024 -0.2101 576 GLN B OE1 3171 N NE2 . GLN B 198 ? 0.9676 0.9627 0.6984 0.0133 0.0239 0.0068 576 GLN B NE2 3172 N N . TYR B 199 ? 0.2847 0.4812 0.2826 -0.0132 0.1169 0.0111 577 TYR B N 3173 C CA . TYR B 199 ? 0.4040 0.4735 0.3691 -0.0312 0.0499 -0.0247 577 TYR B CA 3174 C C . TYR B 199 ? 0.4652 0.4744 0.4585 0.0434 0.0910 0.0739 577 TYR B C 3175 O O . TYR B 199 ? 0.3684 0.4725 0.5604 -0.0813 0.0137 -0.2148 577 TYR B O 3176 C CB . TYR B 199 ? 0.4019 0.3588 0.3526 0.0184 0.0255 0.0039 577 TYR B CB 3177 C CG . TYR B 199 ? 0.3642 0.3962 0.2925 -0.0162 0.0345 0.0078 577 TYR B CG 3178 C CD1 . TYR B 199 ? 0.3706 0.3781 0.3037 -0.0235 -0.0091 0.0316 577 TYR B CD1 3179 C CD2 . TYR B 199 ? 0.3663 0.3698 0.3242 -0.0271 -0.0203 0.0254 577 TYR B CD2 3180 C CE1 . TYR B 199 ? 0.3694 0.3393 0.3084 -0.0071 -0.0570 0.0298 577 TYR B CE1 3181 C CE2 . TYR B 199 ? 0.3469 0.3524 0.3176 -0.0435 -0.0039 0.0362 577 TYR B CE2 3182 C CZ . TYR B 199 ? 0.3351 0.3196 0.3715 0.0288 -0.0054 0.0521 577 TYR B CZ 3183 O OH . TYR B 199 ? 0.3339 0.3097 0.3698 0.0052 0.0343 0.0605 577 TYR B OH 3184 N N . GLY B 200 ? 0.6033 0.5923 0.5929 -0.0872 0.0661 0.0728 578 GLY B N 3185 C CA . GLY B 200 ? 0.5978 0.7486 0.8709 -0.0029 0.0119 0.0933 578 GLY B CA 3186 C C . GLY B 200 ? 0.8403 0.6433 0.8782 0.0426 -0.0225 0.2325 578 GLY B C 3187 O O . GLY B 200 ? 0.7831 0.7278 0.9420 0.0760 0.0338 0.1605 578 GLY B O 3188 N N . THR B 201 ? 0.9545 1.0663 1.3030 0.1390 0.0233 -0.0619 579 THR B N 3189 C CA . THR B 201 ? 1.0600 1.3131 1.2654 0.0086 -0.0999 -0.1072 579 THR B CA 3190 C C . THR B 201 ? 1.0323 1.3007 1.0227 -0.1043 -0.1204 0.0740 579 THR B C 3191 O O . THR B 201 ? 1.0801 1.1908 1.0271 -0.2347 -0.2653 0.1552 579 THR B O 3192 C CB . THR B 201 ? 1.2156 1.3637 1.5122 0.0251 0.0443 -0.1537 579 THR B CB 3193 O OG1 . THR B 201 ? 1.3527 1.6810 1.3140 -0.1425 0.1451 -0.6178 579 THR B OG1 3194 C CG2 . THR B 201 ? 1.1142 1.4793 1.5730 -0.1112 0.2614 -0.1301 579 THR B CG2 3195 N N . ASP B 202 ? 0.9105 1.1133 1.2810 0.0504 -0.2481 0.1608 580 ASP B N 3196 C CA . ASP B 202 ? 1.1630 1.1462 1.2146 -0.0549 -0.0580 0.0785 580 ASP B CA 3197 C C . ASP B 202 ? 1.0630 0.9734 1.2112 -0.1047 -0.0552 -0.0823 580 ASP B C 3198 O O . ASP B 202 ? 1.3629 1.0752 1.0381 -0.0795 -0.0695 -0.4562 580 ASP B O 3199 C CB . ASP B 202 ? 1.1562 1.2199 1.3593 -0.1143 0.1232 0.1426 580 ASP B CB 3200 C CG . ASP B 202 ? 1.2975 1.1442 1.3427 -0.1419 0.1833 0.2785 580 ASP B CG 3201 O OD1 . ASP B 202 ? 0.9206 1.2187 1.4764 -0.5792 0.3495 0.2343 580 ASP B OD1 3202 O OD2 . ASP B 202 ? 1.2510 1.2257 1.4551 -0.0567 0.5447 0.2275 580 ASP B OD2 3203 N N . THR B 203 ? 1.0433 1.2705 1.0028 0.0220 -0.0121 0.1522 581 THR B N 3204 C CA . THR B 203 ? 0.8846 1.1479 0.9092 0.1832 -0.0636 0.0279 581 THR B CA 3205 C C . THR B 203 ? 0.8245 0.9596 0.7632 0.1146 0.0410 -0.0565 581 THR B C 3206 O O . THR B 203 ? 0.4852 0.8419 0.7988 -0.0170 -0.0018 -0.2590 581 THR B O 3207 C CB . THR B 203 ? 0.9415 0.9608 0.9450 0.0407 -0.0149 0.0493 581 THR B CB 3208 O OG1 . THR B 203 ? 1.0630 1.4866 0.7156 -0.0591 -0.0060 0.0815 581 THR B OG1 3209 C CG2 . THR B 203 ? 0.5256 0.8979 0.7784 0.1470 0.0790 0.1116 581 THR B CG2 3210 N N . ASN B 204 ? 0.5966 0.6400 0.6124 0.0139 0.0592 0.1538 582 ASN B N 3211 C CA . ASN B 204 ? 0.6642 0.5270 0.5387 0.0079 0.0554 -0.0321 582 ASN B CA 3212 C C . ASN B 204 ? 0.5872 0.5838 0.6211 -0.1749 0.0749 -0.0051 582 ASN B C 3213 O O . ASN B 204 ? 0.7572 0.4521 0.6757 -0.0853 0.0958 -0.0002 582 ASN B O 3214 C CB . ASN B 204 ? 0.6911 0.5460 0.5225 0.0180 0.0068 0.1109 582 ASN B CB 3215 C CG . ASN B 204 ? 0.6229 0.5961 0.5763 -0.0915 -0.0182 -0.0005 582 ASN B CG 3216 O OD1 . ASN B 204 ? 0.6143 0.5702 0.6661 -0.0331 0.0208 0.0818 582 ASN B OD1 3217 N ND2 . ASN B 204 ? 0.5070 0.7474 0.3262 -0.0135 0.0099 0.0845 582 ASN B ND2 3218 N N . SER B 205 ? 0.5052 0.6129 0.6630 -0.0873 -0.0209 0.0900 583 SER B N 3219 C CA . SER B 205 ? 0.6303 0.6138 0.7039 -0.0519 0.0317 0.0925 583 SER B CA 3220 C C . SER B 205 ? 0.5872 0.5274 0.5817 -0.1148 0.0464 0.0857 583 SER B C 3221 O O . SER B 205 ? 0.6160 0.5581 0.6968 -0.2331 0.0022 0.1312 583 SER B O 3222 C CB . SER B 205 ? 0.7267 0.6906 0.7161 -0.1734 0.0960 0.0328 583 SER B CB 3223 O OG . SER B 205 ? 1.0598 0.8649 0.9654 -0.1122 0.0539 -0.1786 583 SER B OG 3224 N N . VAL B 206 ? 0.4808 0.4413 0.4452 -0.0035 0.0618 0.0295 584 VAL B N 3225 C CA . VAL B 206 ? 0.4664 0.4926 0.4051 -0.0229 0.0299 0.0462 584 VAL B CA 3226 C C . VAL B 206 ? 0.4783 0.4836 0.4376 -0.0299 0.0365 0.0191 584 VAL B C 3227 O O . VAL B 206 ? 0.5018 0.4439 0.4864 -0.0168 0.0500 0.0434 584 VAL B O 3228 C CB . VAL B 206 ? 0.4944 0.4016 0.4264 0.0131 0.0317 0.0332 584 VAL B CB 3229 C CG1 . VAL B 206 ? 0.3953 0.4063 0.3090 -0.0878 0.0749 0.0986 584 VAL B CG1 3230 C CG2 . VAL B 206 ? 0.4665 0.4309 0.4710 -0.0024 0.1037 0.0803 584 VAL B CG2 3231 N N . CYS B 207 ? 0.5082 0.4619 0.4596 -0.1050 -0.0049 0.0620 585 CYS B N 3232 C CA . CYS B 207 ? 0.5044 0.4659 0.5033 -0.0986 0.0013 0.0175 585 CYS B CA 3233 C C . CYS B 207 ? 0.6002 0.4492 0.5420 -0.0761 -0.0044 0.0060 585 CYS B C 3234 O O . CYS B 207 ? 0.6012 0.3904 0.5239 -0.1446 -0.0115 -0.0430 585 CYS B O 3235 C CB . CYS B 207 ? 0.6370 0.4808 0.4162 -0.2209 -0.0140 0.0622 585 CYS B CB 3236 S SG . CYS B 207 ? 0.6659 0.5163 0.7128 -0.1782 0.0147 0.0642 585 CYS B SG 3237 N N . PRO B 208 ? 0.5914 0.4033 0.5166 -0.1039 -0.0312 -0.0290 586 PRO B N 3238 C CA . PRO B 208 ? 0.5248 0.5485 0.5749 -0.0536 -0.0372 0.0029 586 PRO B CA 3239 C C . PRO B 208 ? 0.6464 0.5595 0.6865 -0.0739 -0.0994 -0.0456 586 PRO B C 3240 O O . PRO B 208 ? 0.6105 0.4587 0.5834 -0.0989 -0.0506 -0.0240 586 PRO B O 3241 C CB . PRO B 208 ? 0.5528 0.4571 0.5300 -0.1453 -0.0602 -0.0357 586 PRO B CB 3242 C CG . PRO B 208 ? 0.5281 0.4616 0.6640 -0.0538 -0.0111 -0.0354 586 PRO B CG 3243 C CD . PRO B 208 ? 0.5027 0.4015 0.5609 -0.1290 -0.0001 0.0082 586 PRO B CD 3244 N N . LYS B 209 ? 0.8075 0.6857 0.6199 0.0139 -0.1322 -0.0242 587 LYS B N 3245 C CA . LYS B 209 ? 0.8577 0.7444 0.8163 -0.1023 0.0428 0.0603 587 LYS B CA 3246 C C . LYS B 209 ? 0.9418 0.6565 0.8577 -0.0084 -0.0122 0.0112 587 LYS B C 3247 O O . LYS B 209 ? 0.8739 0.5592 1.0378 -0.0747 0.0044 -0.2324 587 LYS B O 3248 C CB . LYS B 209 ? 0.8886 0.9469 0.9282 -0.0394 -0.0709 0.0617 587 LYS B CB 3249 C CG . LYS B 209 ? 0.8879 1.0578 0.8951 -0.2047 -0.1268 -0.0254 587 LYS B CG 3250 C CD . LYS B 209 ? 0.9715 1.0986 1.1700 -0.0833 -0.0530 0.0868 587 LYS B CD 3251 C CE . LYS B 209 ? 1.1454 1.0125 1.4429 -0.1066 0.0060 0.0484 587 LYS B CE 3252 N NZ . LYS B 209 ? 1.0902 0.7046 1.5919 -0.2110 0.0025 0.0811 587 LYS B NZ 3253 N N . LEU B 210 ? 1.0134 0.7350 0.9920 -0.1046 -0.0671 0.1041 588 LEU B N 3254 C CA . LEU B 210 ? 0.9720 0.9600 0.9409 -0.1777 -0.0062 0.1365 588 LEU B CA 3255 C C . LEU B 210 ? 0.8423 0.9590 0.7113 -0.3663 0.2047 0.3490 588 LEU B C 3256 O O . LEU B 210 ? 0.8877 0.8809 0.7463 -0.2638 0.2963 0.2920 588 LEU B O 3257 C CB . LEU B 210 ? 1.0090 1.0055 0.9007 -0.1633 -0.1116 0.0042 588 LEU B CB 3258 C CG . LEU B 210 ? 0.9650 0.9912 0.8502 0.0232 -0.0627 -0.1408 588 LEU B CG 3259 C CD1 . LEU B 210 ? 0.9452 0.8071 0.8791 0.2608 0.0429 -0.1961 588 LEU B CD1 3260 C CD2 . LEU B 210 ? 1.0346 0.7743 0.7378 0.0353 -0.0181 -0.1587 588 LEU B CD2 3261 C C1 . EDO C . ? 0.7793 0.8909 0.8884 0.0824 -0.0188 0.0278 1000 EDO A C1 3262 O O1 . EDO C . ? 0.8513 0.9145 0.8759 0.0278 0.1380 0.2180 1000 EDO A O1 3263 C C2 . EDO C . ? 0.8288 0.9829 0.8837 -0.0984 0.0207 -0.0457 1000 EDO A C2 3264 O O2 . EDO C . ? 0.9700 0.6088 0.7925 -0.2598 0.0549 -0.1052 1000 EDO A O2 3265 C C1 . NAG D . ? 0.6290 0.7095 0.7854 -0.0392 -0.0194 -0.0421 1001 NAG A C1 3266 C C2 . NAG D . ? 0.9038 0.7027 1.0964 -0.0193 0.0151 -0.0501 1001 NAG A C2 3267 C C3 . NAG D . ? 0.8573 0.8722 1.1648 0.0166 -0.0709 0.0365 1001 NAG A C3 3268 C C4 . NAG D . ? 0.9527 0.7666 1.1905 -0.0490 0.0775 0.0233 1001 NAG A C4 3269 C C5 . NAG D . ? 0.7527 0.7701 0.8878 -0.0329 -0.0174 -0.0234 1001 NAG A C5 3270 C C6 . NAG D . ? 0.6925 0.7217 0.7882 -0.0765 0.0278 0.0504 1001 NAG A C6 3271 C C7 . NAG D . ? 0.9763 0.9078 1.0785 0.0616 -0.0015 0.0142 1001 NAG A C7 3272 C C8 . NAG D . ? 1.0004 0.9030 1.1646 -0.0717 0.0579 -0.0893 1001 NAG A C8 3273 N N2 . NAG D . ? 0.8956 0.9822 1.1945 0.0842 0.0123 -0.0839 1001 NAG A N2 3274 O O3 . NAG D . ? 0.9143 0.7917 1.2236 -0.0697 -0.0197 -0.1178 1001 NAG A O3 3275 O O4 . NAG D . ? 1.0652 0.8611 1.2445 -0.0121 -0.0412 0.0294 1001 NAG A O4 3276 O O5 . NAG D . ? 0.6645 0.4527 0.7787 -0.0289 0.0399 0.1478 1001 NAG A O5 3277 O O6 . NAG D . ? 0.6619 0.7349 0.7750 -0.0927 -0.0224 0.0104 1001 NAG A O6 3278 O O7 . NAG D . ? 1.3056 1.0562 1.0539 -0.0204 -0.0838 -0.0702 1001 NAG A O7 3279 C C1 . NAG E . ? 1.1249 1.1997 1.4907 0.0276 0.0225 0.0350 1002 NAG A C1 3280 C C2 . NAG E . ? 1.3435 1.3073 1.6159 -0.0377 -0.1643 0.0116 1002 NAG A C2 3281 C C3 . NAG E . ? 1.5100 1.3461 1.6453 -0.0320 -0.1747 0.2159 1002 NAG A C3 3282 C C4 . NAG E . ? 1.5890 1.4680 1.6777 0.0867 -0.2005 0.2513 1002 NAG A C4 3283 C C5 . NAG E . ? 1.4108 1.3676 1.7792 -0.0380 -0.1647 0.2497 1002 NAG A C5 3284 C C6 . NAG E . ? 1.4282 1.3214 1.6875 -0.0112 -0.2898 0.3107 1002 NAG A C6 3285 C C7 . NAG E . ? 1.3820 1.4246 1.5830 0.2273 -0.2837 0.0244 1002 NAG A C7 3286 C C8 . NAG E . ? 1.1826 1.7195 1.4816 0.1252 -0.2216 -0.1215 1002 NAG A C8 3287 N N2 . NAG E . ? 1.3338 1.3315 1.5889 0.0074 -0.3481 -0.0913 1002 NAG A N2 3288 O O3 . NAG E . ? 1.6275 0.8811 1.5528 -0.1220 -0.2374 0.3527 1002 NAG A O3 3289 O O4 . NAG E . ? 1.7302 1.3216 1.7991 0.1838 -0.1085 0.3285 1002 NAG A O4 3290 O O5 . NAG E . ? 1.4673 1.3421 1.6416 -0.0127 -0.1862 0.1573 1002 NAG A O5 3291 O O6 . NAG E . ? 1.5593 1.2726 1.4265 0.1394 -0.4441 0.4264 1002 NAG A O6 3292 O O7 . NAG E . ? 1.6340 1.5096 1.9164 0.1978 -0.3595 0.2581 1002 NAG A O7 3293 C C1 . NAG F . ? 1.3601 1.1421 1.1041 -0.0197 -0.0033 0.0205 1003 NAG A C1 3294 C C2 . NAG F . ? 1.5063 1.1940 1.2049 -0.1120 0.0121 0.0084 1003 NAG A C2 3295 C C3 . NAG F . ? 1.3681 1.2610 1.1550 -0.1321 0.1173 0.0114 1003 NAG A C3 3296 C C4 . NAG F . ? 1.4436 1.2496 1.2123 -0.0918 -0.0811 0.0045 1003 NAG A C4 3297 C C5 . NAG F . ? 1.5784 1.1128 1.2531 -0.0371 -0.1140 -0.0542 1003 NAG A C5 3298 C C6 . NAG F . ? 1.4746 0.5081 1.5082 -0.4826 -0.2346 -0.2282 1003 NAG A C6 3299 C C7 . NAG F . ? 1.6016 1.1671 1.3110 -0.0018 -0.0187 0.1661 1003 NAG A C7 3300 C C8 . NAG F . ? 1.5777 1.0764 1.3427 0.0483 0.0325 0.1344 1003 NAG A C8 3301 N N2 . NAG F . ? 1.6597 1.1549 1.3088 -0.0176 0.0428 0.0220 1003 NAG A N2 3302 O O3 . NAG F . ? 1.4790 1.3084 0.9522 -0.2155 0.0525 0.0602 1003 NAG A O3 3303 O O4 . NAG F . ? 1.5753 1.3330 1.3135 -0.1260 -0.0718 -0.1152 1003 NAG A O4 3304 O O5 . NAG F . ? 1.5707 0.9489 1.2389 0.0267 -0.0080 0.0411 1003 NAG A O5 3305 O O6 . NAG F . ? 1.5131 1.1162 1.6908 -0.2367 -0.2175 -0.1442 1003 NAG A O6 3306 O O7 . NAG F . ? 1.6541 1.0921 1.4331 -0.1042 0.1014 0.1019 1003 NAG A O7 3307 C C1 . NAG G . ? 1.4569 1.5535 1.4924 -0.0747 -0.0420 -0.0257 1004 NAG A C1 3308 C C2 . NAG G . ? 1.5258 1.7909 1.4923 -0.0174 -0.0273 0.1078 1004 NAG A C2 3309 C C3 . NAG G . ? 1.4617 1.7861 1.4767 0.0507 0.0059 0.1876 1004 NAG A C3 3310 C C4 . NAG G . ? 1.4421 1.7068 1.5070 0.1010 -0.0819 0.3014 1004 NAG A C4 3311 C C5 . NAG G . ? 1.4589 1.4981 1.5931 -0.0442 0.0735 0.2364 1004 NAG A C5 3312 C C6 . NAG G . ? 1.1569 1.6559 1.4794 0.0507 0.3466 0.2269 1004 NAG A C6 3313 C C7 . NAG G . ? 1.5814 1.3243 1.3742 -0.2397 0.2003 0.3604 1004 NAG A C7 3314 C C8 . NAG G . ? 1.2739 1.2710 1.2359 -0.1444 0.1149 0.4110 1004 NAG A C8 3315 N N2 . NAG G . ? 1.6488 1.7362 1.6361 -0.0144 0.1076 0.1204 1004 NAG A N2 3316 O O3 . NAG G . ? 0.9566 1.5406 1.3524 0.2318 -0.1031 0.5263 1004 NAG A O3 3317 O O4 . NAG G . ? 1.2275 1.6362 1.9514 0.2548 -0.1336 0.4664 1004 NAG A O4 3318 O O5 . NAG G . ? 1.5300 1.5709 1.5395 -0.1155 0.0270 -0.0213 1004 NAG A O5 3319 O O6 . NAG G . ? 1.4528 1.4730 1.5583 0.0125 0.3105 0.2456 1004 NAG A O6 3320 O O7 . NAG G . ? 1.6325 1.5931 1.2163 0.1587 0.4687 0.4156 1004 NAG A O7 3321 C C1 . EDO H . ? 0.6359 0.6792 0.6825 0.0414 -0.0185 0.2471 1000 EDO B C1 3322 O O1 . EDO H . ? 0.8045 0.7546 0.8088 -0.0252 -0.1378 0.1334 1000 EDO B O1 3323 C C2 . EDO H . ? 0.7438 0.6458 0.6191 0.0410 0.0210 0.1701 1000 EDO B C2 3324 O O2 . EDO H . ? 0.8332 0.6762 0.5835 -0.1248 -0.0122 0.1094 1000 EDO B O2 3325 C C1 . NAG I . ? 0.9809 0.9152 1.0150 0.0818 -0.0237 -0.1168 1001 NAG B C1 3326 C C2 . NAG I . ? 1.0756 0.9771 1.1118 0.0249 -0.1068 -0.1323 1001 NAG B C2 3327 C C3 . NAG I . ? 1.1334 1.1872 1.2367 -0.0245 -0.0512 -0.0957 1001 NAG B C3 3328 C C4 . NAG I . ? 1.2570 1.1861 1.2768 0.0411 -0.0945 -0.0759 1001 NAG B C4 3329 C C5 . NAG I . ? 1.1783 1.1135 1.1777 0.0865 -0.0296 -0.0416 1001 NAG B C5 3330 C C6 . NAG I . ? 1.3450 0.9004 1.0041 -0.0630 -0.1121 -0.0324 1001 NAG B C6 3331 C C7 . NAG I . ? 1.0725 0.9313 0.9257 -0.1347 -0.0375 -0.0081 1001 NAG B C7 3332 C C8 . NAG I . ? 1.0891 0.7888 1.0997 0.1280 -0.0205 -0.0130 1001 NAG B C8 3333 N N2 . NAG I . ? 0.9848 0.8883 1.0719 -0.1355 -0.0466 -0.1214 1001 NAG B N2 3334 O O3 . NAG I . ? 1.4048 1.3724 1.1852 -0.0330 -0.3235 -0.0624 1001 NAG B O3 3335 O O4 . NAG I . ? 1.4803 1.2778 1.4715 0.1538 0.1502 0.1214 1001 NAG B O4 3336 O O5 . NAG I . ? 1.0667 0.8485 1.1244 -0.0168 -0.1412 -0.1798 1001 NAG B O5 3337 O O6 . NAG I . ? 1.3743 1.1144 1.1673 -0.0504 -0.1574 0.1926 1001 NAG B O6 3338 O O7 . NAG I . ? 1.3940 0.6709 0.9105 -0.0044 -0.2071 0.1266 1001 NAG B O7 3339 C C1 . NAG J . ? 1.5734 1.4626 1.6937 0.2688 0.2285 -0.0400 1002 NAG B C1 3340 C C2 . NAG J . ? 1.6063 1.5945 1.8003 0.0477 0.2321 0.0247 1002 NAG B C2 3341 C C3 . NAG J . ? 1.6466 1.3930 1.7787 -0.0444 0.2248 0.1019 1002 NAG B C3 3342 C C4 . NAG J . ? 1.6379 1.5270 1.6921 0.1212 0.2453 -0.0008 1002 NAG B C4 3343 C C5 . NAG J . ? 1.6124 1.6627 1.7217 0.0868 0.3291 0.0449 1002 NAG B C5 3344 C C6 . NAG J . ? 1.5502 1.5681 1.3817 0.1425 0.3827 -0.0360 1002 NAG B C6 3345 C C7 . NAG J . ? 1.5328 1.8733 1.6741 -0.1645 -0.0497 0.0188 1002 NAG B C7 3346 C C8 . NAG J . ? 1.5599 1.6819 1.7222 -0.1490 -0.0797 -0.0183 1002 NAG B C8 3347 N N2 . NAG J . ? 1.4643 1.7945 1.8884 -0.1600 0.0980 -0.0712 1002 NAG B N2 3348 O O3 . NAG J . ? 1.8415 1.2398 1.7586 0.1366 0.0958 0.0641 1002 NAG B O3 3349 O O4 . NAG J . ? 1.4517 1.4162 1.4723 -0.0277 0.1933 0.0946 1002 NAG B O4 3350 O O5 . NAG J . ? 1.6768 1.4981 1.7709 0.0844 0.3454 0.1610 1002 NAG B O5 3351 O O6 . NAG J . ? 1.5275 1.0693 1.1533 0.0712 0.2757 0.0585 1002 NAG B O6 3352 O O7 . NAG J . ? 1.4921 1.7951 1.6233 -0.3526 -0.1003 0.1351 1002 NAG B O7 3353 C C1 . NAG K . ? 1.4680 1.3002 1.3157 0.0664 0.0560 0.1510 1003 NAG B C1 3354 C C2 . NAG K . ? 1.4649 1.3860 1.6016 -0.0116 0.0045 0.1527 1003 NAG B C2 3355 C C3 . NAG K . ? 1.6377 1.5483 1.7086 0.0958 -0.1576 0.2229 1003 NAG B C3 3356 C C4 . NAG K . ? 1.5865 1.6482 1.7146 -0.0894 -0.1108 0.2980 1003 NAG B C4 3357 C C5 . NAG K . ? 1.5170 1.5508 1.5923 -0.0033 -0.0467 0.3249 1003 NAG B C5 3358 C C6 . NAG K . ? 1.5181 1.5624 1.4063 -0.1298 0.0110 0.3045 1003 NAG B C6 3359 C C7 . NAG K . ? 1.4218 1.5617 1.6741 0.0300 -0.1530 0.2179 1003 NAG B C7 3360 C C8 . NAG K . ? 1.4219 1.3077 1.5280 0.1054 -0.0080 0.1889 1003 NAG B C8 3361 N N2 . NAG K . ? 1.4544 1.5112 1.6751 0.0156 -0.2094 0.2225 1003 NAG B N2 3362 O O3 . NAG K . ? 1.5861 1.6089 1.8532 0.0634 -0.3995 0.0316 1003 NAG B O3 3363 O O4 . NAG K . ? 2.0217 1.6335 1.7353 -0.0422 -0.2506 0.3139 1003 NAG B O4 3364 O O5 . NAG K . ? 1.4723 1.3886 1.5081 -0.1468 -0.0759 0.2861 1003 NAG B O5 3365 O O6 . NAG K . ? 1.5058 1.5586 1.6535 -0.1010 0.1067 0.3145 1003 NAG B O6 3366 O O7 . NAG K . ? 1.4541 1.5780 1.8446 0.1787 -0.0137 0.1195 1003 NAG B O7 3367 C C1 . NAG L . ? 1.7399 1.5962 1.6018 -0.0525 -0.1295 0.1661 1004 NAG B C1 3368 C C2 . NAG L . ? 1.5337 1.4701 1.5985 -0.0927 -0.1052 0.0981 1004 NAG B C2 3369 C C3 . NAG L . ? 1.5180 1.4304 1.5230 0.0791 -0.1290 0.0833 1004 NAG B C3 3370 C C4 . NAG L . ? 1.5225 1.3700 1.5012 0.0439 -0.1092 0.1151 1004 NAG B C4 3371 C C5 . NAG L . ? 1.4312 1.3374 1.5328 0.0201 -0.1182 -0.0208 1004 NAG B C5 3372 C C6 . NAG L . ? 1.3033 1.2697 1.8260 -0.0575 -0.2179 0.0842 1004 NAG B C6 3373 C C7 . NAG L . ? 1.3599 1.3373 1.4428 0.0329 0.0974 -0.0303 1004 NAG B C7 3374 C C8 . NAG L . ? 1.3840 1.1817 1.5047 -0.0434 0.1362 -0.0906 1004 NAG B C8 3375 N N2 . NAG L . ? 1.5604 1.4477 1.4475 -0.1393 -0.0295 -0.0191 1004 NAG B N2 3376 O O3 . NAG L . ? 1.7778 1.0700 1.4450 0.4130 -0.0655 -0.0447 1004 NAG B O3 3377 O O4 . NAG L . ? 0.8657 1.4400 0.9980 -0.1333 -0.3195 0.1843 1004 NAG B O4 3378 O O5 . NAG L . ? 1.8390 1.2707 1.6315 0.0805 -0.0263 0.1431 1004 NAG B O5 3379 O O6 . NAG L . ? 1.3252 0.9354 1.7293 0.2092 -0.3931 0.0106 1004 NAG B O6 3380 O O7 . NAG L . ? 1.5663 1.0806 1.0012 0.0541 -0.0818 -0.1540 1004 NAG B O7 3381 O O . HOH M . ? 0.4055 0.8040 0.7462 0.0671 0.1555 0.0990 1101 HOH A O 3382 O O . HOH M . ? 1.0285 0.6665 0.9079 0.0956 -0.3419 -0.1157 1102 HOH A O 3383 O O . HOH M . ? 0.8921 0.8723 0.5820 0.0813 -0.2160 0.0256 1103 HOH A O 3384 O O . HOH M . ? 0.6613 0.7184 1.0284 0.0285 0.0412 -0.1277 1104 HOH A O 3385 O O . HOH M . ? 0.7797 0.6586 1.2575 0.0215 -0.2290 0.1640 1105 HOH A O 3386 O O . HOH M . ? 0.8444 0.7753 1.1076 0.2393 -0.0355 0.2907 1106 HOH A O 3387 O O . HOH M . ? 0.6381 0.6871 0.8474 -0.0130 -0.1158 -0.0858 1107 HOH A O 3388 O O . HOH M . ? 0.7622 0.9252 0.8546 0.1911 0.0184 0.2226 1108 HOH A O 3389 O O . HOH M . ? 1.1234 0.4975 0.6486 -0.1668 -0.0574 -0.0442 1109 HOH A O 3390 O O . HOH M . ? 0.5627 0.8039 0.6982 -0.2732 -0.1574 0.2249 1110 HOH A O 3391 O O . HOH M . ? 0.7446 0.6072 0.7190 0.1149 0.1448 0.0200 1111 HOH A O 3392 O O . HOH M . ? 0.5649 0.7476 1.1037 0.1598 -0.0160 -0.0545 1112 HOH A O 3393 O O . HOH M . ? 0.6367 0.7586 0.8726 0.0893 -0.0518 0.0422 1113 HOH A O 3394 O O . HOH M . ? 0.5344 1.0656 0.8696 0.0085 0.1008 -0.2107 1114 HOH A O 3395 O O . HOH M . ? 1.3468 0.5089 1.0032 0.0131 -0.0302 0.0687 1115 HOH A O 3396 O O . HOH M . ? 1.2839 0.6988 1.2660 -0.0644 -0.3809 0.1170 1116 HOH A O 3397 O O . HOH M . ? 0.5529 0.8746 0.6695 0.0527 0.0665 0.2833 1117 HOH A O 3398 O O . HOH M . ? 1.1170 0.6556 1.0228 0.0804 0.1125 0.1177 1118 HOH A O 3399 O O . HOH M . ? 0.3029 0.4143 0.4696 0.0899 0.1410 0.0901 1119 HOH A O 3400 O O . HOH M . ? 0.2533 0.4627 0.2913 0.0343 0.0363 -0.0221 1120 HOH A O 3401 O O . HOH M . ? 0.2512 0.3215 0.4104 0.0165 -0.0002 -0.0435 1121 HOH A O 3402 O O . HOH M . ? 0.2357 0.3268 0.3628 -0.0194 0.0374 -0.0186 1122 HOH A O 3403 O O . HOH M . ? 0.3155 0.4610 0.3049 -0.0454 0.0710 0.0499 1123 HOH A O 3404 O O . HOH M . ? 0.5447 0.3460 0.4726 0.0000 0.0366 -0.0104 1124 HOH A O 3405 O O . HOH M . ? 0.3807 0.3327 0.5606 0.0606 0.0885 0.0082 1125 HOH A O 3406 O O . HOH M . ? 0.4579 0.2870 0.4622 -0.0443 0.1131 -0.1215 1126 HOH A O 3407 O O . HOH M . ? 0.4820 0.3917 0.4347 -0.1077 -0.0532 -0.1015 1127 HOH A O 3408 O O . HOH M . ? 0.3172 0.3656 0.4040 0.0340 -0.0123 -0.0152 1128 HOH A O 3409 O O . HOH M . ? 0.3513 0.3374 0.4885 0.0678 0.1298 0.0603 1129 HOH A O 3410 O O . HOH M . ? 0.2735 0.3253 0.5299 0.0394 0.0156 -0.0276 1130 HOH A O 3411 O O . HOH M . ? 0.2221 0.2455 0.3109 0.0066 0.0062 -0.0001 1131 HOH A O 3412 O O . HOH M . ? 0.4215 0.2552 0.4211 0.0216 0.0147 -0.0692 1132 HOH A O 3413 O O . HOH M . ? 0.5021 0.3499 0.4715 -0.0456 -0.0038 -0.0039 1133 HOH A O 3414 O O . HOH M . ? 0.3062 0.3541 0.3806 -0.0238 0.0724 -0.0528 1134 HOH A O 3415 O O . HOH M . ? 0.4010 0.4023 0.6208 0.0482 -0.0157 -0.1005 1135 HOH A O 3416 O O . HOH M . ? 0.4619 0.3537 0.4210 0.1857 0.0577 0.0916 1136 HOH A O 3417 O O . HOH M . ? 0.3630 0.4103 0.4040 0.0450 -0.0139 -0.0274 1137 HOH A O 3418 O O . HOH M . ? 0.5849 0.3487 0.6499 -0.0230 -0.0382 -0.0389 1138 HOH A O 3419 O O . HOH M . ? 0.2504 0.3995 0.4854 -0.0394 -0.0770 -0.0029 1139 HOH A O 3420 O O . HOH M . ? 0.2953 0.3765 0.5022 0.0463 0.0124 -0.0042 1140 HOH A O 3421 O O . HOH M . ? 0.4406 0.4410 0.5175 -0.0783 -0.1869 0.0498 1141 HOH A O 3422 O O . HOH M . ? 0.4924 0.3153 0.5340 -0.0648 0.0453 0.0524 1142 HOH A O 3423 O O . HOH M . ? 0.4994 0.3806 0.5508 -0.0406 0.0850 -0.1283 1143 HOH A O 3424 O O . HOH M . ? 0.3472 0.4397 0.5122 -0.0493 -0.1421 0.0029 1144 HOH A O 3425 O O . HOH M . ? 0.5724 0.5736 0.7279 -0.1787 0.0259 -0.2436 1145 HOH A O 3426 O O . HOH M . ? 0.6717 0.4610 0.7612 -0.0634 0.1318 -0.0343 1146 HOH A O 3427 O O . HOH M . ? 0.5383 0.7587 0.6698 -0.0373 0.0594 -0.0087 1147 HOH A O 3428 O O . HOH M . ? 0.4029 0.3892 0.4636 -0.0427 0.0830 -0.0562 1148 HOH A O 3429 O O . HOH M . ? 0.2301 0.4320 0.5833 0.0226 -0.0292 -0.0462 1149 HOH A O 3430 O O . HOH M . ? 0.5303 0.3732 0.4704 0.0243 -0.1173 -0.0898 1150 HOH A O 3431 O O . HOH M . ? 0.4339 0.3764 0.6266 0.0572 -0.0229 -0.1455 1151 HOH A O 3432 O O . HOH M . ? 0.4244 0.3341 0.5048 -0.0587 -0.0179 -0.0039 1152 HOH A O 3433 O O . HOH M . ? 0.4478 0.5051 0.6152 0.0018 0.0433 -0.0085 1153 HOH A O 3434 O O . HOH M . ? 0.2947 0.3732 0.4439 0.0192 0.0336 0.0412 1154 HOH A O 3435 O O . HOH M . ? 0.6221 0.4215 0.6911 -0.1190 0.0908 -0.0278 1155 HOH A O 3436 O O . HOH M . ? 0.7188 0.3901 0.7058 -0.2203 -0.0149 0.0360 1156 HOH A O 3437 O O . HOH M . ? 0.7702 0.5141 0.8257 0.2721 0.0767 -0.2808 1157 HOH A O 3438 O O . HOH M . ? 0.4501 0.7268 0.5919 0.0068 0.0845 -0.0341 1158 HOH A O 3439 O O . HOH M . ? 0.3839 0.6961 0.6811 0.0289 0.1743 0.1633 1159 HOH A O 3440 O O . HOH M . ? 0.4562 0.4472 0.6148 -0.0652 -0.0842 0.0218 1160 HOH A O 3441 O O . HOH M . ? 0.4527 0.4509 0.5282 -0.0058 -0.0137 0.0099 1161 HOH A O 3442 O O . HOH M . ? 0.2252 0.5912 0.8757 -0.0712 0.0159 0.0414 1162 HOH A O 3443 O O . HOH M . ? 0.4598 0.4485 0.5038 -0.0281 0.0267 -0.1396 1163 HOH A O 3444 O O . HOH M . ? 0.6066 0.5111 0.9684 -0.1685 0.0726 -0.2219 1164 HOH A O 3445 O O . HOH M . ? 0.7189 0.3698 0.5368 -0.0560 -0.0681 0.0516 1165 HOH A O 3446 O O . HOH M . ? 0.8758 0.8194 0.5117 -0.0126 0.0080 -0.2542 1166 HOH A O 3447 O O . HOH M . ? 0.3867 0.4951 0.4141 -0.1445 0.1066 -0.1316 1167 HOH A O 3448 O O . HOH M . ? 0.4966 0.4619 0.7026 -0.1428 -0.2014 0.1374 1168 HOH A O 3449 O O . HOH M . ? 0.4521 0.8031 0.9733 0.0760 -0.1222 -0.2799 1169 HOH A O 3450 O O . HOH M . ? 0.6330 0.9405 0.5355 0.2464 0.0217 -0.0596 1170 HOH A O 3451 O O . HOH M . ? 0.6341 0.5088 0.6983 0.0332 0.1498 -0.0814 1171 HOH A O 3452 O O . HOH M . ? 0.3315 0.6323 0.6700 -0.0876 0.0621 0.0441 1172 HOH A O 3453 O O . HOH M . ? 0.7065 0.5265 0.5745 -0.0038 -0.1886 -0.0056 1173 HOH A O 3454 O O . HOH M . ? 0.5405 0.5490 0.5576 -0.0106 -0.0387 0.0669 1174 HOH A O 3455 O O . HOH M . ? 1.1050 0.6565 1.2772 -0.3020 -0.4153 -0.6368 1175 HOH A O 3456 O O . HOH M . ? 0.8459 0.6134 0.8917 0.1350 -0.1806 0.2761 1176 HOH A O 3457 O O . HOH M . ? 0.8216 0.7967 0.4245 -0.1396 0.0125 0.1138 1177 HOH A O 3458 O O . HOH M . ? 0.2947 0.2857 0.4354 0.0157 -0.1544 -0.0448 1178 HOH A O 3459 O O . HOH M . ? 0.6747 0.6035 0.6244 -0.1126 0.3553 0.1613 1179 HOH A O 3460 O O . HOH M . ? 0.3777 0.6044 1.0956 0.1511 -0.1518 -0.2613 1180 HOH A O 3461 O O . HOH M . ? 0.5085 0.4604 0.5584 -0.0557 0.1877 -0.0774 1181 HOH A O 3462 O O . HOH M . ? 1.0858 0.7518 0.7792 -0.1619 0.0437 -0.2941 1182 HOH A O 3463 O O . HOH M . ? 0.7448 0.5696 0.5489 -0.0149 -0.0195 0.0257 1183 HOH A O 3464 O O . HOH M . ? 0.3682 0.4795 0.9715 -0.2005 0.0558 0.2655 1184 HOH A O 3465 O O . HOH M . ? 0.3725 0.3873 0.5263 0.0090 0.0026 -0.1680 1185 HOH A O 3466 O O . HOH M . ? 0.3915 0.6138 0.5688 -0.0157 -0.0314 -0.2546 1186 HOH A O 3467 O O . HOH M . ? 0.4806 0.5230 0.6608 -0.1524 0.1217 -0.2167 1187 HOH A O 3468 O O . HOH M . ? 0.5335 0.5053 0.8617 -0.0230 0.0049 0.0296 1188 HOH A O 3469 O O . HOH M . ? 0.8603 0.6715 0.8285 0.2061 -0.2058 0.0553 1189 HOH A O 3470 O O . HOH M . ? 0.7186 0.4813 0.6113 0.0990 0.2093 0.1235 1190 HOH A O 3471 O O . HOH M . ? 0.6063 1.0123 0.5641 -0.0369 0.0007 -0.1656 1191 HOH A O 3472 O O . HOH M . ? 0.4556 0.7300 0.8339 0.0130 -0.1535 -0.1706 1192 HOH A O 3473 O O . HOH M . ? 1.0673 1.1816 0.4288 -0.1570 0.0798 -0.0734 1193 HOH A O 3474 O O . HOH M . ? 0.5681 0.4123 0.6818 0.0528 0.0497 0.0841 1194 HOH A O 3475 O O . HOH M . ? 0.6672 0.3385 0.7740 0.0258 -0.0275 0.0386 1195 HOH A O 3476 O O . HOH M . ? 0.7296 0.3901 0.5621 0.1092 -0.0457 -0.0558 1196 HOH A O 3477 O O . HOH M . ? 0.7952 0.4025 0.8943 0.0259 -0.0382 0.0201 1197 HOH A O 3478 O O . HOH M . ? 0.6010 0.5319 1.0596 0.0303 -0.1199 -0.1683 1198 HOH A O 3479 O O . HOH M . ? 0.6858 0.6010 0.6215 0.0010 -0.1069 -0.1302 1199 HOH A O 3480 O O . HOH M . ? 0.7872 0.7978 0.9714 0.2530 -0.4888 -0.1795 1200 HOH A O 3481 O O . HOH M . ? 0.4568 0.6618 0.4087 0.0971 0.0762 0.0275 1201 HOH A O 3482 O O . HOH M . ? 0.7042 0.8631 0.8284 0.0859 0.0689 -0.2016 1202 HOH A O 3483 O O . HOH M . ? 0.6438 0.5669 0.4973 0.1270 0.0940 0.0868 1203 HOH A O 3484 O O . HOH M . ? 1.0115 0.6603 0.5768 -0.0969 -0.1124 0.3160 1204 HOH A O 3485 O O . HOH M . ? 0.5130 0.4969 0.4072 -0.0708 0.1689 -0.0310 1205 HOH A O 3486 O O . HOH M . ? 0.4038 0.6758 0.5032 0.0796 -0.1079 -0.1565 1206 HOH A O 3487 O O . HOH M . ? 0.4426 0.7729 0.8556 0.0195 0.0034 0.1511 1207 HOH A O 3488 O O . HOH M . ? 0.6609 1.4384 0.9005 0.0195 -0.1397 0.4561 1208 HOH A O 3489 O O . HOH M . ? 0.4875 0.8733 0.7197 -0.2349 -0.1901 -0.1046 1209 HOH A O 3490 O O . HOH M . ? 0.6452 0.6197 0.6192 -0.0563 -0.1675 0.1827 1210 HOH A O 3491 O O . HOH M . ? 0.5454 0.5283 0.7483 -0.0236 -0.1384 0.0855 1211 HOH A O 3492 O O . HOH M . ? 0.4253 0.3463 0.3302 0.0471 0.0862 -0.0295 1212 HOH A O 3493 O O . HOH M . ? 0.6405 0.5298 0.3530 0.0165 -0.0483 -0.2138 1213 HOH A O 3494 O O . HOH M . ? 0.3072 0.3715 0.4029 0.0038 -0.0210 -0.0691 1214 HOH A O 3495 O O . HOH M . ? 0.6742 0.7085 0.9010 -0.2011 -0.1100 -0.1271 1215 HOH A O 3496 O O . HOH M . ? 0.5963 0.4592 0.5115 0.0434 -0.1178 -0.0061 1216 HOH A O 3497 O O . HOH M . ? 0.7855 0.4768 0.7215 -0.0355 -0.1371 0.2648 1217 HOH A O 3498 O O . HOH M . ? 0.7074 0.5862 0.5136 0.0082 0.0104 0.0626 1218 HOH A O 3499 O O . HOH M . ? 0.4846 0.5409 0.6897 0.1117 0.2312 0.0846 1219 HOH A O 3500 O O . HOH M . ? 0.6653 0.6391 0.6687 -0.0645 0.1890 -0.0705 1220 HOH A O 3501 O O . HOH M . ? 1.0208 0.4085 0.6065 0.1514 -0.1983 -0.2296 1221 HOH A O 3502 O O . HOH M . ? 0.8352 0.3415 0.5668 0.1528 0.0164 -0.1004 1222 HOH A O 3503 O O . HOH M . ? 0.5680 0.8888 0.7738 -0.0258 -0.0799 0.0051 1223 HOH A O 3504 O O . HOH M . ? 0.4743 0.7215 0.7516 0.1041 -0.0495 -0.3128 1224 HOH A O 3505 O O . HOH M . ? 0.6540 0.6317 0.5672 -0.0191 -0.0712 0.1335 1225 HOH A O 3506 O O . HOH M . ? 0.7626 0.6914 0.4399 0.0321 -0.0496 -0.0875 1226 HOH A O 3507 O O . HOH M . ? 0.5851 0.3463 0.4822 -0.0019 0.1029 0.0157 1227 HOH A O 3508 O O . HOH M . ? 0.5447 0.7886 0.6014 0.0388 0.1222 0.1873 1228 HOH A O 3509 O O . HOH M . ? 0.6269 0.5546 0.7879 -0.0265 -0.1027 0.0074 1229 HOH A O 3510 O O . HOH M . ? 0.6843 0.8396 0.6560 -0.0992 0.2133 0.0041 1230 HOH A O 3511 O O . HOH M . ? 0.6150 0.4666 0.7520 0.2486 0.1510 0.1520 1231 HOH A O 3512 O O . HOH M . ? 0.6078 0.6411 0.6707 0.0399 0.0646 -0.0604 1232 HOH A O 3513 O O . HOH M . ? 0.4016 1.2522 0.6347 -0.0061 -0.0041 -0.0657 1233 HOH A O 3514 O O . HOH M . ? 1.0756 0.7194 0.8965 -0.0337 -0.3356 0.2792 1234 HOH A O 3515 O O . HOH M . ? 0.3506 0.4028 0.4687 0.0577 0.1572 0.0834 1235 HOH A O 3516 O O . HOH M . ? 0.5402 0.5755 0.9366 0.1676 -0.2196 -0.2011 1236 HOH A O 3517 O O . HOH M . ? 0.4312 0.8248 0.8336 0.0831 -0.1624 -0.1965 1237 HOH A O 3518 O O . HOH M . ? 0.6840 0.5745 0.8874 0.0011 -0.0800 0.0715 1238 HOH A O 3519 O O . HOH M . ? 0.8058 0.5290 0.5226 0.1483 -0.0961 -0.1649 1239 HOH A O 3520 O O . HOH M . ? 0.5612 0.6216 0.6903 0.0053 -0.0604 0.0909 1240 HOH A O 3521 O O . HOH M . ? 0.3783 0.5410 0.9360 -0.1157 -0.1218 -0.1748 1241 HOH A O 3522 O O . HOH M . ? 0.5173 0.5299 0.6055 -0.0903 -0.0023 0.0388 1242 HOH A O 3523 O O . HOH M . ? 0.7967 0.5346 0.8000 -0.1740 0.2599 -0.1096 1243 HOH A O 3524 O O . HOH M . ? 1.1443 0.9747 0.7292 0.0829 0.2137 -0.2375 1244 HOH A O 3525 O O . HOH M . ? 0.5082 0.3683 0.4104 0.0365 0.0902 0.0223 1245 HOH A O 3526 O O . HOH M . ? 0.7214 0.4781 0.6945 0.1626 0.0469 0.1008 1246 HOH A O 3527 O O . HOH M . ? 0.5164 0.8768 0.6643 -0.3206 0.2366 -0.0583 1247 HOH A O 3528 O O . HOH M . ? 0.5557 0.4932 0.5863 0.0657 0.1438 0.1443 1248 HOH A O 3529 O O . HOH M . ? 0.6933 0.6816 0.5487 0.1419 0.0481 0.0271 1249 HOH A O 3530 O O . HOH M . ? 0.5392 0.5463 0.8722 0.1642 -0.0012 -0.0133 1250 HOH A O 3531 O O . HOH M . ? 0.5158 0.8040 0.7340 -0.1936 -0.0670 0.2245 1251 HOH A O 3532 O O . HOH M . ? 1.0704 0.5334 1.0889 0.3662 -0.0028 0.1262 1252 HOH A O 3533 O O . HOH M . ? 0.6166 0.5521 0.5424 -0.0709 0.0580 0.0572 1253 HOH A O 3534 O O . HOH M . ? 0.7251 0.7988 0.6840 0.1593 -0.1139 -0.0462 1254 HOH A O 3535 O O . HOH M . ? 0.7728 0.7130 0.4251 -0.1823 -0.0830 0.0124 1255 HOH A O 3536 O O . HOH M . ? 0.6485 0.8055 0.5346 0.0621 0.1148 0.0378 1256 HOH A O 3537 O O . HOH M . ? 0.4487 0.5377 0.7567 0.0945 -0.0915 0.1543 1257 HOH A O 3538 O O . HOH M . ? 0.7178 0.9585 0.4942 0.1120 -0.1206 0.2662 1258 HOH A O 3539 O O . HOH M . ? 0.7023 0.6852 0.9372 0.2077 -0.2073 -0.0657 1259 HOH A O 3540 O O . HOH M . ? 0.5917 0.5483 0.8026 0.0187 -0.0294 -0.0074 1260 HOH A O 3541 O O . HOH M . ? 0.7139 0.8787 0.7004 0.1882 0.1062 -0.0271 1261 HOH A O 3542 O O . HOH M . ? 1.1037 0.7308 0.9653 -0.0470 -0.0565 0.4272 1262 HOH A O 3543 O O . HOH M . ? 0.8775 0.6003 0.6756 -0.0263 0.1951 -0.1715 1263 HOH A O 3544 O O . HOH M . ? 0.4689 0.7689 1.1326 0.0955 -0.1100 -0.0789 1264 HOH A O 3545 O O . HOH M . ? 0.7662 0.6757 0.8655 -0.0563 0.1993 -0.1512 1265 HOH A O 3546 O O . HOH M . ? 0.6626 0.5674 0.7083 0.1227 0.2349 0.2640 1266 HOH A O 3547 O O . HOH M . ? 1.1025 0.7121 1.2600 0.4022 0.0791 -0.3005 1267 HOH A O 3548 O O . HOH M . ? 0.3624 0.8024 0.6956 -0.2326 0.1776 -0.1402 1268 HOH A O 3549 O O . HOH M . ? 0.6864 0.7256 0.7886 0.0190 -0.0394 -0.2010 1269 HOH A O 3550 O O . HOH M . ? 0.7635 0.5479 0.5035 0.0105 -0.1914 -0.1062 1270 HOH A O 3551 O O . HOH M . ? 0.6737 0.4115 0.9891 0.1397 -0.1098 0.1591 1271 HOH A O 3552 O O . HOH M . ? 0.7511 0.9065 0.8493 0.2012 -0.1422 -0.0858 1272 HOH A O 3553 O O . HOH M . ? 0.7549 0.9721 0.7261 -0.0104 -0.1418 -0.0129 1273 HOH A O 3554 O O . HOH M . ? 0.6926 0.6802 0.9745 -0.0752 0.0749 0.2814 1274 HOH A O 3555 O O . HOH M . ? 0.6153 0.5298 0.7911 0.1060 0.2023 0.0117 1275 HOH A O 3556 O O . HOH M . ? 0.4736 0.6552 0.7464 -0.0304 0.0283 -0.0685 1276 HOH A O 3557 O O . HOH M . ? 1.4491 1.0502 0.5744 -0.7771 0.1365 -0.1979 1277 HOH A O 3558 O O . HOH M . ? 0.7367 0.7163 1.0106 -0.0627 0.1333 -0.0572 1278 HOH A O 3559 O O . HOH M . ? 0.9592 0.9522 0.8556 -0.0437 0.0581 -0.0211 1279 HOH A O 3560 O O . HOH M . ? 0.7302 0.8905 0.9326 0.1097 -0.1015 -0.2146 1280 HOH A O 3561 O O . HOH M . ? 0.5934 0.9966 0.9663 0.0989 0.1221 0.3762 1281 HOH A O 3562 O O . HOH M . ? 0.8434 0.8420 0.7301 0.2952 -0.2305 -0.0367 1282 HOH A O 3563 O O . HOH M . ? 0.9016 0.6027 0.9579 0.0151 -0.1697 -0.1620 1283 HOH A O 3564 O O . HOH M . ? 0.4926 1.0649 0.8584 0.1389 -0.1246 0.1000 1284 HOH A O 3565 O O . HOH M . ? 0.7205 0.7128 1.2516 -0.2044 -0.1787 -0.1025 1285 HOH A O 3566 O O . HOH M . ? 0.6550 0.6279 0.7633 0.0802 -0.0133 0.0278 1286 HOH A O 3567 O O . HOH M . ? 0.7083 0.6697 0.7323 0.0435 -0.0382 -0.0120 1287 HOH A O 3568 O O . HOH N . ? 1.1023 0.5029 0.8606 -0.2674 -0.1320 0.2323 1101 HOH B O 3569 O O . HOH N . ? 0.7601 0.5617 1.1196 -0.1278 -0.2677 -0.1250 1102 HOH B O 3570 O O . HOH N . ? 0.7259 0.5777 0.7075 0.0181 0.0696 0.2169 1103 HOH B O 3571 O O . HOH N . ? 0.7493 0.8656 0.8464 0.0703 -0.0446 -0.0369 1104 HOH B O 3572 O O . HOH N . ? 0.6798 0.9465 0.7520 -0.1048 -0.1386 0.3624 1105 HOH B O 3573 O O . HOH N . ? 1.1320 1.1555 0.6191 -0.0768 -0.2592 0.1138 1106 HOH B O 3574 O O . HOH N . ? 0.6187 0.5841 0.8570 0.2963 -0.0411 0.0644 1107 HOH B O 3575 O O . HOH N . ? 0.8171 0.7747 0.5836 -0.0617 0.0999 0.0540 1108 HOH B O 3576 O O . HOH N . ? 0.9171 0.9260 0.9454 -0.1688 -0.2230 0.0264 1109 HOH B O 3577 O O . HOH N . ? 0.8382 0.8066 0.9652 0.0386 -0.1117 -0.0366 1110 HOH B O 3578 O O . HOH N . ? 1.1087 1.2318 0.5827 -0.2363 0.0888 0.0730 1111 HOH B O 3579 O O . HOH N . ? 0.3264 0.2850 0.4244 -0.0439 0.0229 0.1524 1112 HOH B O 3580 O O . HOH N . ? 0.5109 0.3779 0.4334 0.0178 -0.0614 -0.0721 1113 HOH B O 3581 O O . HOH N . ? 0.4424 0.3861 0.4647 -0.0724 0.0399 0.0689 1114 HOH B O 3582 O O . HOH N . ? 0.5220 0.3644 0.4041 -0.1386 0.0035 0.1179 1115 HOH B O 3583 O O . HOH N . ? 0.4427 0.3608 0.4731 0.0316 0.0151 0.0583 1116 HOH B O 3584 O O . HOH N . ? 0.4297 0.3132 0.2929 0.0266 0.0307 0.0194 1117 HOH B O 3585 O O . HOH N . ? 0.6053 0.3754 0.2291 -0.0376 -0.0107 0.0323 1118 HOH B O 3586 O O . HOH N . ? 0.4138 0.7243 0.5466 0.1685 -0.0063 0.2047 1119 HOH B O 3587 O O . HOH N . ? 0.5570 0.3422 0.3822 0.0729 0.1001 0.1724 1120 HOH B O 3588 O O . HOH N . ? 0.5994 0.5893 0.4994 0.1039 -0.1194 0.2347 1121 HOH B O 3589 O O . HOH N . ? 0.4242 0.4731 0.3429 -0.0010 -0.0194 0.0892 1122 HOH B O 3590 O O . HOH N . ? 0.7630 0.4880 0.4076 -0.1220 0.0777 0.0230 1123 HOH B O 3591 O O . HOH N . ? 0.4567 0.4088 0.5680 0.1117 0.0195 0.1203 1124 HOH B O 3592 O O . HOH N . ? 0.6109 0.5042 0.5489 0.3235 0.0785 0.0807 1125 HOH B O 3593 O O . HOH N . ? 0.5556 0.4193 0.5639 0.0675 -0.1390 -0.0939 1126 HOH B O 3594 O O . HOH N . ? 0.6178 0.8551 0.7464 0.1256 -0.1473 -0.2466 1127 HOH B O 3595 O O . HOH N . ? 0.4151 0.3614 0.4303 0.0571 -0.0184 0.0513 1128 HOH B O 3596 O O . HOH N . ? 0.8001 0.4204 0.4196 0.0828 -0.0904 0.0786 1129 HOH B O 3597 O O . HOH N . ? 0.5552 0.5515 0.6692 -0.0162 -0.1913 0.2041 1130 HOH B O 3598 O O . HOH N . ? 0.5650 0.2968 0.5665 0.0804 0.1467 -0.0325 1131 HOH B O 3599 O O . HOH N . ? 0.6997 0.6497 0.5899 0.3097 0.0190 0.1168 1132 HOH B O 3600 O O . HOH N . ? 0.8497 0.2356 0.5672 -0.0074 -0.1035 0.0705 1133 HOH B O 3601 O O . HOH N . ? 0.5471 0.4419 0.6129 0.1204 -0.0699 0.0820 1134 HOH B O 3602 O O . HOH N . ? 0.4798 0.5472 0.4864 0.2481 -0.0445 0.1427 1135 HOH B O 3603 O O . HOH N . ? 0.5548 0.5069 0.5661 0.1924 -0.0209 0.1446 1136 HOH B O 3604 O O . HOH N . ? 0.5212 0.6428 0.5187 0.0047 0.0480 0.0058 1137 HOH B O 3605 O O . HOH N . ? 0.6176 0.6690 0.7316 0.1137 -0.2100 0.1167 1138 HOH B O 3606 O O . HOH N . ? 0.3982 0.2819 0.4929 0.0035 -0.0185 -0.0053 1139 HOH B O 3607 O O . HOH N . ? 0.5431 0.6825 0.6000 0.1619 -0.1135 0.0804 1140 HOH B O 3608 O O . HOH N . ? 1.6014 0.4392 0.5394 0.4109 -0.3611 -0.0459 1141 HOH B O 3609 O O . HOH N . ? 0.6984 0.3759 0.7095 0.0496 -0.1140 0.2390 1142 HOH B O 3610 O O . HOH N . ? 0.7585 0.9009 1.1909 0.3434 -0.2036 -0.1182 1143 HOH B O 3611 O O . HOH N . ? 0.5880 0.5933 0.9991 -0.1619 0.1569 -0.2215 1144 HOH B O 3612 O O . HOH N . ? 0.6181 0.9252 0.6508 0.3845 -0.0866 0.0583 1145 HOH B O 3613 O O . HOH N . ? 0.9169 0.6492 1.1413 0.2418 0.1285 0.0863 1146 HOH B O 3614 O O . HOH N . ? 0.8404 0.6177 0.7444 0.0305 -0.1583 -0.0617 1147 HOH B O 3615 O O . HOH N . ? 0.7565 0.4466 0.8773 -0.1514 0.2035 -0.0356 1148 HOH B O 3616 O O . HOH N . ? 0.6009 0.8440 0.4714 0.0346 0.0143 -0.0428 1149 HOH B O 3617 O O . HOH N . ? 0.5064 0.3763 0.5998 0.1908 0.0038 0.0048 1150 HOH B O 3618 O O . HOH N . ? 0.4286 0.4767 0.5852 -0.0220 0.0091 0.1066 1151 HOH B O 3619 O O . HOH N . ? 0.4260 0.4477 0.7056 -0.0034 -0.1301 -0.0954 1152 HOH B O 3620 O O . HOH N . ? 0.5791 0.8084 0.6957 0.0680 0.0031 0.0997 1153 HOH B O 3621 O O . HOH N . ? 0.7124 0.5079 0.5034 0.1944 -0.1114 -0.0697 1154 HOH B O 3622 O O . HOH N . ? 0.8669 0.6304 0.7334 0.0694 0.1971 0.3926 1155 HOH B O 3623 O O . HOH N . ? 0.3767 0.7176 0.6335 0.0532 0.1417 0.1709 1156 HOH B O 3624 O O . HOH N . ? 0.5650 0.6706 0.7468 -0.1521 0.0700 -0.0367 1157 HOH B O 3625 O O . HOH N . ? 0.5978 0.6223 0.9812 -0.0836 -0.0355 0.0769 1158 HOH B O 3626 O O . HOH N . ? 0.5183 0.4173 0.5157 0.1237 -0.1223 0.0497 1159 HOH B O 3627 O O . HOH N . ? 0.5382 0.9791 0.6697 0.1452 -0.1194 -0.1187 1160 HOH B O 3628 O O . HOH N . ? 0.7771 0.5862 0.9735 -0.0055 -0.0358 0.2432 1161 HOH B O 3629 O O . HOH N . ? 0.9200 0.6201 0.6976 0.0930 -0.2020 0.2052 1162 HOH B O 3630 O O . HOH N . ? 0.8615 0.7009 0.5978 -0.2849 -0.0110 -0.0142 1163 HOH B O 3631 O O . HOH N . ? 0.7265 0.7560 0.7157 -0.1389 0.1605 -0.1745 1164 HOH B O 3632 O O . HOH N . ? 1.0260 0.8877 0.5447 -0.2648 -0.0454 -0.0733 1165 HOH B O 3633 O O . HOH N . ? 0.9615 0.3547 0.7574 -0.0412 -0.2411 0.0962 1166 HOH B O 3634 O O . HOH N . ? 0.6786 0.8752 0.8846 0.1414 -0.0130 0.2179 1167 HOH B O 3635 O O . HOH N . ? 0.6380 0.9114 0.3969 -0.0814 0.0242 0.0274 1168 HOH B O 3636 O O . HOH N . ? 0.5930 0.4502 0.4814 0.0722 0.0240 0.1448 1169 HOH B O 3637 O O . HOH N . ? 1.0740 0.5427 0.6092 0.2139 -0.0624 0.2055 1170 HOH B O 3638 O O . HOH N . ? 0.7898 0.6057 0.7400 0.1311 -0.0872 0.0213 1171 HOH B O 3639 O O . HOH N . ? 0.8511 0.6358 0.8699 -0.1164 0.2146 -0.0071 1172 HOH B O 3640 O O . HOH N . ? 0.6685 1.0411 0.9180 0.2087 -0.1410 -0.1968 1173 HOH B O 3641 O O . HOH N . ? 0.8245 0.9309 0.4694 -0.1633 -0.0608 0.1178 1174 HOH B O 3642 O O . HOH N . ? 0.7850 0.7321 0.9134 0.1464 -0.0837 0.3279 1175 HOH B O 3643 O O . HOH N . ? 0.7370 0.5418 0.7081 0.1568 0.0501 -0.0523 1176 HOH B O 3644 O O . HOH N . ? 0.6198 0.3130 0.7001 0.0196 -0.0095 -0.0161 1177 HOH B O 3645 O O . HOH N . ? 0.7379 0.6003 0.7604 -0.1489 -0.0188 0.0339 1178 HOH B O 3646 O O . HOH N . ? 0.8975 0.9174 0.5465 -0.0446 0.2337 0.1016 1179 HOH B O 3647 O O . HOH N . ? 0.8369 0.8597 0.6343 0.3662 -0.0310 0.0510 1180 HOH B O 3648 O O . HOH N . ? 0.5108 0.6839 0.5753 -0.1059 -0.0412 0.0565 1181 HOH B O 3649 O O . HOH N . ? 0.7425 1.0391 0.9346 0.2876 0.0665 0.2656 1182 HOH B O 3650 O O . HOH N . ? 0.6208 0.7146 0.9755 -0.0460 0.1010 -0.0395 1183 HOH B O 3651 O O . HOH N . ? 0.7183 0.7048 0.5838 0.1528 -0.2189 -0.2224 1184 HOH B O 3652 O O . HOH N . ? 0.7684 0.6759 0.9053 -0.1237 -0.0403 0.0608 1185 HOH B O 3653 O O . HOH N . ? 0.9719 0.5691 0.8294 0.1189 -0.2441 0.2451 1186 HOH B O 3654 O O . HOH N . ? 1.0302 0.8114 1.0935 -0.0112 -0.0180 0.0362 1187 HOH B O 3655 O O . HOH N . ? 0.5381 0.7145 1.0074 -0.1843 -0.0499 -0.1425 1188 HOH B O 3656 O O . HOH N . ? 0.6324 0.6041 0.8525 -0.2338 0.1998 -0.0328 1189 HOH B O 3657 O O . HOH N . ? 0.5511 0.5555 0.6246 0.0425 -0.0327 0.1672 1190 HOH B O 3658 O O . HOH N . ? 0.6503 0.8611 0.6141 -0.1928 -0.0724 -0.1038 1191 HOH B O 3659 O O . HOH N . ? 1.0616 0.3907 1.3208 -0.0090 0.2149 -0.1026 1192 HOH B O 3660 O O . HOH N . ? 0.9890 0.9697 0.9511 -0.1920 -0.1620 0.0710 1193 HOH B O 3661 O O . HOH N . ? 0.5242 0.9814 0.9837 0.3351 -0.0448 0.1410 1194 HOH B O 3662 O O . HOH N . ? 0.8405 0.5018 0.6896 -0.0136 0.1406 0.2443 1195 HOH B O 3663 O O . HOH N . ? 1.0891 1.2346 0.9048 -0.0553 -0.0052 0.0320 1196 HOH B O 3664 O O . HOH N . ? 0.5694 0.8786 0.8802 0.2654 -0.1383 -0.2281 1197 HOH B O 3665 O O . HOH N . ? 1.0270 1.1188 0.9207 0.0764 0.4504 0.1408 1198 HOH B O 3666 O O . HOH N . ? 0.7695 0.5716 0.7673 0.2188 -0.1024 0.1823 1199 HOH B O 3667 O O . HOH N . ? 0.5334 0.6791 0.9009 0.1795 0.0337 -0.0016 1200 HOH B O 3668 O O . HOH N . ? 0.8363 0.5199 0.8977 0.3300 -0.0286 -0.0813 1201 HOH B O 3669 O O . HOH N . ? 0.7353 0.6420 0.7996 0.1984 -0.0446 -0.0050 1202 HOH B O 3670 O O . HOH N . ? 0.8328 0.6602 0.6245 0.1024 -0.0751 -0.0248 1203 HOH B O 3671 O O . HOH N . ? 0.6025 0.5385 0.5912 0.1605 0.0586 0.0745 1204 HOH B O 3672 O O . HOH N . ? 1.1360 0.7006 0.5502 0.2606 -0.0938 -0.0738 1205 HOH B O 3673 O O . HOH N . ? 0.5181 0.9811 0.5527 -0.0720 0.0633 0.1317 1206 HOH B O 3674 O O . HOH N . ? 2.6594 0.9482 1.1805 0.7275 -0.4005 0.5306 1207 HOH B O 3675 O O . HOH N . ? 1.1676 0.8552 0.5708 -0.1222 0.2736 0.2510 1208 HOH B O 3676 O O . HOH N . ? 1.0370 0.7454 0.5578 -0.2071 -0.0367 0.1180 1209 HOH B O 3677 O O . HOH N . ? 0.5376 0.7492 0.4040 -0.0395 0.0491 -0.0165 1210 HOH B O 3678 O O . HOH N . ? 0.6205 0.9073 0.7035 -0.1207 -0.0227 -0.0268 1211 HOH B O 3679 O O . HOH N . ? 1.1521 0.6919 0.8676 -0.2277 -0.2198 -0.0666 1212 HOH B O 3680 O O . HOH N . ? 1.0530 0.6064 1.0342 0.4822 -0.0106 -0.0815 1213 HOH B O 3681 O O . HOH N . ? 0.8531 0.5208 1.1989 0.2668 -0.2476 0.0828 1214 HOH B O 3682 O O . HOH N . ? 0.6846 0.6775 0.7997 0.1480 0.0977 -0.0932 1215 HOH B O 3683 O O . HOH N . ? 0.6523 1.3559 1.0874 -0.1177 0.0254 -0.1919 1216 HOH B O 3684 O O . HOH N . ? 0.5155 0.9472 0.6798 0.1042 0.0571 -0.0613 1217 HOH B O 3685 O O . HOH N . ? 0.9236 1.3531 0.6753 0.2959 0.1165 -0.0716 1218 HOH B O 3686 O O . HOH N . ? 0.5707 1.4764 1.1089 0.0153 0.0282 0.3624 1219 HOH B O 3687 O O . HOH N . ? 1.1167 0.4869 1.3047 -0.0739 0.0942 0.0631 1220 HOH B O 3688 O O . HOH N . ? 1.2143 1.0382 0.5989 -0.0472 -0.1040 0.0137 1221 HOH B O 3689 O O . HOH N . ? 1.4756 1.0417 0.9701 -0.4013 -0.3936 0.1175 1222 HOH B O 3690 O O . HOH N . ? 0.7698 0.5714 0.7529 -0.0983 0.0893 0.2173 1223 HOH B O 3691 O O . HOH N . ? 0.7192 0.5551 0.8039 -0.0136 -0.0803 0.2245 1224 HOH B O 3692 O O . HOH N . ? 0.4518 0.5929 0.7903 0.0565 0.0050 0.1117 1225 HOH B O 3693 O O . HOH N . ? 1.0321 0.8937 0.8396 -0.3094 0.0161 0.1506 1226 HOH B O 3694 O O . HOH N . ? 0.6984 0.8031 0.6988 0.1143 -0.1387 -0.1014 1227 HOH B O 3695 O O . HOH N . ? 0.9037 0.4509 1.0281 0.1249 0.0010 -0.0091 1228 HOH B O 3696 O O . HOH N . ? 0.9492 0.8785 0.7758 0.2102 0.0752 -0.0867 1229 HOH B O 3697 O O . HOH N . ? 1.6983 2.3092 1.2393 -0.1760 0.2848 -0.5028 1230 HOH B O 3698 O O . HOH N . ? 0.7199 0.7120 0.7379 0.2049 -0.0824 0.2322 1231 HOH B O 3699 O O . HOH N . ? 1.0877 0.8434 0.8880 0.1852 -0.0887 0.3751 1232 HOH B O 3700 O O . HOH N . ? 0.8327 0.5985 0.7802 -0.1176 -0.1388 0.1178 1233 HOH B O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 379 ? ? ? A . n A 1 2 GLY 2 380 380 GLY GLY A . n A 1 3 VAL 3 381 381 VAL VAL A . n A 1 4 GLU 4 382 382 GLU GLU A . n A 1 5 CYS 5 383 383 CYS CYS A . n A 1 6 ASP 6 384 384 ASP ASP A . n A 1 7 PHE 7 385 385 PHE PHE A . n A 1 8 SER 8 386 386 SER SER A . n A 1 9 PRO 9 387 387 PRO PRO A . n A 1 10 LEU 10 388 388 LEU LEU A . n A 1 11 LEU 11 389 389 LEU LEU A . n A 1 12 SER 12 390 390 SER SER A . n A 1 13 GLY 13 391 391 GLY GLY A . n A 1 14 THR 14 392 392 THR THR A . n A 1 15 PRO 15 393 393 PRO PRO A . n A 1 16 PRO 16 394 394 PRO PRO A . n A 1 17 GLN 17 395 395 GLN GLN A . n A 1 18 VAL 18 396 396 VAL VAL A . n A 1 19 TYR 19 397 397 TYR TYR A . n A 1 20 ASN 20 398 398 ASN ASN A . n A 1 21 PHE 21 399 399 PHE PHE A . n A 1 22 LYS 22 400 400 LYS LYS A . n A 1 23 ARG 23 401 401 ARG ARG A . n A 1 24 LEU 24 402 402 LEU LEU A . n A 1 25 VAL 25 403 403 VAL VAL A . n A 1 26 PHE 26 404 404 PHE PHE A . n A 1 27 THR 27 405 405 THR THR A . n A 1 28 ASN 28 406 406 ASN ASN A . n A 1 29 CYS 29 407 407 CYS CYS A . n A 1 30 ASN 30 408 408 ASN ASN A . n A 1 31 TYR 31 409 409 TYR TYR A . n A 1 32 ASN 32 410 410 ASN ASN A . n A 1 33 LEU 33 411 411 LEU LEU A . n A 1 34 THR 34 412 412 THR THR A . n A 1 35 LYS 35 413 413 LYS LYS A . n A 1 36 LEU 36 414 414 LEU LEU A . n A 1 37 LEU 37 415 415 LEU LEU A . n A 1 38 SER 38 416 416 SER SER A . n A 1 39 LEU 39 417 417 LEU LEU A . n A 1 40 PHE 40 418 418 PHE PHE A . n A 1 41 SER 41 419 419 SER SER A . n A 1 42 VAL 42 420 420 VAL VAL A . n A 1 43 ASN 43 421 421 ASN ASN A . n A 1 44 ASP 44 422 422 ASP ASP A . n A 1 45 PHE 45 423 423 PHE PHE A . n A 1 46 THR 46 424 424 THR THR A . n A 1 47 CYS 47 425 425 CYS CYS A . n A 1 48 SER 48 426 426 SER SER A . n A 1 49 GLN 49 427 427 GLN GLN A . n A 1 50 ILE 50 428 428 ILE ILE A . n A 1 51 SER 51 429 429 SER SER A . n A 1 52 PRO 52 430 430 PRO PRO A . n A 1 53 ALA 53 431 431 ALA ALA A . n A 1 54 ALA 54 432 432 ALA ALA A . n A 1 55 ILE 55 433 433 ILE ILE A . n A 1 56 ALA 56 434 434 ALA ALA A . n A 1 57 SER 57 435 435 SER SER A . n A 1 58 ASN 58 436 436 ASN ASN A . n A 1 59 CYS 59 437 437 CYS CYS A . n A 1 60 TYR 60 438 438 TYR TYR A . n A 1 61 SER 61 439 439 SER SER A . n A 1 62 SER 62 440 440 SER SER A . n A 1 63 LEU 63 441 441 LEU LEU A . n A 1 64 ILE 64 442 442 ILE ILE A . n A 1 65 LEU 65 443 443 LEU LEU A . n A 1 66 ASP 66 444 444 ASP ASP A . n A 1 67 TYR 67 445 445 TYR TYR A . n A 1 68 PHE 68 446 446 PHE PHE A . n A 1 69 SER 69 447 447 SER SER A . n A 1 70 TYR 70 448 448 TYR TYR A . n A 1 71 PRO 71 449 449 PRO PRO A . n A 1 72 LEU 72 450 450 LEU LEU A . n A 1 73 SER 73 451 451 SER SER A . n A 1 74 MET 74 452 452 MET MET A . n A 1 75 LYS 75 453 453 LYS LYS A . n A 1 76 SER 76 454 454 SER SER A . n A 1 77 ASP 77 455 455 ASP ASP A . n A 1 78 LEU 78 456 456 LEU LEU A . n A 1 79 SER 79 457 457 SER SER A . n A 1 80 VAL 80 458 458 VAL VAL A . n A 1 81 SER 81 459 459 SER SER A . n A 1 82 SER 82 460 460 SER SER A . n A 1 83 ALA 83 461 461 ALA ALA A . n A 1 84 GLY 84 462 462 GLY GLY A . n A 1 85 PRO 85 463 463 PRO PRO A . n A 1 86 ILE 86 464 464 ILE ILE A . n A 1 87 SER 87 465 465 SER SER A . n A 1 88 GLN 88 466 466 GLN GLN A . n A 1 89 PHE 89 467 467 PHE PHE A . n A 1 90 ASN 90 468 468 ASN ASN A . n A 1 91 TYR 91 469 469 TYR TYR A . n A 1 92 LYS 92 470 470 LYS LYS A . n A 1 93 GLN 93 471 471 GLN GLN A . n A 1 94 SER 94 472 472 SER SER A . n A 1 95 PHE 95 473 473 PHE PHE A . n A 1 96 SER 96 474 474 SER SER A . n A 1 97 ASN 97 475 475 ASN ASN A . n A 1 98 PRO 98 476 476 PRO PRO A . n A 1 99 THR 99 477 477 THR THR A . n A 1 100 CYS 100 478 478 CYS CYS A . n A 1 101 LEU 101 479 479 LEU LEU A . n A 1 102 ILE 102 480 480 ILE ILE A . n A 1 103 LEU 103 481 481 LEU LEU A . n A 1 104 ALA 104 482 482 ALA ALA A . n A 1 105 THR 105 483 483 THR THR A . n A 1 106 VAL 106 484 484 VAL VAL A . n A 1 107 PRO 107 485 485 PRO PRO A . n A 1 108 HIS 108 486 486 HIS HIS A . n A 1 109 ASN 109 487 487 ASN ASN A . n A 1 110 LEU 110 488 488 LEU LEU A . n A 1 111 THR 111 489 489 THR THR A . n A 1 112 THR 112 490 490 THR THR A . n A 1 113 ILE 113 491 491 ILE ILE A . n A 1 114 THR 114 492 492 THR THR A . n A 1 115 LYS 115 493 493 LYS LYS A . n A 1 116 PRO 116 494 494 PRO PRO A . n A 1 117 LEU 117 495 495 LEU LEU A . n A 1 118 LYS 118 496 496 LYS LYS A . n A 1 119 TYR 119 497 497 TYR TYR A . n A 1 120 SER 120 498 498 SER SER A . n A 1 121 TYR 121 499 499 TYR TYR A . n A 1 122 ILE 122 500 500 ILE ILE A . n A 1 123 ASN 123 501 501 ASN ASN A . n A 1 124 LYS 124 502 502 LYS LYS A . n A 1 125 CYS 125 503 503 CYS CYS A . n A 1 126 SER 126 504 504 SER SER A . n A 1 127 ARG 127 505 505 ARG ARG A . n A 1 128 LEU 128 506 506 LEU LEU A . n A 1 129 LEU 129 507 507 LEU LEU A . n A 1 130 SER 130 508 508 SER SER A . n A 1 131 ASP 131 509 509 ASP ASP A . n A 1 132 ASP 132 510 510 ASP ASP A . n A 1 133 ARG 133 511 511 ARG ARG A . n A 1 134 THR 134 512 512 THR THR A . n A 1 135 GLU 135 513 513 GLU GLU A . n A 1 136 VAL 136 514 514 VAL VAL A . n A 1 137 PRO 137 515 515 PRO PRO A . n A 1 138 GLN 138 516 516 GLN GLN A . n A 1 139 LEU 139 517 517 LEU LEU A . n A 1 140 VAL 140 518 518 VAL VAL A . n A 1 141 ASN 141 519 519 ASN ASN A . n A 1 142 ALA 142 520 520 ALA ALA A . n A 1 143 ASN 143 521 521 ASN ASN A . n A 1 144 GLN 144 522 522 GLN GLN A . n A 1 145 TYR 145 523 523 TYR TYR A . n A 1 146 SER 146 524 524 SER SER A . n A 1 147 PRO 147 525 525 PRO PRO A . n A 1 148 CYS 148 526 526 CYS CYS A . n A 1 149 VAL 149 527 527 VAL VAL A . n A 1 150 SER 150 528 528 SER SER A . n A 1 151 ILE 151 529 529 ILE ILE A . n A 1 152 VAL 152 530 530 VAL VAL A . n A 1 153 PRO 153 531 531 PRO PRO A . n A 1 154 SER 154 532 532 SER SER A . n A 1 155 THR 155 533 533 THR THR A . n A 1 156 VAL 156 534 534 VAL VAL A . n A 1 157 TRP 157 535 535 TRP TRP A . n A 1 158 GLU 158 536 536 GLU GLU A . n A 1 159 ASP 159 537 537 ASP ASP A . n A 1 160 GLY 160 538 538 GLY GLY A . n A 1 161 ASP 161 539 539 ASP ASP A . n A 1 162 TYR 162 540 540 TYR TYR A . n A 1 163 TYR 163 541 541 TYR TYR A . n A 1 164 ARG 164 542 542 ARG ARG A . n A 1 165 LYS 165 543 543 LYS LYS A . n A 1 166 GLN 166 544 544 GLN GLN A . n A 1 167 LEU 167 545 545 LEU LEU A . n A 1 168 SER 168 546 546 SER SER A . n A 1 169 PRO 169 547 547 PRO PRO A . n A 1 170 LEU 170 548 548 LEU LEU A . n A 1 171 GLU 171 549 549 GLU GLU A . n A 1 172 GLY 172 550 550 GLY GLY A . n A 1 173 GLY 173 551 551 GLY GLY A . n A 1 174 GLY 174 552 552 GLY GLY A . n A 1 175 TRP 175 553 553 TRP TRP A . n A 1 176 LEU 176 554 554 LEU LEU A . n A 1 177 VAL 177 555 555 VAL VAL A . n A 1 178 ALA 178 556 556 ALA ALA A . n A 1 179 SER 179 557 557 SER SER A . n A 1 180 GLY 180 558 558 GLY GLY A . n A 1 181 SER 181 559 559 SER SER A . n A 1 182 THR 182 560 560 THR THR A . n A 1 183 VAL 183 561 561 VAL VAL A . n A 1 184 ALA 184 562 562 ALA ALA A . n A 1 185 MET 185 563 563 MET MET A . n A 1 186 THR 186 564 564 THR THR A . n A 1 187 GLU 187 565 565 GLU GLU A . n A 1 188 GLN 188 566 566 GLN GLN A . n A 1 189 LEU 189 567 567 LEU LEU A . n A 1 190 GLN 190 568 568 GLN GLN A . n A 1 191 MET 191 569 569 MET MET A . n A 1 192 GLY 192 570 570 GLY GLY A . n A 1 193 PHE 193 571 571 PHE PHE A . n A 1 194 GLY 194 572 572 GLY GLY A . n A 1 195 ILE 195 573 573 ILE ILE A . n A 1 196 THR 196 574 574 THR THR A . n A 1 197 VAL 197 575 575 VAL VAL A . n A 1 198 GLN 198 576 576 GLN GLN A . n A 1 199 TYR 199 577 577 TYR TYR A . n A 1 200 GLY 200 578 578 GLY GLY A . n A 1 201 THR 201 579 579 THR THR A . n A 1 202 ASP 202 580 580 ASP ASP A . n A 1 203 THR 203 581 581 THR THR A . n A 1 204 ASN 204 582 582 ASN ASN A . n A 1 205 SER 205 583 583 SER SER A . n A 1 206 VAL 206 584 584 VAL VAL A . n A 1 207 CYS 207 585 585 CYS CYS A . n A 1 208 PRO 208 586 586 PRO PRO A . n A 1 209 LYS 209 587 587 LYS LYS A . n A 1 210 LEU 210 588 588 LEU LEU A . n A 1 211 HIS 211 589 ? ? ? A . n A 1 212 HIS 212 590 ? ? ? A . n A 1 213 HIS 213 591 ? ? ? A . n A 1 214 HIS 214 592 ? ? ? A . n A 1 215 HIS 215 593 ? ? ? A . n A 1 216 HIS 216 594 ? ? ? A . n B 1 1 GLU 1 379 379 GLU GLU B . n B 1 2 GLY 2 380 380 GLY GLY B . n B 1 3 VAL 3 381 381 VAL VAL B . n B 1 4 GLU 4 382 382 GLU GLU B . n B 1 5 CYS 5 383 383 CYS CYS B . n B 1 6 ASP 6 384 384 ASP ASP B . n B 1 7 PHE 7 385 385 PHE PHE B . n B 1 8 SER 8 386 386 SER SER B . n B 1 9 PRO 9 387 387 PRO PRO B . n B 1 10 LEU 10 388 388 LEU LEU B . n B 1 11 LEU 11 389 389 LEU LEU B . n B 1 12 SER 12 390 390 SER SER B . n B 1 13 GLY 13 391 391 GLY GLY B . n B 1 14 THR 14 392 392 THR THR B . n B 1 15 PRO 15 393 393 PRO PRO B . n B 1 16 PRO 16 394 394 PRO PRO B . n B 1 17 GLN 17 395 395 GLN GLN B . n B 1 18 VAL 18 396 396 VAL VAL B . n B 1 19 TYR 19 397 397 TYR TYR B . n B 1 20 ASN 20 398 398 ASN ASN B . n B 1 21 PHE 21 399 399 PHE PHE B . n B 1 22 LYS 22 400 400 LYS LYS B . n B 1 23 ARG 23 401 401 ARG ARG B . n B 1 24 LEU 24 402 402 LEU LEU B . n B 1 25 VAL 25 403 403 VAL VAL B . n B 1 26 PHE 26 404 404 PHE PHE B . n B 1 27 THR 27 405 405 THR THR B . n B 1 28 ASN 28 406 406 ASN ASN B . n B 1 29 CYS 29 407 407 CYS CYS B . n B 1 30 ASN 30 408 408 ASN ASN B . n B 1 31 TYR 31 409 409 TYR TYR B . n B 1 32 ASN 32 410 410 ASN ASN B . n B 1 33 LEU 33 411 411 LEU LEU B . n B 1 34 THR 34 412 412 THR THR B . n B 1 35 LYS 35 413 413 LYS LYS B . n B 1 36 LEU 36 414 414 LEU LEU B . n B 1 37 LEU 37 415 415 LEU LEU B . n B 1 38 SER 38 416 416 SER SER B . n B 1 39 LEU 39 417 417 LEU LEU B . n B 1 40 PHE 40 418 418 PHE PHE B . n B 1 41 SER 41 419 419 SER SER B . n B 1 42 VAL 42 420 420 VAL VAL B . n B 1 43 ASN 43 421 421 ASN ASN B . n B 1 44 ASP 44 422 422 ASP ASP B . n B 1 45 PHE 45 423 423 PHE PHE B . n B 1 46 THR 46 424 424 THR THR B . n B 1 47 CYS 47 425 425 CYS CYS B . n B 1 48 SER 48 426 426 SER SER B . n B 1 49 GLN 49 427 427 GLN GLN B . n B 1 50 ILE 50 428 428 ILE ILE B . n B 1 51 SER 51 429 429 SER SER B . n B 1 52 PRO 52 430 430 PRO PRO B . n B 1 53 ALA 53 431 431 ALA ALA B . n B 1 54 ALA 54 432 432 ALA ALA B . n B 1 55 ILE 55 433 433 ILE ILE B . n B 1 56 ALA 56 434 434 ALA ALA B . n B 1 57 SER 57 435 435 SER SER B . n B 1 58 ASN 58 436 436 ASN ASN B . n B 1 59 CYS 59 437 437 CYS CYS B . n B 1 60 TYR 60 438 438 TYR TYR B . n B 1 61 SER 61 439 439 SER SER B . n B 1 62 SER 62 440 440 SER SER B . n B 1 63 LEU 63 441 441 LEU LEU B . n B 1 64 ILE 64 442 442 ILE ILE B . n B 1 65 LEU 65 443 443 LEU LEU B . n B 1 66 ASP 66 444 444 ASP ASP B . n B 1 67 TYR 67 445 445 TYR TYR B . n B 1 68 PHE 68 446 446 PHE PHE B . n B 1 69 SER 69 447 447 SER SER B . n B 1 70 TYR 70 448 448 TYR TYR B . n B 1 71 PRO 71 449 449 PRO PRO B . n B 1 72 LEU 72 450 450 LEU LEU B . n B 1 73 SER 73 451 451 SER SER B . n B 1 74 MET 74 452 452 MET MET B . n B 1 75 LYS 75 453 453 LYS LYS B . n B 1 76 SER 76 454 454 SER SER B . n B 1 77 ASP 77 455 455 ASP ASP B . n B 1 78 LEU 78 456 456 LEU LEU B . n B 1 79 SER 79 457 457 SER SER B . n B 1 80 VAL 80 458 458 VAL VAL B . n B 1 81 SER 81 459 459 SER SER B . n B 1 82 SER 82 460 460 SER SER B . n B 1 83 ALA 83 461 461 ALA ALA B . n B 1 84 GLY 84 462 462 GLY GLY B . n B 1 85 PRO 85 463 463 PRO PRO B . n B 1 86 ILE 86 464 464 ILE ILE B . n B 1 87 SER 87 465 465 SER SER B . n B 1 88 GLN 88 466 466 GLN GLN B . n B 1 89 PHE 89 467 467 PHE PHE B . n B 1 90 ASN 90 468 468 ASN ASN B . n B 1 91 TYR 91 469 469 TYR TYR B . n B 1 92 LYS 92 470 470 LYS LYS B . n B 1 93 GLN 93 471 471 GLN GLN B . n B 1 94 SER 94 472 472 SER SER B . n B 1 95 PHE 95 473 473 PHE PHE B . n B 1 96 SER 96 474 474 SER SER B . n B 1 97 ASN 97 475 475 ASN ASN B . n B 1 98 PRO 98 476 476 PRO PRO B . n B 1 99 THR 99 477 477 THR THR B . n B 1 100 CYS 100 478 478 CYS CYS B . n B 1 101 LEU 101 479 479 LEU LEU B . n B 1 102 ILE 102 480 480 ILE ILE B . n B 1 103 LEU 103 481 481 LEU LEU B . n B 1 104 ALA 104 482 482 ALA ALA B . n B 1 105 THR 105 483 483 THR THR B . n B 1 106 VAL 106 484 484 VAL VAL B . n B 1 107 PRO 107 485 485 PRO PRO B . n B 1 108 HIS 108 486 486 HIS HIS B . n B 1 109 ASN 109 487 487 ASN ASN B . n B 1 110 LEU 110 488 488 LEU LEU B . n B 1 111 THR 111 489 489 THR THR B . n B 1 112 THR 112 490 490 THR THR B . n B 1 113 ILE 113 491 491 ILE ILE B . n B 1 114 THR 114 492 492 THR THR B . n B 1 115 LYS 115 493 493 LYS LYS B . n B 1 116 PRO 116 494 494 PRO PRO B . n B 1 117 LEU 117 495 495 LEU LEU B . n B 1 118 LYS 118 496 496 LYS LYS B . n B 1 119 TYR 119 497 497 TYR TYR B . n B 1 120 SER 120 498 498 SER SER B . n B 1 121 TYR 121 499 499 TYR TYR B . n B 1 122 ILE 122 500 500 ILE ILE B . n B 1 123 ASN 123 501 501 ASN ASN B . n B 1 124 LYS 124 502 502 LYS LYS B . n B 1 125 CYS 125 503 503 CYS CYS B . n B 1 126 SER 126 504 504 SER SER B . n B 1 127 ARG 127 505 505 ARG ARG B . n B 1 128 LEU 128 506 506 LEU LEU B . n B 1 129 LEU 129 507 507 LEU LEU B . n B 1 130 SER 130 508 508 SER SER B . n B 1 131 ASP 131 509 509 ASP ASP B . n B 1 132 ASP 132 510 510 ASP ASP B . n B 1 133 ARG 133 511 511 ARG ARG B . n B 1 134 THR 134 512 512 THR THR B . n B 1 135 GLU 135 513 513 GLU GLU B . n B 1 136 VAL 136 514 514 VAL VAL B . n B 1 137 PRO 137 515 515 PRO PRO B . n B 1 138 GLN 138 516 516 GLN GLN B . n B 1 139 LEU 139 517 517 LEU LEU B . n B 1 140 VAL 140 518 518 VAL VAL B . n B 1 141 ASN 141 519 519 ASN ASN B . n B 1 142 ALA 142 520 520 ALA ALA B . n B 1 143 ASN 143 521 521 ASN ASN B . n B 1 144 GLN 144 522 522 GLN GLN B . n B 1 145 TYR 145 523 523 TYR TYR B . n B 1 146 SER 146 524 524 SER SER B . n B 1 147 PRO 147 525 525 PRO PRO B . n B 1 148 CYS 148 526 526 CYS CYS B . n B 1 149 VAL 149 527 527 VAL VAL B . n B 1 150 SER 150 528 528 SER SER B . n B 1 151 ILE 151 529 529 ILE ILE B . n B 1 152 VAL 152 530 530 VAL VAL B . n B 1 153 PRO 153 531 531 PRO PRO B . n B 1 154 SER 154 532 532 SER SER B . n B 1 155 THR 155 533 533 THR THR B . n B 1 156 VAL 156 534 534 VAL VAL B . n B 1 157 TRP 157 535 535 TRP TRP B . n B 1 158 GLU 158 536 536 GLU GLU B . n B 1 159 ASP 159 537 537 ASP ASP B . n B 1 160 GLY 160 538 538 GLY GLY B . n B 1 161 ASP 161 539 539 ASP ASP B . n B 1 162 TYR 162 540 540 TYR TYR B . n B 1 163 TYR 163 541 541 TYR TYR B . n B 1 164 ARG 164 542 542 ARG ARG B . n B 1 165 LYS 165 543 543 LYS LYS B . n B 1 166 GLN 166 544 544 GLN GLN B . n B 1 167 LEU 167 545 545 LEU LEU B . n B 1 168 SER 168 546 546 SER SER B . n B 1 169 PRO 169 547 547 PRO PRO B . n B 1 170 LEU 170 548 548 LEU LEU B . n B 1 171 GLU 171 549 549 GLU GLU B . n B 1 172 GLY 172 550 550 GLY GLY B . n B 1 173 GLY 173 551 551 GLY GLY B . n B 1 174 GLY 174 552 552 GLY GLY B . n B 1 175 TRP 175 553 553 TRP TRP B . n B 1 176 LEU 176 554 554 LEU LEU B . n B 1 177 VAL 177 555 555 VAL VAL B . n B 1 178 ALA 178 556 556 ALA ALA B . n B 1 179 SER 179 557 557 SER SER B . n B 1 180 GLY 180 558 558 GLY GLY B . n B 1 181 SER 181 559 559 SER SER B . n B 1 182 THR 182 560 560 THR THR B . n B 1 183 VAL 183 561 561 VAL VAL B . n B 1 184 ALA 184 562 562 ALA ALA B . n B 1 185 MET 185 563 563 MET MET B . n B 1 186 THR 186 564 564 THR THR B . n B 1 187 GLU 187 565 565 GLU GLU B . n B 1 188 GLN 188 566 566 GLN GLN B . n B 1 189 LEU 189 567 567 LEU LEU B . n B 1 190 GLN 190 568 568 GLN GLN B . n B 1 191 MET 191 569 569 MET MET B . n B 1 192 GLY 192 570 570 GLY GLY B . n B 1 193 PHE 193 571 571 PHE PHE B . n B 1 194 GLY 194 572 572 GLY GLY B . n B 1 195 ILE 195 573 573 ILE ILE B . n B 1 196 THR 196 574 574 THR THR B . n B 1 197 VAL 197 575 575 VAL VAL B . n B 1 198 GLN 198 576 576 GLN GLN B . n B 1 199 TYR 199 577 577 TYR TYR B . n B 1 200 GLY 200 578 578 GLY GLY B . n B 1 201 THR 201 579 579 THR THR B . n B 1 202 ASP 202 580 580 ASP ASP B . n B 1 203 THR 203 581 581 THR THR B . n B 1 204 ASN 204 582 582 ASN ASN B . n B 1 205 SER 205 583 583 SER SER B . n B 1 206 VAL 206 584 584 VAL VAL B . n B 1 207 CYS 207 585 585 CYS CYS B . n B 1 208 PRO 208 586 586 PRO PRO B . n B 1 209 LYS 209 587 587 LYS LYS B . n B 1 210 LEU 210 588 588 LEU LEU B . n B 1 211 HIS 211 589 ? ? ? B . n B 1 212 HIS 212 590 ? ? ? B . n B 1 213 HIS 213 591 ? ? ? B . n B 1 214 HIS 214 592 ? ? ? B . n B 1 215 HIS 215 593 ? ? ? B . n B 1 216 HIS 216 594 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 EDO 1 1000 1000 EDO EDO A . D 3 NAG 1 1001 1001 NAG NAG A . E 3 NAG 2 1002 1002 NAG NAG A . F 3 NAG 1 1003 1003 NAG NAG A . G 3 NAG 2 1004 1004 NAG NAG A . H 2 EDO 1 1000 1000 EDO EDO B . I 3 NAG 1 1001 1001 NAG NAG B . J 3 NAG 2 1002 1002 NAG NAG B . K 3 NAG 1 1003 1003 NAG NAG B . L 3 NAG 2 1004 1004 NAG NAG B . M 4 HOH 1 1101 3 HOH HOH A . M 4 HOH 2 1102 4 HOH HOH A . M 4 HOH 3 1103 5 HOH HOH A . M 4 HOH 4 1104 6 HOH HOH A . M 4 HOH 5 1105 7 HOH HOH A . M 4 HOH 6 1106 8 HOH HOH A . M 4 HOH 7 1107 9 HOH HOH A . M 4 HOH 8 1108 10 HOH HOH A . M 4 HOH 9 1109 11 HOH HOH A . M 4 HOH 10 1110 12 HOH HOH A . M 4 HOH 11 1111 13 HOH HOH A . M 4 HOH 12 1112 14 HOH HOH A . M 4 HOH 13 1113 20 HOH HOH A . M 4 HOH 14 1114 21 HOH HOH A . M 4 HOH 15 1115 23 HOH HOH A . M 4 HOH 16 1116 24 HOH HOH A . M 4 HOH 17 1117 25 HOH HOH A . M 4 HOH 18 1118 26 HOH HOH A . M 4 HOH 19 1119 30 HOH HOH A . M 4 HOH 20 1120 31 HOH HOH A . M 4 HOH 21 1121 32 HOH HOH A . M 4 HOH 22 1122 34 HOH HOH A . M 4 HOH 23 1123 35 HOH HOH A . M 4 HOH 24 1124 38 HOH HOH A . M 4 HOH 25 1125 41 HOH HOH A . M 4 HOH 26 1126 42 HOH HOH A . M 4 HOH 27 1127 43 HOH HOH A . M 4 HOH 28 1128 45 HOH HOH A . M 4 HOH 29 1129 47 HOH HOH A . M 4 HOH 30 1130 48 HOH HOH A . M 4 HOH 31 1131 50 HOH HOH A . M 4 HOH 32 1132 51 HOH HOH A . M 4 HOH 33 1133 52 HOH HOH A . M 4 HOH 34 1134 53 HOH HOH A . M 4 HOH 35 1135 55 HOH HOH A . M 4 HOH 36 1136 56 HOH HOH A . M 4 HOH 37 1137 57 HOH HOH A . M 4 HOH 38 1138 58 HOH HOH A . M 4 HOH 39 1139 59 HOH HOH A . M 4 HOH 40 1140 60 HOH HOH A . M 4 HOH 41 1141 61 HOH HOH A . M 4 HOH 42 1142 64 HOH HOH A . M 4 HOH 43 1143 68 HOH HOH A . M 4 HOH 44 1144 72 HOH HOH A . M 4 HOH 45 1145 73 HOH HOH A . M 4 HOH 46 1146 74 HOH HOH A . M 4 HOH 47 1147 75 HOH HOH A . M 4 HOH 48 1148 76 HOH HOH A . M 4 HOH 49 1149 78 HOH HOH A . M 4 HOH 50 1150 81 HOH HOH A . M 4 HOH 51 1151 82 HOH HOH A . M 4 HOH 52 1152 83 HOH HOH A . M 4 HOH 53 1153 84 HOH HOH A . M 4 HOH 54 1154 85 HOH HOH A . M 4 HOH 55 1155 90 HOH HOH A . M 4 HOH 56 1156 91 HOH HOH A . M 4 HOH 57 1157 93 HOH HOH A . M 4 HOH 58 1158 95 HOH HOH A . M 4 HOH 59 1159 97 HOH HOH A . M 4 HOH 60 1160 98 HOH HOH A . M 4 HOH 61 1161 99 HOH HOH A . M 4 HOH 62 1162 100 HOH HOH A . M 4 HOH 63 1163 103 HOH HOH A . M 4 HOH 64 1164 104 HOH HOH A . M 4 HOH 65 1165 105 HOH HOH A . M 4 HOH 66 1166 106 HOH HOH A . M 4 HOH 67 1167 109 HOH HOH A . M 4 HOH 68 1168 110 HOH HOH A . M 4 HOH 69 1169 112 HOH HOH A . M 4 HOH 70 1170 113 HOH HOH A . M 4 HOH 71 1171 114 HOH HOH A . M 4 HOH 72 1172 115 HOH HOH A . M 4 HOH 73 1173 116 HOH HOH A . M 4 HOH 74 1174 117 HOH HOH A . M 4 HOH 75 1175 118 HOH HOH A . M 4 HOH 76 1176 119 HOH HOH A . M 4 HOH 77 1177 120 HOH HOH A . M 4 HOH 78 1178 121 HOH HOH A . M 4 HOH 79 1179 122 HOH HOH A . M 4 HOH 80 1180 124 HOH HOH A . M 4 HOH 81 1181 126 HOH HOH A . M 4 HOH 82 1182 128 HOH HOH A . M 4 HOH 83 1183 132 HOH HOH A . M 4 HOH 84 1184 133 HOH HOH A . M 4 HOH 85 1185 134 HOH HOH A . M 4 HOH 86 1186 135 HOH HOH A . M 4 HOH 87 1187 138 HOH HOH A . M 4 HOH 88 1188 140 HOH HOH A . M 4 HOH 89 1189 141 HOH HOH A . M 4 HOH 90 1190 143 HOH HOH A . M 4 HOH 91 1191 145 HOH HOH A . M 4 HOH 92 1192 146 HOH HOH A . M 4 HOH 93 1193 147 HOH HOH A . M 4 HOH 94 1194 148 HOH HOH A . M 4 HOH 95 1195 149 HOH HOH A . M 4 HOH 96 1196 150 HOH HOH A . M 4 HOH 97 1197 151 HOH HOH A . M 4 HOH 98 1198 152 HOH HOH A . M 4 HOH 99 1199 153 HOH HOH A . M 4 HOH 100 1200 156 HOH HOH A . M 4 HOH 101 1201 157 HOH HOH A . M 4 HOH 102 1202 158 HOH HOH A . M 4 HOH 103 1203 161 HOH HOH A . M 4 HOH 104 1204 164 HOH HOH A . M 4 HOH 105 1205 165 HOH HOH A . M 4 HOH 106 1206 167 HOH HOH A . M 4 HOH 107 1207 168 HOH HOH A . M 4 HOH 108 1208 169 HOH HOH A . M 4 HOH 109 1209 170 HOH HOH A . M 4 HOH 110 1210 171 HOH HOH A . M 4 HOH 111 1211 172 HOH HOH A . M 4 HOH 112 1212 173 HOH HOH A . M 4 HOH 113 1213 174 HOH HOH A . M 4 HOH 114 1214 175 HOH HOH A . M 4 HOH 115 1215 176 HOH HOH A . M 4 HOH 116 1216 181 HOH HOH A . M 4 HOH 117 1217 189 HOH HOH A . M 4 HOH 118 1218 190 HOH HOH A . M 4 HOH 119 1219 191 HOH HOH A . M 4 HOH 120 1220 192 HOH HOH A . M 4 HOH 121 1221 193 HOH HOH A . M 4 HOH 122 1222 194 HOH HOH A . M 4 HOH 123 1223 195 HOH HOH A . M 4 HOH 124 1224 196 HOH HOH A . M 4 HOH 125 1225 197 HOH HOH A . M 4 HOH 126 1226 198 HOH HOH A . M 4 HOH 127 1227 199 HOH HOH A . M 4 HOH 128 1228 200 HOH HOH A . M 4 HOH 129 1229 201 HOH HOH A . M 4 HOH 130 1230 202 HOH HOH A . M 4 HOH 131 1231 203 HOH HOH A . M 4 HOH 132 1232 204 HOH HOH A . M 4 HOH 133 1233 205 HOH HOH A . M 4 HOH 134 1234 209 HOH HOH A . M 4 HOH 135 1235 210 HOH HOH A . M 4 HOH 136 1236 211 HOH HOH A . M 4 HOH 137 1237 212 HOH HOH A . M 4 HOH 138 1238 213 HOH HOH A . M 4 HOH 139 1239 217 HOH HOH A . M 4 HOH 140 1240 218 HOH HOH A . M 4 HOH 141 1241 222 HOH HOH A . M 4 HOH 142 1242 223 HOH HOH A . M 4 HOH 143 1243 224 HOH HOH A . M 4 HOH 144 1244 225 HOH HOH A . M 4 HOH 145 1245 226 HOH HOH A . M 4 HOH 146 1246 227 HOH HOH A . M 4 HOH 147 1247 229 HOH HOH A . M 4 HOH 148 1248 230 HOH HOH A . M 4 HOH 149 1249 231 HOH HOH A . M 4 HOH 150 1250 233 HOH HOH A . M 4 HOH 151 1251 235 HOH HOH A . M 4 HOH 152 1252 236 HOH HOH A . M 4 HOH 153 1253 240 HOH HOH A . M 4 HOH 154 1254 242 HOH HOH A . M 4 HOH 155 1255 249 HOH HOH A . M 4 HOH 156 1256 250 HOH HOH A . M 4 HOH 157 1257 255 HOH HOH A . M 4 HOH 158 1258 256 HOH HOH A . M 4 HOH 159 1259 257 HOH HOH A . M 4 HOH 160 1260 262 HOH HOH A . M 4 HOH 161 1261 263 HOH HOH A . M 4 HOH 162 1262 264 HOH HOH A . M 4 HOH 163 1263 265 HOH HOH A . M 4 HOH 164 1264 270 HOH HOH A . M 4 HOH 165 1265 272 HOH HOH A . M 4 HOH 166 1266 273 HOH HOH A . M 4 HOH 167 1267 274 HOH HOH A . M 4 HOH 168 1268 278 HOH HOH A . M 4 HOH 169 1269 280 HOH HOH A . M 4 HOH 170 1270 287 HOH HOH A . M 4 HOH 171 1271 301 HOH HOH A . M 4 HOH 172 1272 302 HOH HOH A . M 4 HOH 173 1273 303 HOH HOH A . M 4 HOH 174 1274 304 HOH HOH A . M 4 HOH 175 1275 305 HOH HOH A . M 4 HOH 176 1276 306 HOH HOH A . M 4 HOH 177 1277 307 HOH HOH A . M 4 HOH 178 1278 308 HOH HOH A . M 4 HOH 179 1279 309 HOH HOH A . M 4 HOH 180 1280 310 HOH HOH A . M 4 HOH 181 1281 311 HOH HOH A . M 4 HOH 182 1282 314 HOH HOH A . M 4 HOH 183 1283 315 HOH HOH A . M 4 HOH 184 1284 316 HOH HOH A . M 4 HOH 185 1285 317 HOH HOH A . M 4 HOH 186 1286 319 HOH HOH A . M 4 HOH 187 1287 320 HOH HOH A . N 4 HOH 1 1101 1 HOH HOH B . N 4 HOH 2 1102 2 HOH HOH B . N 4 HOH 3 1103 15 HOH HOH B . N 4 HOH 4 1104 16 HOH HOH B . N 4 HOH 5 1105 17 HOH HOH B . N 4 HOH 6 1106 18 HOH HOH B . N 4 HOH 7 1107 19 HOH HOH B . N 4 HOH 8 1108 22 HOH HOH B . N 4 HOH 9 1109 27 HOH HOH B . N 4 HOH 10 1110 28 HOH HOH B . N 4 HOH 11 1111 29 HOH HOH B . N 4 HOH 12 1112 33 HOH HOH B . N 4 HOH 13 1113 36 HOH HOH B . N 4 HOH 14 1114 37 HOH HOH B . N 4 HOH 15 1115 39 HOH HOH B . N 4 HOH 16 1116 40 HOH HOH B . N 4 HOH 17 1117 44 HOH HOH B . N 4 HOH 18 1118 46 HOH HOH B . N 4 HOH 19 1119 49 HOH HOH B . N 4 HOH 20 1120 54 HOH HOH B . N 4 HOH 21 1121 62 HOH HOH B . N 4 HOH 22 1122 63 HOH HOH B . N 4 HOH 23 1123 65 HOH HOH B . N 4 HOH 24 1124 66 HOH HOH B . N 4 HOH 25 1125 67 HOH HOH B . N 4 HOH 26 1126 69 HOH HOH B . N 4 HOH 27 1127 70 HOH HOH B . N 4 HOH 28 1128 71 HOH HOH B . N 4 HOH 29 1129 77 HOH HOH B . N 4 HOH 30 1130 79 HOH HOH B . N 4 HOH 31 1131 80 HOH HOH B . N 4 HOH 32 1132 86 HOH HOH B . N 4 HOH 33 1133 87 HOH HOH B . N 4 HOH 34 1134 88 HOH HOH B . N 4 HOH 35 1135 89 HOH HOH B . N 4 HOH 36 1136 92 HOH HOH B . N 4 HOH 37 1137 94 HOH HOH B . N 4 HOH 38 1138 96 HOH HOH B . N 4 HOH 39 1139 101 HOH HOH B . N 4 HOH 40 1140 102 HOH HOH B . N 4 HOH 41 1141 107 HOH HOH B . N 4 HOH 42 1142 108 HOH HOH B . N 4 HOH 43 1143 111 HOH HOH B . N 4 HOH 44 1144 123 HOH HOH B . N 4 HOH 45 1145 125 HOH HOH B . N 4 HOH 46 1146 127 HOH HOH B . N 4 HOH 47 1147 129 HOH HOH B . N 4 HOH 48 1148 130 HOH HOH B . N 4 HOH 49 1149 131 HOH HOH B . N 4 HOH 50 1150 136 HOH HOH B . N 4 HOH 51 1151 137 HOH HOH B . N 4 HOH 52 1152 139 HOH HOH B . N 4 HOH 53 1153 142 HOH HOH B . N 4 HOH 54 1154 144 HOH HOH B . N 4 HOH 55 1155 154 HOH HOH B . N 4 HOH 56 1156 155 HOH HOH B . N 4 HOH 57 1157 159 HOH HOH B . N 4 HOH 58 1158 160 HOH HOH B . N 4 HOH 59 1159 162 HOH HOH B . N 4 HOH 60 1160 163 HOH HOH B . N 4 HOH 61 1161 166 HOH HOH B . N 4 HOH 62 1162 177 HOH HOH B . N 4 HOH 63 1163 178 HOH HOH B . N 4 HOH 64 1164 179 HOH HOH B . N 4 HOH 65 1165 180 HOH HOH B . N 4 HOH 66 1166 182 HOH HOH B . N 4 HOH 67 1167 183 HOH HOH B . N 4 HOH 68 1168 184 HOH HOH B . N 4 HOH 69 1169 185 HOH HOH B . N 4 HOH 70 1170 186 HOH HOH B . N 4 HOH 71 1171 187 HOH HOH B . N 4 HOH 72 1172 188 HOH HOH B . N 4 HOH 73 1173 206 HOH HOH B . N 4 HOH 74 1174 207 HOH HOH B . N 4 HOH 75 1175 208 HOH HOH B . N 4 HOH 76 1176 214 HOH HOH B . N 4 HOH 77 1177 215 HOH HOH B . N 4 HOH 78 1178 216 HOH HOH B . N 4 HOH 79 1179 219 HOH HOH B . N 4 HOH 80 1180 220 HOH HOH B . N 4 HOH 81 1181 221 HOH HOH B . N 4 HOH 82 1182 228 HOH HOH B . N 4 HOH 83 1183 232 HOH HOH B . N 4 HOH 84 1184 234 HOH HOH B . N 4 HOH 85 1185 237 HOH HOH B . N 4 HOH 86 1186 238 HOH HOH B . N 4 HOH 87 1187 239 HOH HOH B . N 4 HOH 88 1188 241 HOH HOH B . N 4 HOH 89 1189 243 HOH HOH B . N 4 HOH 90 1190 244 HOH HOH B . N 4 HOH 91 1191 245 HOH HOH B . N 4 HOH 92 1192 246 HOH HOH B . N 4 HOH 93 1193 247 HOH HOH B . N 4 HOH 94 1194 248 HOH HOH B . N 4 HOH 95 1195 251 HOH HOH B . N 4 HOH 96 1196 252 HOH HOH B . N 4 HOH 97 1197 253 HOH HOH B . N 4 HOH 98 1198 254 HOH HOH B . N 4 HOH 99 1199 258 HOH HOH B . N 4 HOH 100 1200 259 HOH HOH B . N 4 HOH 101 1201 260 HOH HOH B . N 4 HOH 102 1202 261 HOH HOH B . N 4 HOH 103 1203 266 HOH HOH B . N 4 HOH 104 1204 267 HOH HOH B . N 4 HOH 105 1205 268 HOH HOH B . N 4 HOH 106 1206 269 HOH HOH B . N 4 HOH 107 1207 271 HOH HOH B . N 4 HOH 108 1208 275 HOH HOH B . N 4 HOH 109 1209 276 HOH HOH B . N 4 HOH 110 1210 277 HOH HOH B . N 4 HOH 111 1211 279 HOH HOH B . N 4 HOH 112 1212 281 HOH HOH B . N 4 HOH 113 1213 282 HOH HOH B . N 4 HOH 114 1214 283 HOH HOH B . N 4 HOH 115 1215 284 HOH HOH B . N 4 HOH 116 1216 285 HOH HOH B . N 4 HOH 117 1217 286 HOH HOH B . N 4 HOH 118 1218 288 HOH HOH B . N 4 HOH 119 1219 289 HOH HOH B . N 4 HOH 120 1220 290 HOH HOH B . N 4 HOH 121 1221 291 HOH HOH B . N 4 HOH 122 1222 292 HOH HOH B . N 4 HOH 123 1223 293 HOH HOH B . N 4 HOH 124 1224 294 HOH HOH B . N 4 HOH 125 1225 295 HOH HOH B . N 4 HOH 126 1226 296 HOH HOH B . N 4 HOH 127 1227 297 HOH HOH B . N 4 HOH 128 1228 298 HOH HOH B . N 4 HOH 129 1229 299 HOH HOH B . N 4 HOH 130 1230 300 HOH HOH B . N 4 HOH 131 1231 312 HOH HOH B . N 4 HOH 132 1232 313 HOH HOH B . N 4 HOH 133 1233 318 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 109 A ASN 487 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 109 B ASN 487 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 32 A ASN 410 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 32 B ASN 410 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 software_defined_assembly PISA monomeric 1 2 software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,M 2 1 B,H,I,J,K,L,N # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-07-31 2 'Structure model' 1 1 2013-08-14 3 'Structure model' 1 2 2013-09-25 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 26.6679 _pdbx_refine_tls.origin_y 62.0740 _pdbx_refine_tls.origin_z 86.3257 _pdbx_refine_tls.T[1][1] 0.0388 _pdbx_refine_tls.T[2][2] 0.0057 _pdbx_refine_tls.T[3][3] 0.0371 _pdbx_refine_tls.T[1][2] 0.0111 _pdbx_refine_tls.T[1][3] -0.0043 _pdbx_refine_tls.T[2][3] 0.0081 _pdbx_refine_tls.L[1][1] 0.0520 _pdbx_refine_tls.L[2][2] 0.3619 _pdbx_refine_tls.L[3][3] 0.4505 _pdbx_refine_tls.L[1][2] -0.1332 _pdbx_refine_tls.L[1][3] 0.1517 _pdbx_refine_tls.L[2][3] -0.4013 _pdbx_refine_tls.S[1][1] -0.0021 _pdbx_refine_tls.S[1][2] 0.0027 _pdbx_refine_tls.S[1][3] 0.0014 _pdbx_refine_tls.S[2][1] 0.0333 _pdbx_refine_tls.S[2][2] 0.0031 _pdbx_refine_tls.S[2][3] 0.0004 _pdbx_refine_tls.S[3][1] -0.0230 _pdbx_refine_tls.S[3][2] 0.0013 _pdbx_refine_tls.S[3][3] -0.0010 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 380 ? ? A 588 ? ? ? ? 'X-RAY DIFFRACTION' 2 1 B 379 ? ? B 588 ? ? ? ? # _software.name REFMAC _software.classification refinement _software.version 5.7.0029 _software.citation_id ? _software.pdbx_ordinal 1 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OD1 _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 ASP _pdbx_validate_close_contact.auth_seq_id_1 509 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 N _pdbx_validate_close_contact.auth_asym_id_2 B _pdbx_validate_close_contact.auth_comp_id_2 ARG _pdbx_validate_close_contact.auth_seq_id_2 511 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.90 # 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 ALA A 461 ? ? -96.82 40.32 2 1 ASP A 510 ? ? 58.93 15.94 3 1 ARG A 511 ? ? -122.68 -51.74 4 1 THR A 579 ? ? -95.43 -75.09 5 1 SER B 459 ? ? 51.54 -130.81 6 1 ASP B 510 ? ? 82.92 14.83 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 ASP B 510 ? ? ARG B 511 ? ? 149.59 2 1 ASP B 580 ? ? THR B 581 ? ? -146.88 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 379 ? A GLU 1 2 1 Y 1 A HIS 589 ? A HIS 211 3 1 Y 1 A HIS 590 ? A HIS 212 4 1 Y 1 A HIS 591 ? A HIS 213 5 1 Y 1 A HIS 592 ? A HIS 214 6 1 Y 1 A HIS 593 ? A HIS 215 7 1 Y 1 A HIS 594 ? A HIS 216 8 1 Y 1 B HIS 589 ? B HIS 211 9 1 Y 1 B HIS 590 ? B HIS 212 10 1 Y 1 B HIS 591 ? B HIS 213 11 1 Y 1 B HIS 592 ? B HIS 214 12 1 Y 1 B HIS 593 ? B HIS 215 13 1 Y 1 B HIS 594 ? B HIS 216 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 1,2-ETHANEDIOL EDO 3 N-ACETYL-D-GLUCOSAMINE NAG 4 water HOH #