data_3MUH # _entry.id 3MUH # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MUH RCSB RCSB059008 WWPDB D_1000059008 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3MUG _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3MUH _pdbx_database_status.recvd_initial_deposition_date 2010-05-03 _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.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Pejchal, R.' 1 'Walker, L.M.' 2 'Burton, D.R.' 3 'Wilson, I.A.' 4 # _citation.id primary _citation.title 'Structure and function of broadly reactive antibody PG16 reveal an H3 subdomain that mediates potent neutralization of HIV-1.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 107 _citation.page_first 11483 _citation.page_last 11488 _citation.year 2010 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20534513 _citation.pdbx_database_id_DOI 10.1073/pnas.1004600107 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Pejchal, R.' 1 primary 'Walker, L.M.' 2 primary 'Stanfield, R.L.' 3 primary 'Phogat, S.K.' 4 primary 'Koff, W.C.' 5 primary 'Poignard, P.' 6 primary 'Burton, D.R.' 7 primary 'Wilson, I.A.' 8 # _cell.entry_id 3MUH _cell.length_a 87.430 _cell.length_b 87.430 _cell.length_c 198.460 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _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 3MUH _symmetry.space_group_name_H-M 'P 62 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 180 _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 'Antibody PG9 light chain' 22823.229 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 water nat water 18.015 2 ? ? ? ? # _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 ;QSALTQPASVSGSPGQSITISCNGTSNDVGGYESVSWYQQHPGKAPKVVIYDVSKRPSGVSNRFSGSKSGNTASLTISGL QAEDEGDYYCKSLTSTRRRVFGTGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; _entity_poly.pdbx_seq_one_letter_code_can ;QSALTQPASVSGSPGQSITISCNGTSNDVGGYESVSWYQQHPGKAPKVVIYDVSKRPSGVSNRFSGSKSGNTASLTISGL QAEDEGDYYCKSLTSTRRRVFGTGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; _entity_poly.pdbx_strand_id L _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 GLN n 1 2 SER n 1 3 ALA n 1 4 LEU n 1 5 THR n 1 6 GLN n 1 7 PRO n 1 8 ALA n 1 9 SER n 1 10 VAL n 1 11 SER n 1 12 GLY n 1 13 SER n 1 14 PRO n 1 15 GLY n 1 16 GLN n 1 17 SER n 1 18 ILE n 1 19 THR n 1 20 ILE n 1 21 SER n 1 22 CYS n 1 23 ASN n 1 24 GLY n 1 25 THR n 1 26 SER n 1 27 ASN n 1 28 ASP n 1 29 VAL n 1 30 GLY n 1 31 GLY n 1 32 TYR n 1 33 GLU n 1 34 SER n 1 35 VAL n 1 36 SER n 1 37 TRP n 1 38 TYR n 1 39 GLN n 1 40 GLN n 1 41 HIS n 1 42 PRO n 1 43 GLY n 1 44 LYS n 1 45 ALA n 1 46 PRO n 1 47 LYS n 1 48 VAL n 1 49 VAL n 1 50 ILE n 1 51 TYR n 1 52 ASP n 1 53 VAL n 1 54 SER n 1 55 LYS n 1 56 ARG n 1 57 PRO n 1 58 SER n 1 59 GLY n 1 60 VAL n 1 61 SER n 1 62 ASN n 1 63 ARG n 1 64 PHE n 1 65 SER n 1 66 GLY n 1 67 SER n 1 68 LYS n 1 69 SER n 1 70 GLY n 1 71 ASN n 1 72 THR n 1 73 ALA n 1 74 SER n 1 75 LEU n 1 76 THR n 1 77 ILE n 1 78 SER n 1 79 GLY n 1 80 LEU n 1 81 GLN n 1 82 ALA n 1 83 GLU n 1 84 ASP n 1 85 GLU n 1 86 GLY n 1 87 ASP n 1 88 TYR n 1 89 TYR n 1 90 CYS n 1 91 LYS n 1 92 SER n 1 93 LEU n 1 94 THR n 1 95 SER n 1 96 THR n 1 97 ARG n 1 98 ARG n 1 99 ARG n 1 100 VAL n 1 101 PHE n 1 102 GLY n 1 103 THR n 1 104 GLY n 1 105 THR n 1 106 LYS n 1 107 LEU n 1 108 THR n 1 109 VAL n 1 110 LEU n 1 111 GLY n 1 112 GLN n 1 113 PRO n 1 114 LYS n 1 115 ALA n 1 116 ALA n 1 117 PRO n 1 118 SER n 1 119 VAL n 1 120 THR n 1 121 LEU n 1 122 PHE n 1 123 PRO n 1 124 PRO n 1 125 SER n 1 126 SER n 1 127 GLU n 1 128 GLU n 1 129 LEU n 1 130 GLN n 1 131 ALA n 1 132 ASN n 1 133 LYS n 1 134 ALA n 1 135 THR n 1 136 LEU n 1 137 VAL n 1 138 CYS n 1 139 LEU n 1 140 ILE n 1 141 SER n 1 142 ASP n 1 143 PHE n 1 144 TYR n 1 145 PRO n 1 146 GLY n 1 147 ALA n 1 148 VAL n 1 149 THR n 1 150 VAL n 1 151 ALA n 1 152 TRP n 1 153 LYS n 1 154 ALA n 1 155 ASP n 1 156 SER n 1 157 SER n 1 158 PRO n 1 159 VAL n 1 160 LYS n 1 161 ALA n 1 162 GLY n 1 163 VAL n 1 164 GLU n 1 165 THR n 1 166 THR n 1 167 THR n 1 168 PRO n 1 169 SER n 1 170 LYS n 1 171 GLN n 1 172 SER n 1 173 ASN n 1 174 ASN n 1 175 LYS n 1 176 TYR n 1 177 ALA n 1 178 ALA n 1 179 SER n 1 180 SER n 1 181 TYR n 1 182 LEU n 1 183 SER n 1 184 LEU n 1 185 THR n 1 186 PRO n 1 187 GLU n 1 188 GLN n 1 189 TRP n 1 190 LYS n 1 191 SER n 1 192 HIS n 1 193 LYS n 1 194 SER n 1 195 TYR n 1 196 SER n 1 197 CYS n 1 198 GLN n 1 199 VAL n 1 200 THR n 1 201 HIS n 1 202 GLU n 1 203 GLY n 1 204 SER n 1 205 THR n 1 206 VAL n 1 207 GLU n 1 208 LYS n 1 209 THR n 1 210 VAL n 1 211 ALA n 1 212 PRO n 1 213 THR n 1 214 GLU n 1 215 CYS n 1 216 SER 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 ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'HEK 293S GnTI -/-' _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 PDB _struct_ref.db_code 3MUH _struct_ref.pdbx_db_accession 3MUH _struct_ref.entity_id 1 _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_seq_one_letter_code ;QSALTQPASVSGSPGQSITISCNGTSNDVGGYESVSWYQQHPGKAPKVVIYDVSKRPSGVSNRFSGSKSGNTASLTISGL QAEDEGDYYCKSLTSTRRRVFGTGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3MUH _struct_ref_seq.pdbx_strand_id L _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 216 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 3MUH _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 215 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 215 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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 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 3MUH _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.80 _exptl_crystal.density_percent_sol 74.36 _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 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_details '40% ethanol, 0.05M magnesium chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2009-11-13 _diffrn_detector.details mirrors # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'single crystal' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL11-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL11-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.entry_id 3MUH _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 2.99 _reflns.number_obs 9135 _reflns.number_all 9778 _reflns.percent_possible_obs 93.4 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.094 _reflns.pdbx_netI_over_sigmaI 21.8 _reflns.B_iso_Wilson_estimate 99.14 _reflns.pdbx_redundancy 13.3 _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_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 2.99 _reflns_shell.d_res_low 3.06 _reflns_shell.percent_possible_all 96.6 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.690 _reflns_shell.meanI_over_sigI_obs 3.68 _reflns_shell.pdbx_redundancy 11.2 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 672 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 3MUH _refine.ls_number_reflns_obs 8978 _refine.ls_number_reflns_all 8978 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 28.00 _refine.ls_d_res_high 3.00 _refine.ls_percent_reflns_obs 93.4 _refine.ls_R_factor_obs 0.2480 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2454 _refine.ls_R_factor_R_free 0.2773 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 8.15 _refine.ls_number_reflns_R_free 732 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9001 _refine.correlation_coeff_Fo_to_Fc_free 0.8764 _refine.B_iso_mean 81.95 _refine.aniso_B[1][1] 0.6204 _refine.aniso_B[2][2] 0.6204 _refine.aniso_B[3][3] -1.2408 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 1LGV' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model Isotropic _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _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_analyze.entry_id 3MUH _refine_analyze.Luzzati_coordinate_error_obs 0.750 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1563 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 2 _refine_hist.number_atoms_total 1593 _refine_hist.d_res_high 3.00 _refine_hist.d_res_low 28.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function t_bond_d 0.010 ? 2.00 1630 'X-RAY DIFFRACTION' ? t_angle_deg 1.34 ? 2.00 2227 'X-RAY DIFFRACTION' ? t_dihedral_angle_d ? ? 2.00 520 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.00 33 'X-RAY DIFFRACTION' ? t_gen_planes ? ? 5.00 241 'X-RAY DIFFRACTION' ? t_it ? ? 20.00 1630 'X-RAY DIFFRACTION' ? t_omega_torsion 3.15 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 21.77 ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.00 230 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.00 1710 'X-RAY DIFFRACTION' ? # _struct.entry_id 3MUH _struct.title 'Crystal structure of PG9 light chain' _struct.pdbx_descriptor 'Antibody PG9 light chain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MUH _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'PG9, HIV, immune system' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? # _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 GLN A 81 ? GLU A 85 ? GLN L 79 GLU L 83 5 ? 5 HELX_P HELX_P2 2 SER A 125 ? ALA A 131 ? SER L 121 ALA L 127 1 ? 7 HELX_P HELX_P3 3 THR A 185 ? HIS A 192 ? THR L 182 HIS L 189 1 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 90 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.036 ? disulf2 disulf ? ? A CYS 138 SG ? ? ? 1_555 A CYS 197 SG ? ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.043 ? covale1 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? L NAG 500 L NAG 501 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale ? ? A ASN 23 ND2 ? ? ? 1_555 B NAG . C1 ? ? L ASN 24 L NAG 500 1_555 ? ? ? ? ? ? ? 1.447 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id TYR _struct_mon_prot_cis.label_seq_id 144 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id TYR _struct_mon_prot_cis.auth_seq_id 140 _struct_mon_prot_cis.auth_asym_id L _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 145 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 141 _struct_mon_prot_cis.pdbx_auth_asym_id_2 L _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -2.13 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 4 ? C ? 3 ? D ? 4 ? E ? 4 ? 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 ? parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER A 9 ? GLY A 12 ? SER L 9 GLY L 13 A 2 THR A 105 ? VAL A 109 ? THR L 102 VAL L 106 A 3 GLY A 86 ? LEU A 93 ? GLY L 84 LEU L 91 A 4 SER A 36 ? GLN A 40 ? SER L 34 GLN L 38 A 5 LYS A 47 ? ILE A 50 ? LYS L 45 ILE L 48 B 1 SER A 9 ? GLY A 12 ? SER L 9 GLY L 13 B 2 THR A 105 ? VAL A 109 ? THR L 102 VAL L 106 B 3 GLY A 86 ? LEU A 93 ? GLY L 84 LEU L 91 B 4 ARG A 99 ? PHE A 101 ? ARG L 96 PHE L 98 C 1 ILE A 18 ? ASN A 23 ? ILE L 19 ASN L 24 C 2 THR A 72 ? ILE A 77 ? THR L 70 ILE L 75 C 3 PHE A 64 ? SER A 69 ? PHE L 62 SER L 67 D 1 SER A 118 ? PHE A 122 ? SER L 114 PHE L 118 D 2 ALA A 134 ? PHE A 143 ? ALA L 130 PHE L 139 D 3 TYR A 176 ? LEU A 184 ? TYR L 173 LEU L 181 D 4 VAL A 163 ? THR A 165 ? VAL L 159 THR L 161 E 1 SER A 118 ? PHE A 122 ? SER L 114 PHE L 118 E 2 ALA A 134 ? PHE A 143 ? ALA L 130 PHE L 139 E 3 TYR A 176 ? LEU A 184 ? TYR L 173 LEU L 181 E 4 SER A 169 ? LYS A 170 ? SER L 165 LYS L 166 F 1 SER A 157 ? VAL A 159 ? SER L 153 VAL L 155 F 2 TRP A 152 ? ALA A 154 ? TRP L 148 ALA L 150 F 3 TYR A 195 ? HIS A 201 ? TYR L 192 HIS L 198 F 4 SER A 204 ? VAL A 210 ? SER L 203 VAL L 209 # 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 GLY A 12 ? N GLY L 13 O THR A 108 ? O THR L 105 A 2 3 O THR A 105 ? O THR L 102 N TYR A 88 ? N TYR L 86 A 3 4 O LYS A 91 ? O LYS L 89 N SER A 36 ? N SER L 34 A 4 5 N TRP A 37 ? N TRP L 35 O ILE A 50 ? O ILE L 48 B 1 2 N GLY A 12 ? N GLY L 13 O THR A 108 ? O THR L 105 B 2 3 O THR A 105 ? O THR L 102 N TYR A 88 ? N TYR L 86 B 3 4 N SER A 92 ? N SER L 90 O VAL A 100 ? O VAL L 97 C 1 2 N CYS A 22 ? N CYS L 23 O ALA A 73 ? O ALA L 71 C 2 3 O SER A 74 ? O SER L 72 N SER A 67 ? N SER L 65 D 1 2 N PHE A 122 ? N PHE L 118 O VAL A 137 ? O VAL L 133 D 2 3 N PHE A 143 ? N PHE L 139 O TYR A 176 ? O TYR L 173 D 3 4 O TYR A 181 ? O TYR L 178 N GLU A 164 ? N GLU L 160 E 1 2 N PHE A 122 ? N PHE L 118 O VAL A 137 ? O VAL L 133 E 2 3 N PHE A 143 ? N PHE L 139 O TYR A 176 ? O TYR L 173 E 3 4 O ALA A 177 ? O ALA L 174 N SER A 169 ? N SER L 165 F 1 2 O SER A 157 ? O SER L 153 N ALA A 154 ? N ALA L 150 F 2 3 N LYS A 153 ? N LYS L 149 O SER A 196 ? O SER L 193 F 3 4 N HIS A 201 ? N HIS L 198 O SER A 204 ? O SER L 203 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG L 500' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG L 501' # 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 5 THR A 5 ? THR L 5 . ? 1_555 ? 2 AC1 5 PRO A 7 ? PRO L 7 . ? 1_555 ? 3 AC1 5 ASN A 23 ? ASN L 24 . ? 1_555 ? 4 AC1 5 THR A 72 ? THR L 70 . ? 1_555 ? 5 AC1 5 NAG C . ? NAG L 501 . ? 1_555 ? 6 AC2 1 NAG B . ? NAG L 500 . ? 1_555 ? # _database_PDB_matrix.entry_id 3MUH _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 3MUH _atom_sites.fract_transf_matrix[1][1] 0.011438 _atom_sites.fract_transf_matrix[1][2] 0.006604 _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] 0.013207 _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] 0.005039 _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 . SER A 1 2 ? 26.862 16.396 172.334 1.00 101.86 ? 2 SER L N 1 ATOM 2 C CA . SER A 1 2 ? 26.994 17.004 173.665 1.00 103.10 ? 2 SER L CA 1 ATOM 3 C C . SER A 1 2 ? 28.482 17.230 174.083 1.00 104.44 ? 2 SER L C 1 ATOM 4 O O . SER A 1 2 ? 29.369 17.111 173.221 1.00 103.22 ? 2 SER L O 1 ATOM 5 C CB . SER A 1 2 ? 26.254 16.157 174.703 1.00 104.52 ? 2 SER L CB 1 ATOM 6 N N . ALA A 1 3 ? 28.740 17.580 175.392 1.00 98.73 ? 3 ALA L N 1 ATOM 7 C CA . ALA A 1 3 ? 30.078 17.828 175.975 1.00 96.54 ? 3 ALA L CA 1 ATOM 8 C C . ALA A 1 3 ? 30.264 17.160 177.338 1.00 97.72 ? 3 ALA L C 1 ATOM 9 O O . ALA A 1 3 ? 29.280 16.967 178.059 1.00 98.60 ? 3 ALA L O 1 ATOM 10 C CB . ALA A 1 3 ? 30.328 19.325 176.110 1.00 98.50 ? 3 ALA L CB 1 ATOM 11 N N . LEU A 1 4 ? 31.530 16.843 177.710 1.00 90.46 ? 4 LEU L N 1 ATOM 12 C CA . LEU A 1 4 ? 31.872 16.223 179.010 1.00 88.12 ? 4 LEU L CA 1 ATOM 13 C C . LEU A 1 4 ? 31.907 17.276 180.115 1.00 93.68 ? 4 LEU L C 1 ATOM 14 O O . LEU A 1 4 ? 32.581 18.297 179.960 1.00 94.92 ? 4 LEU L O 1 ATOM 15 C CB . LEU A 1 4 ? 33.247 15.538 178.940 1.00 85.22 ? 4 LEU L CB 1 ATOM 16 C CG . LEU A 1 4 ? 33.360 14.037 178.719 1.00 86.34 ? 4 LEU L CG 1 ATOM 17 C CD1 . LEU A 1 4 ? 32.061 13.390 178.253 1.00 86.20 ? 4 LEU L CD1 1 ATOM 18 C CD2 . LEU A 1 4 ? 34.511 13.738 177.802 1.00 86.15 ? 4 LEU L CD2 1 ATOM 19 N N . THR A 1 5 ? 31.208 17.024 181.238 1.00 89.40 ? 5 THR L N 1 ATOM 20 C CA . THR A 1 5 ? 31.160 17.951 182.376 1.00 89.55 ? 5 THR L CA 1 ATOM 21 C C . THR A 1 5 ? 32.310 17.692 183.357 1.00 88.60 ? 5 THR L C 1 ATOM 22 O O . THR A 1 5 ? 32.495 16.561 183.815 1.00 87.31 ? 5 THR L O 1 ATOM 23 C CB . THR A 1 5 ? 29.800 17.842 183.106 1.00 102.17 ? 5 THR L CB 1 ATOM 24 O OG1 . THR A 1 5 ? 28.746 17.721 182.148 1.00 104.77 ? 5 THR L OG1 1 ATOM 25 C CG2 . THR A 1 5 ? 29.535 19.018 184.053 1.00 101.95 ? 5 THR L CG2 1 ATOM 26 N N . GLN A 1 6 ? 33.070 18.737 183.686 1.00 81.90 ? 6 GLN L N 1 ATOM 27 C CA . GLN A 1 6 ? 34.116 18.641 184.700 1.00 79.39 ? 6 GLN L CA 1 ATOM 28 C C . GLN A 1 6 ? 34.144 19.874 185.631 1.00 82.43 ? 6 GLN L C 1 ATOM 29 O O . GLN A 1 6 ? 33.625 20.919 185.221 1.00 82.72 ? 6 GLN L O 1 ATOM 30 C CB . GLN A 1 6 ? 35.483 18.181 184.156 1.00 78.49 ? 6 GLN L CB 1 ATOM 31 C CG . GLN A 1 6 ? 36.031 18.859 182.911 1.00 78.41 ? 6 GLN L CG 1 ATOM 32 C CD . GLN A 1 6 ? 37.454 18.405 182.604 1.00 77.79 ? 6 GLN L CD 1 ATOM 33 O OE1 . GLN A 1 6 ? 37.770 17.955 181.495 1.00 61.17 ? 6 GLN L OE1 1 ATOM 34 N NE2 . GLN A 1 6 ? 38.360 18.533 183.576 1.00 64.75 ? 6 GLN L NE2 1 ATOM 35 N N . PRO A 1 7 ? 34.630 19.777 186.910 1.00 77.88 ? 7 PRO L N 1 ATOM 36 C CA . PRO A 1 7 ? 34.616 20.962 187.801 1.00 78.29 ? 7 PRO L CA 1 ATOM 37 C C . PRO A 1 7 ? 35.388 22.131 187.212 1.00 82.93 ? 7 PRO L C 1 ATOM 38 O O . PRO A 1 7 ? 36.216 21.927 186.320 1.00 82.46 ? 7 PRO L O 1 ATOM 39 C CB . PRO A 1 7 ? 35.279 20.456 189.077 1.00 78.49 ? 7 PRO L CB 1 ATOM 40 C CG . PRO A 1 7 ? 36.107 19.307 188.642 1.00 81.36 ? 7 PRO L CG 1 ATOM 41 C CD . PRO A 1 7 ? 35.274 18.635 187.592 1.00 77.48 ? 7 PRO L CD 1 ATOM 42 N N . ALA A 1 8 ? 35.083 23.350 187.653 1.00 79.30 ? 8 ALA L N 1 ATOM 43 C CA . ALA A 1 8 ? 35.762 24.506 187.093 1.00 79.24 ? 8 ALA L CA 1 ATOM 44 C C . ALA A 1 8 ? 37.147 24.695 187.700 1.00 83.28 ? 8 ALA L C 1 ATOM 45 O O . ALA A 1 8 ? 38.126 24.807 186.964 1.00 81.47 ? 8 ALA L O 1 ATOM 46 C CB . ALA A 1 8 ? 34.910 25.754 187.259 1.00 82.04 ? 8 ALA L CB 1 ATOM 47 N N . SER A 1 9 ? 37.230 24.689 189.040 1.00 82.41 ? 9 SER L N 1 ATOM 48 C CA . SER A 1 9 ? 38.466 24.912 189.778 1.00 82.29 ? 9 SER L CA 1 ATOM 49 C C . SER A 1 9 ? 38.652 23.914 190.891 1.00 84.51 ? 9 SER L C 1 ATOM 50 O O . SER A 1 9 ? 37.691 23.553 191.579 1.00 85.41 ? 9 SER L O 1 ATOM 51 C CB . SER A 1 9 ? 38.492 26.323 190.364 1.00 88.69 ? 9 SER L CB 1 ATOM 52 O OG . SER A 1 9 ? 39.756 26.622 190.937 1.00 99.29 ? 9 SER L OG 1 ATOM 53 N N . VAL A 1 10 ? 39.915 23.496 191.073 1.00 77.91 ? 11 VAL L N 1 ATOM 54 C CA . VAL A 1 10 ? 40.402 22.605 192.116 1.00 75.86 ? 11 VAL L CA 1 ATOM 55 C C . VAL A 1 10 ? 41.762 23.146 192.563 1.00 79.96 ? 11 VAL L C 1 ATOM 56 O O . VAL A 1 10 ? 42.613 23.455 191.725 1.00 78.41 ? 11 VAL L O 1 ATOM 57 C CB . VAL A 1 10 ? 40.476 21.123 191.674 1.00 77.46 ? 11 VAL L CB 1 ATOM 58 C CG1 . VAL A 1 10 ? 41.053 20.248 192.777 1.00 75.83 ? 11 VAL L CG1 1 ATOM 59 C CG2 . VAL A 1 10 ? 39.108 20.597 191.256 1.00 77.53 ? 11 VAL L CG2 1 ATOM 60 N N . SER A 1 11 ? 41.941 23.294 193.889 1.00 78.13 ? 12 SER L N 1 ATOM 61 C CA . SER A 1 11 ? 43.178 23.772 194.504 1.00 77.99 ? 12 SER L CA 1 ATOM 62 C C . SER A 1 11 ? 43.696 22.745 195.533 1.00 80.81 ? 12 SER L C 1 ATOM 63 O O . SER A 1 11 ? 42.891 22.116 196.226 1.00 79.63 ? 12 SER L O 1 ATOM 64 C CB . SER A 1 11 ? 42.973 25.148 195.131 1.00 82.81 ? 12 SER L CB 1 ATOM 65 O OG . SER A 1 11 ? 42.463 26.083 194.192 1.00 90.31 ? 12 SER L OG 1 ATOM 66 N N . GLY A 1 12 ? 45.022 22.566 195.582 1.00 77.40 ? 13 GLY L N 1 ATOM 67 C CA . GLY A 1 12 ? 45.700 21.618 196.467 1.00 76.05 ? 13 GLY L CA 1 ATOM 68 C C . GLY A 1 12 ? 46.989 22.096 197.126 1.00 80.56 ? 13 GLY L C 1 ATOM 69 O O . GLY A 1 12 ? 47.683 22.983 196.616 1.00 79.85 ? 13 GLY L O 1 ATOM 70 N N . SER A 1 13 ? 47.316 21.501 198.282 1.00 77.70 ? 14 SER L N 1 ATOM 71 C CA . SER A 1 13 ? 48.531 21.847 199.012 1.00 77.72 ? 14 SER L CA 1 ATOM 72 C C . SER A 1 13 ? 49.681 20.914 198.588 1.00 83.17 ? 14 SER L C 1 ATOM 73 O O . SER A 1 13 ? 49.418 19.746 198.249 1.00 81.38 ? 14 SER L O 1 ATOM 74 C CB . SER A 1 13 ? 48.280 21.836 200.512 1.00 78.51 ? 14 SER L CB 1 ATOM 75 O OG . SER A 1 13 ? 47.237 22.751 200.807 1.00 81.21 ? 14 SER L OG 1 ATOM 76 N N . PRO A 1 14 ? 50.948 21.424 198.509 1.00 80.91 ? 15 PRO L N 1 ATOM 77 C CA . PRO A 1 14 ? 52.046 20.579 197.987 1.00 79.25 ? 15 PRO L CA 1 ATOM 78 C C . PRO A 1 14 ? 52.331 19.309 198.782 1.00 79.56 ? 15 PRO L C 1 ATOM 79 O O . PRO A 1 14 ? 52.842 19.380 199.905 1.00 78.60 ? 15 PRO L O 1 ATOM 80 C CB . PRO A 1 14 ? 53.243 21.547 197.890 1.00 81.79 ? 15 PRO L CB 1 ATOM 81 C CG . PRO A 1 14 ? 52.650 22.901 197.929 1.00 87.42 ? 15 PRO L CG 1 ATOM 82 C CD . PRO A 1 14 ? 51.432 22.789 198.800 1.00 83.20 ? 15 PRO L CD 1 ATOM 83 N N . GLY A 1 15 ? 51.960 18.173 198.186 1.00 74.07 ? 16 GLY L N 1 ATOM 84 C CA . GLY A 1 15 ? 52.134 16.840 198.767 1.00 72.74 ? 16 GLY L CA 1 ATOM 85 C C . GLY A 1 15 ? 50.887 15.971 198.745 1.00 75.25 ? 16 GLY L C 1 ATOM 86 O O . GLY A 1 15 ? 50.969 14.737 198.724 1.00 72.04 ? 16 GLY L O 1 ATOM 87 N N . GLN A 1 16 ? 49.724 16.628 198.730 1.00 73.56 ? 17 GLN L N 1 ATOM 88 C CA . GLN A 1 16 ? 48.391 16.021 198.716 1.00 73.11 ? 17 GLN L CA 1 ATOM 89 C C . GLN A 1 16 ? 48.039 15.347 197.385 1.00 73.26 ? 17 GLN L C 1 ATOM 90 O O . GLN A 1 16 ? 48.684 15.580 196.356 1.00 70.71 ? 17 GLN L O 1 ATOM 91 C CB . GLN A 1 16 ? 47.330 17.119 198.984 1.00 76.40 ? 17 GLN L CB 1 ATOM 92 C CG . GLN A 1 16 ? 47.595 18.034 200.180 1.00 78.62 ? 17 GLN L CG 1 ATOM 93 C CD . GLN A 1 16 ? 47.480 17.262 201.459 1.00 91.03 ? 17 GLN L CD 1 ATOM 94 O OE1 . GLN A 1 16 ? 46.498 16.547 201.683 1.00 87.13 ? 17 GLN L OE1 1 ATOM 95 N NE2 . GLN A 1 16 ? 48.506 17.347 202.300 1.00 77.54 ? 17 GLN L NE2 1 ATOM 96 N N . SER A 1 17 ? 46.968 14.543 197.412 1.00 69.70 ? 18 SER L N 1 ATOM 97 C CA . SER A 1 17 ? 46.411 13.917 196.218 1.00 68.83 ? 18 SER L CA 1 ATOM 98 C C . SER A 1 17 ? 45.248 14.791 195.801 1.00 73.03 ? 18 SER L C 1 ATOM 99 O O . SER A 1 17 ? 44.682 15.509 196.647 1.00 75.52 ? 18 SER L O 1 ATOM 100 C CB . SER A 1 17 ? 45.937 12.499 196.496 1.00 71.27 ? 18 SER L CB 1 ATOM 101 O OG . SER A 1 17 ? 47.042 11.668 196.810 1.00 81.43 ? 18 SER L OG 1 ATOM 102 N N . ILE A 1 18 ? 44.926 14.772 194.494 1.00 65.06 ? 19 ILE L N 1 ATOM 103 C CA . ILE A 1 18 ? 43.857 15.566 193.924 1.00 63.85 ? 19 ILE L CA 1 ATOM 104 C C . ILE A 1 18 ? 43.003 14.783 192.946 1.00 64.94 ? 19 ILE L C 1 ATOM 105 O O . ILE A 1 18 ? 43.541 13.985 192.192 1.00 63.92 ? 19 ILE L O 1 ATOM 106 C CB . ILE A 1 18 ? 44.445 16.871 193.354 1.00 67.95 ? 19 ILE L CB 1 ATOM 107 C CG1 . ILE A 1 18 ? 43.620 18.056 193.780 1.00 70.81 ? 19 ILE L CG1 1 ATOM 108 C CG2 . ILE A 1 18 ? 44.693 16.858 191.840 1.00 67.91 ? 19 ILE L CG2 1 ATOM 109 C CD1 . ILE A 1 18 ? 43.947 18.542 195.109 1.00 87.70 ? 19 ILE L CD1 1 ATOM 110 N N . THR A 1 19 ? 41.680 14.967 192.968 1.00 62.18 ? 20 THR L N 1 ATOM 111 C CA . THR A 1 19 ? 40.827 14.259 192.020 1.00 62.84 ? 20 THR L CA 1 ATOM 112 C C . THR A 1 19 ? 39.945 15.165 191.148 1.00 70.56 ? 20 THR L C 1 ATOM 113 O O . THR A 1 19 ? 39.104 15.913 191.667 1.00 72.11 ? 20 THR L O 1 ATOM 114 C CB . THR A 1 19 ? 40.162 13.012 192.620 1.00 72.04 ? 20 THR L CB 1 ATOM 115 O OG1 . THR A 1 19 ? 41.188 12.160 193.119 1.00 71.14 ? 20 THR L OG1 1 ATOM 116 C CG2 . THR A 1 19 ? 39.358 12.207 191.578 1.00 72.68 ? 20 THR L CG2 1 ATOM 117 N N . ILE A 1 20 ? 40.141 15.065 189.810 1.00 66.20 ? 21 ILE L N 1 ATOM 118 C CA . ILE A 1 20 ? 39.354 15.792 188.816 1.00 66.59 ? 21 ILE L CA 1 ATOM 119 C C . ILE A 1 20 ? 38.417 14.803 188.136 1.00 69.81 ? 21 ILE L C 1 ATOM 120 O O . ILE A 1 20 ? 38.888 13.890 187.459 1.00 68.01 ? 21 ILE L O 1 ATOM 121 C CB . ILE A 1 20 ? 40.227 16.522 187.764 1.00 69.36 ? 21 ILE L CB 1 ATOM 122 C CG1 . ILE A 1 20 ? 41.325 17.380 188.424 1.00 69.59 ? 21 ILE L CG1 1 ATOM 123 C CG2 . ILE A 1 20 ? 39.335 17.342 186.824 1.00 70.95 ? 21 ILE L CG2 1 ATOM 124 C CD1 . ILE A 1 20 ? 42.437 17.792 187.494 1.00 68.96 ? 21 ILE L CD1 1 ATOM 125 N N . SER A 1 21 ? 37.100 14.986 188.315 1.00 67.99 ? 22 SER L N 1 ATOM 126 C CA . SER A 1 21 ? 36.082 14.141 187.688 1.00 67.99 ? 22 SER L CA 1 ATOM 127 C C . SER A 1 21 ? 35.828 14.615 186.253 1.00 74.35 ? 22 SER L C 1 ATOM 128 O O . SER A 1 21 ? 36.258 15.706 185.868 1.00 74.84 ? 22 SER L O 1 ATOM 129 C CB . SER A 1 21 ? 34.787 14.160 188.490 1.00 72.28 ? 22 SER L CB 1 ATOM 130 O OG . SER A 1 21 ? 34.386 15.480 188.829 1.00 84.20 ? 22 SER L OG 1 ATOM 131 N N . CYS A 1 22 ? 35.116 13.798 185.476 1.00 70.98 ? 23 CYS L N 1 ATOM 132 C CA . CYS A 1 22 ? 34.787 14.028 184.078 1.00 70.60 ? 23 CYS L CA 1 ATOM 133 C C . CYS A 1 22 ? 33.500 13.243 183.849 1.00 77.22 ? 23 CYS L C 1 ATOM 134 O O . CYS A 1 22 ? 33.544 12.018 183.672 1.00 76.18 ? 23 CYS L O 1 ATOM 135 C CB . CYS A 1 22 ? 35.939 13.503 183.231 1.00 69.19 ? 23 CYS L CB 1 ATOM 136 S SG . CYS A 1 22 ? 35.644 13.489 181.450 1.00 72.84 ? 23 CYS L SG 1 ATOM 137 N N . ASN A 1 23 ? 32.346 13.933 183.977 1.00 76.97 ? 24 ASN L N 1 ATOM 138 C CA . ASN A 1 23 ? 31.002 13.352 183.857 1.00 78.25 ? 24 ASN L CA 1 ATOM 139 C C . ASN A 1 23 ? 30.531 13.242 182.422 1.00 83.35 ? 24 ASN L C 1 ATOM 140 O O . ASN A 1 23 ? 30.541 14.226 181.685 1.00 83.34 ? 24 ASN L O 1 ATOM 141 C CB . ASN A 1 23 ? 29.985 14.139 184.687 1.00 81.24 ? 24 ASN L CB 1 ATOM 142 C CG . ASN A 1 23 ? 30.168 14.009 186.171 1.00 106.97 ? 24 ASN L CG 1 ATOM 143 O OD1 . ASN A 1 23 ? 31.087 13.333 186.657 1.00 96.05 ? 24 ASN L OD1 1 ATOM 144 N ND2 . ASN A 1 23 ? 29.289 14.671 186.920 1.00 105.84 ? 24 ASN L ND2 1 ATOM 145 N N . GLY A 1 24 ? 30.102 12.048 182.052 1.00 81.14 ? 25 GLY L N 1 ATOM 146 C CA . GLY A 1 24 ? 29.644 11.775 180.703 1.00 82.68 ? 25 GLY L CA 1 ATOM 147 C C . GLY A 1 24 ? 28.367 10.977 180.619 1.00 91.21 ? 25 GLY L C 1 ATOM 148 O O . GLY A 1 24 ? 27.559 10.992 181.552 1.00 92.48 ? 25 GLY L O 1 ATOM 149 N N . THR A 1 25 ? 28.170 10.321 179.461 1.00 89.26 ? 26 THR L N 1 ATOM 150 C CA . THR A 1 25 ? 27.022 9.472 179.158 1.00 91.15 ? 26 THR L CA 1 ATOM 151 C C . THR A 1 25 ? 27.462 8.038 178.823 1.00 96.19 ? 26 THR L C 1 ATOM 152 O O . THR A 1 25 ? 28.660 7.767 178.634 1.00 94.82 ? 26 THR L O 1 ATOM 153 C CB . THR A 1 25 ? 26.110 10.094 178.045 1.00 103.52 ? 26 THR L CB 1 ATOM 154 O OG1 . THR A 1 25 ? 25.001 9.222 177.783 1.00 105.68 ? 26 THR L OG1 1 ATOM 155 C CG2 . THR A 1 25 ? 26.836 10.342 176.728 1.00 101.22 ? 26 THR L CG2 1 ATOM 156 N N . SER A 1 26 ? 26.459 7.132 178.727 1.00 93.34 ? 27 SER L N 1 ATOM 157 C CA . SER A 1 26 ? 26.587 5.740 178.317 1.00 91.77 ? 27 SER L CA 1 ATOM 158 C C . SER A 1 26 ? 27.174 5.692 176.883 1.00 94.58 ? 27 SER L C 1 ATOM 159 O O . SER A 1 26 ? 27.780 4.686 176.494 1.00 93.02 ? 27 SER L O 1 ATOM 160 C CB . SER A 1 26 ? 25.217 5.067 178.352 1.00 95.72 ? 27 SER L CB 1 ATOM 161 O OG . SER A 1 26 ? 24.212 5.836 177.704 1.00 103.41 ? 27 SER L OG 1 ATOM 162 N N . ASN A 1 27 A 27.016 6.800 176.120 1.00 91.12 ? 27 ASN L N 1 ATOM 163 C CA . ASN A 1 27 A 27.511 6.927 174.752 1.00 90.76 ? 27 ASN L CA 1 ATOM 164 C C . ASN A 1 27 A 29.005 7.318 174.663 1.00 93.51 ? 27 ASN L C 1 ATOM 165 O O . ASN A 1 27 A 29.571 7.342 173.561 1.00 92.71 ? 27 ASN L O 1 ATOM 166 C CB . ASN A 1 27 A 26.615 7.864 173.914 1.00 94.41 ? 27 ASN L CB 1 ATOM 167 C CG . ASN A 1 27 A 26.575 7.531 172.431 1.00 105.73 ? 27 ASN L CG 1 ATOM 168 O OD1 . ASN A 1 27 A 27.567 7.657 171.705 1.00 86.32 ? 27 ASN L OD1 1 ATOM 169 N ND2 . ASN A 1 27 A 25.410 7.130 171.943 1.00 101.04 ? 27 ASN L ND2 1 ATOM 170 N N . ASP A 1 28 B 29.648 7.598 175.815 1.00 88.56 ? 27 ASP L N 1 ATOM 171 C CA . ASP A 1 28 B 31.073 7.938 175.850 1.00 86.22 ? 27 ASP L CA 1 ATOM 172 C C . ASP A 1 28 B 31.827 7.259 177.001 1.00 87.44 ? 27 ASP L C 1 ATOM 173 O O . ASP A 1 28 B 32.280 6.120 176.853 1.00 86.84 ? 27 ASP L O 1 ATOM 174 C CB . ASP A 1 28 B 31.321 9.462 175.775 1.00 88.41 ? 27 ASP L CB 1 ATOM 175 C CG . ASP A 1 28 B 30.352 10.342 176.552 1.00 101.31 ? 27 ASP L CG 1 ATOM 176 O OD1 . ASP A 1 28 B 30.262 10.185 177.790 1.00 101.88 ? 27 ASP L OD1 1 ATOM 177 O OD2 . ASP A 1 28 B 29.733 11.228 175.931 1.00 109.42 ? 27 ASP L OD2 1 ATOM 178 N N . VAL A 1 29 C 31.923 7.939 178.148 1.00 81.47 ? 27 VAL L N 1 ATOM 179 C CA . VAL A 1 29 C 32.633 7.464 179.322 1.00 79.60 ? 27 VAL L CA 1 ATOM 180 C C . VAL A 1 29 C 32.030 6.175 179.837 1.00 84.31 ? 27 VAL L C 1 ATOM 181 O O . VAL A 1 29 C 32.773 5.286 180.243 1.00 82.97 ? 27 VAL L O 1 ATOM 182 C CB . VAL A 1 29 C 32.685 8.563 180.412 1.00 83.26 ? 27 VAL L CB 1 ATOM 183 C CG1 . VAL A 1 29 C 33.319 8.044 181.703 1.00 82.35 ? 27 VAL L CG1 1 ATOM 184 C CG2 . VAL A 1 29 C 33.415 9.807 179.907 1.00 82.75 ? 27 VAL L CG2 1 ATOM 185 N N . GLY A 1 30 ? 30.701 6.087 179.782 1.00 82.77 ? 28 GLY L N 1 ATOM 186 C CA . GLY A 1 30 ? 29.917 4.972 180.300 1.00 83.24 ? 28 GLY L CA 1 ATOM 187 C C . GLY A 1 30 ? 30.056 3.622 179.621 1.00 86.45 ? 28 GLY L C 1 ATOM 188 O O . GLY A 1 30 ? 30.044 2.591 180.302 1.00 86.37 ? 28 GLY L O 1 ATOM 189 N N . GLY A 1 31 ? 30.146 3.613 178.294 1.00 81.33 ? 29 GLY L N 1 ATOM 190 C CA . GLY A 1 31 ? 30.213 2.360 177.548 1.00 80.12 ? 29 GLY L CA 1 ATOM 191 C C . GLY A 1 31 ? 31.517 2.032 176.850 1.00 81.05 ? 29 GLY L C 1 ATOM 192 O O . GLY A 1 31 ? 31.609 0.987 176.183 1.00 78.66 ? 29 GLY L O 1 ATOM 193 N N . TYR A 1 32 ? 32.528 2.935 176.975 1.00 76.67 ? 30 TYR L N 1 ATOM 194 C CA . TYR A 1 32 ? 33.838 2.773 176.330 1.00 74.73 ? 30 TYR L CA 1 ATOM 195 C C . TYR A 1 32 ? 35.009 3.037 177.250 1.00 74.33 ? 30 TYR L C 1 ATOM 196 O O . TYR A 1 32 ? 34.926 3.863 178.162 1.00 73.90 ? 30 TYR L O 1 ATOM 197 C CB . TYR A 1 32 ? 33.937 3.586 175.026 1.00 76.55 ? 30 TYR L CB 1 ATOM 198 C CG . TYR A 1 32 ? 32.792 3.283 174.090 1.00 80.81 ? 30 TYR L CG 1 ATOM 199 C CD1 . TYR A 1 32 ? 32.797 2.138 173.296 1.00 82.32 ? 30 TYR L CD1 1 ATOM 200 C CD2 . TYR A 1 32 ? 31.649 4.081 174.076 1.00 83.78 ? 30 TYR L CD2 1 ATOM 201 C CE1 . TYR A 1 32 ? 31.701 1.802 172.502 1.00 84.46 ? 30 TYR L CE1 1 ATOM 202 C CE2 . TYR A 1 32 ? 30.546 3.755 173.284 1.00 85.86 ? 30 TYR L CE2 1 ATOM 203 C CZ . TYR A 1 32 ? 30.578 2.617 172.495 1.00 94.82 ? 30 TYR L CZ 1 ATOM 204 O OH . TYR A 1 32 ? 29.492 2.300 171.710 1.00 98.88 ? 30 TYR L OH 1 ATOM 205 N N . GLU A 1 33 ? 36.101 2.311 177.001 1.00 67.56 ? 31 GLU L N 1 ATOM 206 C CA . GLU A 1 33 ? 37.331 2.371 177.776 1.00 66.07 ? 31 GLU L CA 1 ATOM 207 C C . GLU A 1 33 ? 38.327 3.302 177.091 1.00 69.20 ? 31 GLU L C 1 ATOM 208 O O . GLU A 1 33 ? 39.524 3.009 177.085 1.00 67.98 ? 31 GLU L O 1 ATOM 209 C CB . GLU A 1 33 ? 37.925 0.950 177.911 1.00 66.52 ? 31 GLU L CB 1 ATOM 210 C CG . GLU A 1 33 ? 37.079 -0.048 178.690 1.00 77.33 ? 31 GLU L CG 1 ATOM 211 C CD . GLU A 1 33 ? 37.039 0.144 180.198 1.00 98.86 ? 31 GLU L CD 1 ATOM 212 O OE1 . GLU A 1 33 ? 38.048 -0.177 180.869 1.00 81.79 ? 31 GLU L OE1 1 ATOM 213 O OE2 . GLU A 1 33 ? 35.982 0.580 180.711 1.00 92.32 ? 31 GLU L OE2 1 ATOM 214 N N . SER A 1 34 ? 37.852 4.431 176.531 1.00 65.86 ? 32 SER L N 1 ATOM 215 C CA . SER A 1 34 ? 38.751 5.304 175.794 1.00 65.50 ? 32 SER L CA 1 ATOM 216 C C . SER A 1 34 ? 38.939 6.752 176.254 1.00 69.27 ? 32 SER L C 1 ATOM 217 O O . SER A 1 34 ? 39.398 7.600 175.487 1.00 67.57 ? 32 SER L O 1 ATOM 218 C CB . SER A 1 34 ? 38.476 5.189 174.302 1.00 70.40 ? 32 SER L CB 1 ATOM 219 O OG . SER A 1 34 ? 39.221 4.140 173.693 1.00 78.97 ? 32 SER L OG 1 ATOM 220 N N . VAL A 1 35 ? 38.678 7.010 177.535 1.00 67.85 ? 33 VAL L N 1 ATOM 221 C CA . VAL A 1 35 ? 38.851 8.341 178.141 1.00 67.98 ? 33 VAL L CA 1 ATOM 222 C C . VAL A 1 35 ? 40.341 8.709 178.397 1.00 68.60 ? 33 VAL L C 1 ATOM 223 O O . VAL A 1 35 ? 41.100 7.921 178.988 1.00 67.23 ? 33 VAL L O 1 ATOM 224 C CB . VAL A 1 35 ? 37.915 8.564 179.368 1.00 72.31 ? 33 VAL L CB 1 ATOM 225 C CG1 . VAL A 1 35 ? 38.110 7.477 180.416 1.00 71.71 ? 33 VAL L CG1 1 ATOM 226 C CG2 . VAL A 1 35 ? 38.083 9.957 179.975 1.00 72.63 ? 33 VAL L CG2 1 ATOM 227 N N . SER A 1 36 ? 40.736 9.905 177.936 1.00 62.76 ? 34 SER L N 1 ATOM 228 C CA . SER A 1 36 ? 42.100 10.403 178.060 1.00 61.55 ? 34 SER L CA 1 ATOM 229 C C . SER A 1 36 ? 42.197 11.792 178.714 1.00 65.92 ? 34 SER L C 1 ATOM 230 O O . SER A 1 36 ? 41.290 12.616 178.606 1.00 66.49 ? 34 SER L O 1 ATOM 231 C CB . SER A 1 36 ? 42.816 10.370 176.713 1.00 63.98 ? 34 SER L CB 1 ATOM 232 O OG . SER A 1 36 ? 41.944 10.034 175.642 1.00 75.22 ? 34 SER L OG 1 ATOM 233 N N . TRP A 1 37 ? 43.311 12.044 179.387 1.00 61.34 ? 35 TRP L N 1 ATOM 234 C CA . TRP A 1 37 ? 43.538 13.283 180.101 1.00 61.56 ? 35 TRP L CA 1 ATOM 235 C C . TRP A 1 37 ? 44.742 13.994 179.569 1.00 65.92 ? 35 TRP L C 1 ATOM 236 O O . TRP A 1 37 ? 45.788 13.367 179.371 1.00 63.88 ? 35 TRP L O 1 ATOM 237 C CB . TRP A 1 37 ? 43.709 12.992 181.597 1.00 60.27 ? 35 TRP L CB 1 ATOM 238 C CG . TRP A 1 37 ? 42.476 12.418 182.235 1.00 61.20 ? 35 TRP L CG 1 ATOM 239 C CD1 . TRP A 1 37 ? 42.120 11.103 182.290 1.00 63.59 ? 35 TRP L CD1 1 ATOM 240 C CD2 . TRP A 1 37 ? 41.414 13.149 182.864 1.00 61.61 ? 35 TRP L CD2 1 ATOM 241 N NE1 . TRP A 1 37 ? 40.914 10.964 182.941 1.00 63.75 ? 35 TRP L NE1 1 ATOM 242 C CE2 . TRP A 1 37 ? 40.457 12.206 183.301 1.00 65.88 ? 35 TRP L CE2 1 ATOM 243 C CE3 . TRP A 1 37 ? 41.195 14.503 183.135 1.00 63.69 ? 35 TRP L CE3 1 ATOM 244 C CZ2 . TRP A 1 37 ? 39.310 12.579 184.012 1.00 65.97 ? 35 TRP L CZ2 1 ATOM 245 C CZ3 . TRP A 1 37 ? 40.043 14.870 183.809 1.00 66.21 ? 35 TRP L CZ3 1 ATOM 246 C CH2 . TRP A 1 37 ? 39.123 13.914 184.249 1.00 66.66 ? 35 TRP L CH2 1 ATOM 247 N N . TYR A 1 38 ? 44.590 15.324 179.366 1.00 65.44 ? 36 TYR L N 1 ATOM 248 C CA . TYR A 1 38 ? 45.588 16.262 178.856 1.00 66.58 ? 36 TYR L CA 1 ATOM 249 C C . TYR A 1 38 ? 45.921 17.354 179.886 1.00 74.78 ? 36 TYR L C 1 ATOM 250 O O . TYR A 1 38 ? 45.092 17.653 180.747 1.00 75.53 ? 36 TYR L O 1 ATOM 251 C CB . TYR A 1 38 ? 45.025 16.950 177.612 1.00 68.49 ? 36 TYR L CB 1 ATOM 252 C CG . TYR A 1 38 ? 44.880 16.060 176.396 1.00 71.35 ? 36 TYR L CG 1 ATOM 253 C CD1 . TYR A 1 38 ? 45.856 16.035 175.405 1.00 73.97 ? 36 TYR L CD1 1 ATOM 254 C CD2 . TYR A 1 38 ? 43.733 15.295 176.198 1.00 71.92 ? 36 TYR L CD2 1 ATOM 255 C CE1 . TYR A 1 38 ? 45.701 15.258 174.255 1.00 75.89 ? 36 TYR L CE1 1 ATOM 256 C CE2 . TYR A 1 38 ? 43.590 14.473 175.079 1.00 72.13 ? 36 TYR L CE2 1 ATOM 257 C CZ . TYR A 1 38 ? 44.576 14.458 174.104 1.00 83.33 ? 36 TYR L CZ 1 ATOM 258 O OH . TYR A 1 38 ? 44.416 13.681 172.971 1.00 86.48 ? 36 TYR L OH 1 ATOM 259 N N . GLN A 1 39 ? 47.112 17.987 179.765 1.00 73.29 ? 37 GLN L N 1 ATOM 260 C CA . GLN A 1 39 ? 47.504 19.136 180.592 1.00 74.43 ? 37 GLN L CA 1 ATOM 261 C C . GLN A 1 39 ? 47.993 20.316 179.757 1.00 82.39 ? 37 GLN L C 1 ATOM 262 O O . GLN A 1 39 ? 48.852 20.167 178.877 1.00 81.40 ? 37 GLN L O 1 ATOM 263 C CB . GLN A 1 39 ? 48.486 18.783 181.717 1.00 74.68 ? 37 GLN L CB 1 ATOM 264 C CG . GLN A 1 39 ? 49.956 18.671 181.328 1.00 74.17 ? 37 GLN L CG 1 ATOM 265 C CD . GLN A 1 39 ? 50.861 18.531 182.527 1.00 83.60 ? 37 GLN L CD 1 ATOM 266 O OE1 . GLN A 1 39 ? 50.634 19.119 183.594 1.00 80.60 ? 37 GLN L OE1 1 ATOM 267 N NE2 . GLN A 1 39 ? 51.923 17.748 182.376 1.00 67.19 ? 37 GLN L NE2 1 ATOM 268 N N . GLN A 1 40 ? 47.418 21.491 180.027 1.00 82.76 ? 38 GLN L N 1 ATOM 269 C CA . GLN A 1 40 ? 47.792 22.730 179.356 1.00 84.04 ? 38 GLN L CA 1 ATOM 270 C C . GLN A 1 40 ? 48.608 23.556 180.273 1.00 89.11 ? 38 GLN L C 1 ATOM 271 O O . GLN A 1 40 ? 48.148 23.950 181.342 1.00 88.08 ? 38 GLN L O 1 ATOM 272 C CB . GLN A 1 40 ? 46.577 23.583 178.911 1.00 86.27 ? 38 GLN L CB 1 ATOM 273 C CG . GLN A 1 40 ? 46.009 23.279 177.537 1.00 89.76 ? 38 GLN L CG 1 ATOM 274 C CD . GLN A 1 40 ? 46.897 23.594 176.360 1.00 107.59 ? 38 GLN L CD 1 ATOM 275 O OE1 . GLN A 1 40 ? 48.122 23.403 176.384 1.00 103.06 ? 38 GLN L OE1 1 ATOM 276 N NE2 . GLN A 1 40 ? 46.265 23.954 175.247 1.00 99.53 ? 38 GLN L NE2 1 ATOM 277 N N . HIS A 1 41 ? 49.824 23.814 179.854 1.00 88.23 ? 39 HIS L N 1 ATOM 278 C CA . HIS A 1 41 ? 50.703 24.769 180.496 1.00 90.50 ? 39 HIS L CA 1 ATOM 279 C C . HIS A 1 41 ? 50.604 26.001 179.557 1.00 98.74 ? 39 HIS L C 1 ATOM 280 O O . HIS A 1 41 ? 50.411 25.807 178.353 1.00 99.07 ? 39 HIS L O 1 ATOM 281 C CB . HIS A 1 41 ? 52.127 24.221 180.612 1.00 90.35 ? 39 HIS L CB 1 ATOM 282 C CG . HIS A 1 41 ? 52.312 23.265 181.744 1.00 92.18 ? 39 HIS L CG 1 ATOM 283 N ND1 . HIS A 1 41 ? 53.532 22.664 181.977 1.00 93.20 ? 39 HIS L ND1 1 ATOM 284 C CD2 . HIS A 1 41 ? 51.432 22.853 182.687 1.00 93.28 ? 39 HIS L CD2 1 ATOM 285 C CE1 . HIS A 1 41 ? 53.357 21.905 183.046 1.00 91.77 ? 39 HIS L CE1 1 ATOM 286 N NE2 . HIS A 1 41 ? 52.108 21.985 183.506 1.00 92.11 ? 39 HIS L NE2 1 ATOM 287 N N . PRO A 1 42 ? 50.593 27.245 180.071 1.00 97.33 ? 40 PRO L N 1 ATOM 288 C CA . PRO A 1 42 ? 50.361 28.407 179.194 1.00 98.99 ? 40 PRO L CA 1 ATOM 289 C C . PRO A 1 42 ? 50.885 28.412 177.748 1.00 105.79 ? 40 PRO L C 1 ATOM 290 O O . PRO A 1 42 ? 50.073 28.310 176.811 1.00 106.62 ? 40 PRO L O 1 ATOM 291 C CB . PRO A 1 42 ? 50.824 29.576 180.036 1.00 102.53 ? 40 PRO L CB 1 ATOM 292 C CG . PRO A 1 42 ? 50.542 29.141 181.438 1.00 106.81 ? 40 PRO L CG 1 ATOM 293 C CD . PRO A 1 42 ? 50.716 27.651 181.488 1.00 99.90 ? 40 PRO L CD 1 ATOM 294 N N . GLY A 1 43 ? 52.205 28.499 177.558 1.00 101.83 ? 41 GLY L N 1 ATOM 295 C CA . GLY A 1 43 ? 52.788 28.500 176.214 1.00 100.53 ? 41 GLY L CA 1 ATOM 296 C C . GLY A 1 43 ? 53.164 27.117 175.715 1.00 98.93 ? 41 GLY L C 1 ATOM 297 O O . GLY A 1 43 ? 54.184 26.945 175.046 1.00 97.35 ? 41 GLY L O 1 ATOM 298 N N . LYS A 1 44 ? 52.367 26.112 176.079 1.00 93.15 ? 42 LYS L N 1 ATOM 299 C CA . LYS A 1 44 ? 52.613 24.716 175.728 1.00 90.64 ? 42 LYS L CA 1 ATOM 300 C C . LYS A 1 44 ? 51.457 24.138 174.944 1.00 92.00 ? 42 LYS L C 1 ATOM 301 O O . LYS A 1 44 ? 50.369 24.728 174.887 1.00 92.06 ? 42 LYS L O 1 ATOM 302 C CB . LYS A 1 44 ? 52.894 23.854 176.989 1.00 91.53 ? 42 LYS L CB 1 ATOM 303 C CG . LYS A 1 44 ? 54.383 23.671 177.375 1.00 105.03 ? 42 LYS L CG 1 ATOM 304 C CD . LYS A 1 44 ? 55.256 24.973 177.520 1.00 116.45 ? 42 LYS L CD 1 ATOM 305 C CE . LYS A 1 44 ? 54.880 25.943 178.627 1.00 120.28 ? 42 LYS L CE 1 ATOM 306 N NZ . LYS A 1 44 ? 55.248 25.419 179.964 1.00 125.75 ? 42 LYS L NZ 1 ATOM 307 N N . ALA A 1 45 ? 51.731 23.004 174.295 1.00 85.44 ? 43 ALA L N 1 ATOM 308 C CA . ALA A 1 45 ? 50.768 22.237 173.536 1.00 83.54 ? 43 ALA L CA 1 ATOM 309 C C . ALA A 1 45 ? 50.316 21.110 174.479 1.00 86.82 ? 43 ALA L C 1 ATOM 310 O O . ALA A 1 45 ? 51.161 20.604 175.242 1.00 87.38 ? 43 ALA L O 1 ATOM 311 C CB . ALA A 1 45 ? 51.437 21.664 172.308 1.00 83.33 ? 43 ALA L CB 1 ATOM 312 N N . PRO A 1 46 ? 49.010 20.725 174.500 1.00 80.70 ? 44 PRO L N 1 ATOM 313 C CA . PRO A 1 46 ? 48.568 19.676 175.442 1.00 78.64 ? 44 PRO L CA 1 ATOM 314 C C . PRO A 1 46 ? 49.444 18.434 175.443 1.00 80.47 ? 44 PRO L C 1 ATOM 315 O O . PRO A 1 46 ? 50.033 18.107 174.413 1.00 80.41 ? 44 PRO L O 1 ATOM 316 C CB . PRO A 1 46 ? 47.150 19.350 174.972 1.00 79.81 ? 44 PRO L CB 1 ATOM 317 C CG . PRO A 1 46 ? 46.669 20.595 174.352 1.00 85.82 ? 44 PRO L CG 1 ATOM 318 C CD . PRO A 1 46 ? 47.875 21.243 173.711 1.00 82.23 ? 44 PRO L CD 1 ATOM 319 N N . LYS A 1 47 ? 49.572 17.788 176.615 1.00 74.86 ? 45 LYS L N 1 ATOM 320 C CA . LYS A 1 47 ? 50.345 16.560 176.813 1.00 72.38 ? 45 LYS L CA 1 ATOM 321 C C . LYS A 1 47 ? 49.466 15.528 177.488 1.00 73.54 ? 45 LYS L C 1 ATOM 322 O O . LYS A 1 47 ? 48.864 15.789 178.537 1.00 72.62 ? 45 LYS L O 1 ATOM 323 C CB . LYS A 1 47 ? 51.616 16.814 177.644 1.00 74.92 ? 45 LYS L CB 1 ATOM 324 C CG . LYS A 1 47 ? 52.666 15.701 177.548 1.00 84.64 ? 45 LYS L CG 1 ATOM 325 C CD . LYS A 1 47 ? 53.103 15.180 178.925 1.00 95.31 ? 45 LYS L CD 1 ATOM 326 C CE . LYS A 1 47 ? 54.227 15.963 179.579 1.00 106.38 ? 45 LYS L CE 1 ATOM 327 N NZ . LYS A 1 47 ? 54.579 15.426 180.927 1.00 111.40 ? 45 LYS L NZ 1 ATOM 328 N N . VAL A 1 48 ? 49.399 14.349 176.872 1.00 69.11 ? 46 VAL L N 1 ATOM 329 C CA . VAL A 1 48 ? 48.620 13.208 177.346 1.00 67.43 ? 46 VAL L CA 1 ATOM 330 C C . VAL A 1 48 ? 49.308 12.618 178.565 1.00 69.33 ? 46 VAL L C 1 ATOM 331 O O . VAL A 1 48 ? 50.469 12.195 178.472 1.00 69.76 ? 46 VAL L O 1 ATOM 332 C CB . VAL A 1 48 ? 48.442 12.147 176.233 1.00 70.27 ? 46 VAL L CB 1 ATOM 333 C CG1 . VAL A 1 48 ? 47.819 10.865 176.784 1.00 69.76 ? 46 VAL L CG1 1 ATOM 334 C CG2 . VAL A 1 48 ? 47.612 12.694 175.085 1.00 70.08 ? 46 VAL L CG2 1 ATOM 335 N N . VAL A 1 49 ? 48.592 12.586 179.699 1.00 62.92 ? 47 VAL L N 1 ATOM 336 C CA . VAL A 1 49 ? 49.106 12.039 180.956 1.00 60.79 ? 47 VAL L CA 1 ATOM 337 C C . VAL A 1 49 ? 48.498 10.671 181.255 1.00 64.21 ? 47 VAL L C 1 ATOM 338 O O . VAL A 1 49 ? 49.167 9.807 181.833 1.00 63.18 ? 47 VAL L O 1 ATOM 339 C CB . VAL A 1 49 ? 48.980 13.020 182.127 1.00 63.87 ? 47 VAL L CB 1 ATOM 340 C CG1 . VAL A 1 49 ? 50.123 14.012 182.107 1.00 64.03 ? 47 VAL L CG1 1 ATOM 341 C CG2 . VAL A 1 49 ? 47.642 13.739 182.096 1.00 64.42 ? 47 VAL L CG2 1 ATOM 342 N N . ILE A 1 50 ? 47.242 10.466 180.808 1.00 60.21 ? 48 ILE L N 1 ATOM 343 C CA . ILE A 1 50 ? 46.481 9.227 180.952 1.00 58.14 ? 48 ILE L CA 1 ATOM 344 C C . ILE A 1 50 ? 45.686 8.984 179.673 1.00 62.73 ? 48 ILE L C 1 ATOM 345 O O . ILE A 1 50 ? 45.063 9.905 179.162 1.00 63.47 ? 48 ILE L O 1 ATOM 346 C CB . ILE A 1 50 ? 45.593 9.307 182.233 1.00 60.80 ? 48 ILE L CB 1 ATOM 347 C CG1 . ILE A 1 50 ? 46.414 9.080 183.532 1.00 60.67 ? 48 ILE L CG1 1 ATOM 348 C CG2 . ILE A 1 50 ? 44.366 8.411 182.181 1.00 60.72 ? 48 ILE L CG2 1 ATOM 349 C CD1 . ILE A 1 50 ? 47.204 7.774 183.666 1.00 65.43 ? 48 ILE L CD1 1 ATOM 350 N N . TYR A 1 51 ? 45.747 7.772 179.130 1.00 60.06 ? 49 TYR L N 1 ATOM 351 C CA . TYR A 1 51 ? 44.968 7.386 177.944 1.00 60.61 ? 49 TYR L CA 1 ATOM 352 C C . TYR A 1 51 ? 44.260 6.065 178.229 1.00 65.86 ? 49 TYR L C 1 ATOM 353 O O . TYR A 1 51 ? 44.707 5.318 179.103 1.00 63.36 ? 49 TYR L O 1 ATOM 354 C CB . TYR A 1 51 ? 45.814 7.336 176.652 1.00 61.20 ? 49 TYR L CB 1 ATOM 355 C CG . TYR A 1 51 ? 46.840 6.221 176.592 1.00 61.95 ? 49 TYR L CG 1 ATOM 356 C CD1 . TYR A 1 51 ? 46.580 5.038 175.900 1.00 61.37 ? 49 TYR L CD1 1 ATOM 357 C CD2 . TYR A 1 51 ? 48.087 6.363 177.192 1.00 64.07 ? 49 TYR L CD2 1 ATOM 358 C CE1 . TYR A 1 51 ? 47.529 4.018 175.831 1.00 59.46 ? 49 TYR L CE1 1 ATOM 359 C CE2 . TYR A 1 51 ? 49.027 5.332 177.165 1.00 64.92 ? 49 TYR L CE2 1 ATOM 360 C CZ . TYR A 1 51 ? 48.750 4.167 176.474 1.00 67.85 ? 49 TYR L CZ 1 ATOM 361 O OH . TYR A 1 51 ? 49.708 3.183 176.468 1.00 66.92 ? 49 TYR L OH 1 ATOM 362 N N . ASP A 1 52 ? 43.154 5.788 177.513 1.00 66.42 ? 50 ASP L N 1 ATOM 363 C CA . ASP A 1 52 ? 42.346 4.573 177.697 1.00 68.28 ? 50 ASP L CA 1 ATOM 364 C C . ASP A 1 52 ? 42.056 4.273 179.176 1.00 73.17 ? 50 ASP L C 1 ATOM 365 O O . ASP A 1 52 ? 42.220 3.120 179.637 1.00 72.80 ? 50 ASP L O 1 ATOM 366 C CB . ASP A 1 52 ? 42.945 3.329 176.992 1.00 70.74 ? 50 ASP L CB 1 ATOM 367 C CG . ASP A 1 52 ? 42.991 3.357 175.478 1.00 88.05 ? 50 ASP L CG 1 ATOM 368 O OD1 . ASP A 1 52 ? 42.332 4.240 174.876 1.00 92.14 ? 50 ASP L OD1 1 ATOM 369 O OD2 . ASP A 1 52 ? 43.677 2.485 174.890 1.00 93.03 ? 50 ASP L OD2 1 ATOM 370 N N . VAL A 1 53 ? 41.617 5.340 179.911 1.00 68.35 ? 51 VAL L N 1 ATOM 371 C CA . VAL A 1 53 ? 41.195 5.337 181.316 1.00 66.92 ? 51 VAL L CA 1 ATOM 372 C C . VAL A 1 53 ? 42.315 5.417 182.328 1.00 68.01 ? 51 VAL L C 1 ATOM 373 O O . VAL A 1 53 ? 42.226 6.240 183.233 1.00 69.12 ? 51 VAL L O 1 ATOM 374 C CB . VAL A 1 53 ? 40.205 4.191 181.717 1.00 70.55 ? 51 VAL L CB 1 ATOM 375 C CG1 . VAL A 1 53 ? 39.620 4.425 183.110 1.00 70.81 ? 51 VAL L CG1 1 ATOM 376 C CG2 . VAL A 1 53 ? 39.096 3.970 180.683 1.00 70.57 ? 51 VAL L CG2 1 ATOM 377 N N . SER A 1 54 ? 43.279 4.499 182.280 1.00 61.20 ? 52 SER L N 1 ATOM 378 C CA . SER A 1 54 ? 44.245 4.408 183.362 1.00 60.68 ? 52 SER L CA 1 ATOM 379 C C . SER A 1 54 ? 45.677 4.190 182.949 1.00 65.28 ? 52 SER L C 1 ATOM 380 O O . SER A 1 54 ? 46.510 3.857 183.815 1.00 66.35 ? 52 SER L O 1 ATOM 381 C CB . SER A 1 54 ? 43.829 3.267 184.296 1.00 61.46 ? 52 SER L CB 1 ATOM 382 O OG . SER A 1 54 ? 43.909 1.995 183.665 1.00 56.60 ? 52 SER L OG 1 ATOM 383 N N . LYS A 1 55 ? 45.972 4.328 181.655 1.00 59.49 ? 53 LYS L N 1 ATOM 384 C CA . LYS A 1 55 ? 47.295 4.004 181.142 1.00 58.35 ? 53 LYS L CA 1 ATOM 385 C C . LYS A 1 55 ? 48.174 5.187 181.045 1.00 63.65 ? 53 LYS L C 1 ATOM 386 O O . LYS A 1 55 ? 47.778 6.155 180.419 1.00 64.01 ? 53 LYS L O 1 ATOM 387 C CB . LYS A 1 55 ? 47.178 3.317 179.777 1.00 59.71 ? 53 LYS L CB 1 ATOM 388 C CG . LYS A 1 55 ? 46.690 1.870 179.844 1.00 65.56 ? 53 LYS L CG 1 ATOM 389 C CD . LYS A 1 55 ? 45.792 1.535 178.634 1.00 73.04 ? 53 LYS L CD 1 ATOM 390 C CE . LYS A 1 55 ? 46.503 1.091 177.359 1.00 66.90 ? 53 LYS L CE 1 ATOM 391 N NZ . LYS A 1 55 ? 45.545 0.753 176.262 1.00 59.66 ? 53 LYS L NZ 1 ATOM 392 N N . ARG A 1 56 ? 49.372 5.135 181.623 1.00 62.74 ? 54 ARG L N 1 ATOM 393 C CA . ARG A 1 56 ? 50.234 6.303 181.459 1.00 65.60 ? 54 ARG L CA 1 ATOM 394 C C . ARG A 1 56 ? 51.277 6.127 180.356 1.00 72.03 ? 54 ARG L C 1 ATOM 395 O O . ARG A 1 56 ? 51.968 5.100 180.347 1.00 72.11 ? 54 ARG L O 1 ATOM 396 C CB . ARG A 1 56 ? 50.810 6.883 182.792 1.00 68.33 ? 54 ARG L CB 1 ATOM 397 C CG . ARG A 1 56 ? 52.111 6.256 183.334 1.00 80.69 ? 54 ARG L CG 1 ATOM 398 C CD . ARG A 1 56 ? 52.467 6.697 184.752 1.00 83.67 ? 54 ARG L CD 1 ATOM 399 N NE . ARG A 1 56 ? 51.388 6.369 185.683 1.00 90.05 ? 54 ARG L NE 1 ATOM 400 C CZ . ARG A 1 56 ? 51.273 5.213 186.331 1.00 98.88 ? 54 ARG L CZ 1 ATOM 401 N NH1 . ARG A 1 56 ? 52.205 4.276 186.203 1.00 79.62 ? 54 ARG L NH1 1 ATOM 402 N NH2 . ARG A 1 56 ? 50.232 4.993 187.126 1.00 81.67 ? 54 ARG L NH2 1 ATOM 403 N N . PRO A 1 57 ? 51.423 7.106 179.421 1.00 69.31 ? 55 PRO L N 1 ATOM 404 C CA . PRO A 1 57 ? 52.486 6.997 178.407 1.00 69.18 ? 55 PRO L CA 1 ATOM 405 C C . PRO A 1 57 ? 53.847 7.219 179.064 1.00 77.76 ? 55 PRO L C 1 ATOM 406 O O . PRO A 1 57 ? 53.932 7.590 180.248 1.00 78.10 ? 55 PRO L O 1 ATOM 407 C CB . PRO A 1 57 ? 52.161 8.117 177.418 1.00 70.40 ? 55 PRO L CB 1 ATOM 408 C CG . PRO A 1 57 ? 50.833 8.644 177.824 1.00 74.81 ? 55 PRO L CG 1 ATOM 409 C CD . PRO A 1 57 ? 50.704 8.381 179.276 1.00 70.83 ? 55 PRO L CD 1 ATOM 410 N N . SER A 1 58 ? 54.913 6.946 178.309 1.00 77.02 ? 56 SER L N 1 ATOM 411 C CA . SER A 1 58 ? 56.295 7.093 178.765 1.00 78.17 ? 56 SER L CA 1 ATOM 412 C C . SER A 1 58 ? 56.603 8.541 179.170 1.00 85.55 ? 56 SER L C 1 ATOM 413 O O . SER A 1 58 ? 56.062 9.486 178.573 1.00 85.99 ? 56 SER L O 1 ATOM 414 C CB . SER A 1 58 ? 57.248 6.673 177.651 1.00 81.20 ? 56 SER L CB 1 ATOM 415 O OG . SER A 1 58 ? 57.032 7.470 176.495 1.00 89.03 ? 56 SER L OG 1 ATOM 416 N N . GLY A 1 59 ? 57.466 8.693 180.176 1.00 83.54 ? 57 GLY L N 1 ATOM 417 C CA . GLY A 1 59 ? 57.931 9.995 180.657 1.00 84.62 ? 57 GLY L CA 1 ATOM 418 C C . GLY A 1 59 ? 56.943 10.788 181.487 1.00 88.92 ? 57 GLY L C 1 ATOM 419 O O . GLY A 1 59 ? 57.247 11.910 181.917 1.00 91.00 ? 57 GLY L O 1 ATOM 420 N N . VAL A 1 60 ? 55.744 10.220 181.690 1.00 82.02 ? 58 VAL L N 1 ATOM 421 C CA . VAL A 1 60 ? 54.695 10.797 182.504 1.00 80.07 ? 58 VAL L CA 1 ATOM 422 C C . VAL A 1 60 ? 54.865 10.138 183.860 1.00 80.66 ? 58 VAL L C 1 ATOM 423 O O . VAL A 1 60 ? 54.969 8.905 183.941 1.00 79.54 ? 58 VAL L O 1 ATOM 424 C CB . VAL A 1 60 ? 53.300 10.567 181.876 1.00 83.14 ? 58 VAL L CB 1 ATOM 425 C CG1 . VAL A 1 60 ? 52.191 10.779 182.901 1.00 83.42 ? 58 VAL L CG1 1 ATOM 426 C CG2 . VAL A 1 60 ? 53.093 11.481 180.673 1.00 83.05 ? 58 VAL L CG2 1 ATOM 427 N N . SER A 1 61 ? 54.949 10.970 184.911 1.00 75.68 ? 59 SER L N 1 ATOM 428 C CA . SER A 1 61 ? 55.128 10.555 186.302 1.00 74.02 ? 59 SER L CA 1 ATOM 429 C C . SER A 1 61 ? 54.085 9.554 186.782 1.00 76.59 ? 59 SER L C 1 ATOM 430 O O . SER A 1 61 ? 52.917 9.633 186.405 1.00 75.34 ? 59 SER L O 1 ATOM 431 C CB . SER A 1 61 ? 55.129 11.770 187.219 1.00 75.98 ? 59 SER L CB 1 ATOM 432 O OG . SER A 1 61 ? 55.555 11.402 188.517 1.00 80.43 ? 59 SER L OG 1 ATOM 433 N N . ASN A 1 62 ? 54.518 8.627 187.642 1.00 73.43 ? 60 ASN L N 1 ATOM 434 C CA . ASN A 1 62 ? 53.655 7.614 188.259 1.00 72.73 ? 60 ASN L CA 1 ATOM 435 C C . ASN A 1 62 ? 52.718 8.206 189.338 1.00 74.11 ? 60 ASN L C 1 ATOM 436 O O . ASN A 1 62 ? 51.918 7.475 189.941 1.00 73.98 ? 60 ASN L O 1 ATOM 437 C CB . ASN A 1 62 ? 54.455 6.387 188.764 1.00 75.85 ? 60 ASN L CB 1 ATOM 438 C CG . ASN A 1 62 ? 55.743 6.671 189.516 1.00 108.83 ? 60 ASN L CG 1 ATOM 439 O OD1 . ASN A 1 62 ? 55.922 6.217 190.661 1.00 98.99 ? 60 ASN L OD1 1 ATOM 440 N ND2 . ASN A 1 62 ? 56.717 7.324 188.851 1.00 103.94 ? 60 ASN L ND2 1 ATOM 441 N N . ARG A 1 63 ? 52.786 9.540 189.537 1.00 68.45 ? 61 ARG L N 1 ATOM 442 C CA . ARG A 1 63 ? 51.915 10.263 190.468 1.00 67.92 ? 61 ARG L CA 1 ATOM 443 C C . ARG A 1 63 ? 50.561 10.530 189.816 1.00 71.31 ? 61 ARG L C 1 ATOM 444 O O . ARG A 1 63 ? 49.643 11.006 190.487 1.00 72.42 ? 61 ARG L O 1 ATOM 445 C CB . ARG A 1 63 ? 52.540 11.579 190.931 1.00 65.93 ? 61 ARG L CB 1 ATOM 446 C CG . ARG A 1 63 ? 53.881 11.412 191.625 1.00 64.67 ? 61 ARG L CG 1 ATOM 447 C CD . ARG A 1 63 ? 54.508 12.740 192.005 1.00 62.73 ? 61 ARG L CD 1 ATOM 448 N NE . ARG A 1 63 ? 54.711 13.662 190.879 1.00 67.36 ? 61 ARG L NE 1 ATOM 449 C CZ . ARG A 1 63 ? 53.935 14.713 190.621 1.00 76.91 ? 61 ARG L CZ 1 ATOM 450 N NH1 . ARG A 1 63 ? 52.874 14.968 191.382 1.00 58.77 ? 61 ARG L NH1 1 ATOM 451 N NH2 . ARG A 1 63 ? 54.212 15.514 189.600 1.00 58.79 ? 61 ARG L NH2 1 ATOM 452 N N . PHE A 1 64 ? 50.438 10.216 188.511 1.00 64.99 ? 62 PHE L N 1 ATOM 453 C CA . PHE A 1 64 ? 49.190 10.330 187.757 1.00 63.15 ? 62 PHE L CA 1 ATOM 454 C C . PHE A 1 64 ? 48.545 8.947 187.618 1.00 62.43 ? 62 PHE L C 1 ATOM 455 O O . PHE A 1 64 ? 49.220 7.951 187.327 1.00 60.14 ? 62 PHE L O 1 ATOM 456 C CB . PHE A 1 64 ? 49.419 10.949 186.381 1.00 64.30 ? 62 PHE L CB 1 ATOM 457 C CG . PHE A 1 64 ? 49.773 12.409 186.427 1.00 66.15 ? 62 PHE L CG 1 ATOM 458 C CD1 . PHE A 1 64 ? 48.821 13.379 186.152 1.00 69.92 ? 62 PHE L CD1 1 ATOM 459 C CD2 . PHE A 1 64 ? 51.078 12.818 186.679 1.00 67.73 ? 62 PHE L CD2 1 ATOM 460 C CE1 . PHE A 1 64 ? 49.165 14.738 186.136 1.00 71.24 ? 62 PHE L CE1 1 ATOM 461 C CE2 . PHE A 1 64 ? 51.413 14.176 186.690 1.00 70.88 ? 62 PHE L CE2 1 ATOM 462 C CZ . PHE A 1 64 ? 50.450 15.127 186.431 1.00 69.64 ? 62 PHE L CZ 1 ATOM 463 N N . SER A 1 65 ? 47.242 8.896 187.861 1.00 56.78 ? 63 SER L N 1 ATOM 464 C CA . SER A 1 65 ? 46.489 7.671 187.756 1.00 55.40 ? 63 SER L CA 1 ATOM 465 C C . SER A 1 65 ? 45.154 7.982 187.138 1.00 56.95 ? 63 SER L C 1 ATOM 466 O O . SER A 1 65 ? 44.673 9.115 187.235 1.00 56.40 ? 63 SER L O 1 ATOM 467 C CB . SER A 1 65 ? 46.320 7.025 189.130 1.00 60.21 ? 63 SER L CB 1 ATOM 468 O OG . SER A 1 65 ? 45.501 7.796 189.991 1.00 72.47 ? 63 SER L OG 1 ATOM 469 N N . GLY A 1 66 ? 44.574 6.968 186.518 1.00 52.81 ? 64 GLY L N 1 ATOM 470 C CA . GLY A 1 66 ? 43.265 7.056 185.894 1.00 53.53 ? 64 GLY L CA 1 ATOM 471 C C . GLY A 1 66 ? 42.275 6.044 186.420 1.00 59.20 ? 64 GLY L C 1 ATOM 472 O O . GLY A 1 66 ? 42.664 4.984 186.931 1.00 59.14 ? 64 GLY L O 1 ATOM 473 N N . SER A 1 67 ? 40.979 6.386 186.316 1.00 57.47 ? 65 SER L N 1 ATOM 474 C CA . SER A 1 67 ? 39.862 5.553 186.784 1.00 57.94 ? 65 SER L CA 1 ATOM 475 C C . SER A 1 67 ? 38.516 5.935 186.156 1.00 64.32 ? 65 SER L C 1 ATOM 476 O O . SER A 1 67 ? 38.342 7.045 185.649 1.00 64.05 ? 65 SER L O 1 ATOM 477 C CB . SER A 1 67 ? 39.743 5.611 188.300 1.00 60.38 ? 65 SER L CB 1 ATOM 478 O OG . SER A 1 67 ? 38.385 5.748 188.694 1.00 71.58 ? 65 SER L OG 1 ATOM 479 N N . LYS A 1 68 ? 37.560 5.004 186.225 1.00 62.60 ? 66 LYS L N 1 ATOM 480 C CA . LYS A 1 68 ? 36.201 5.215 185.747 1.00 64.45 ? 66 LYS L CA 1 ATOM 481 C C . LYS A 1 68 ? 35.192 4.338 186.488 1.00 72.05 ? 66 LYS L C 1 ATOM 482 O O . LYS A 1 68 ? 35.461 3.171 186.808 1.00 72.44 ? 66 LYS L O 1 ATOM 483 C CB . LYS A 1 68 ? 36.067 5.114 184.208 1.00 66.70 ? 66 LYS L CB 1 ATOM 484 C CG . LYS A 1 68 ? 36.037 3.695 183.622 1.00 75.06 ? 66 LYS L CG 1 ATOM 485 C CD . LYS A 1 68 ? 35.561 3.665 182.176 1.00 72.75 ? 66 LYS L CD 1 ATOM 486 C CE . LYS A 1 68 ? 34.187 3.075 182.087 1.00 85.58 ? 66 LYS L CE 1 ATOM 487 N NZ . LYS A 1 68 ? 33.856 2.748 180.683 1.00 102.20 ? 66 LYS L NZ 1 ATOM 488 N N . SER A 1 69 ? 34.048 4.938 186.793 1.00 69.52 ? 67 SER L N 1 ATOM 489 C CA . SER A 1 69 ? 32.921 4.308 187.451 1.00 69.71 ? 67 SER L CA 1 ATOM 490 C C . SER A 1 69 ? 31.703 4.955 186.824 1.00 75.21 ? 67 SER L C 1 ATOM 491 O O . SER A 1 69 ? 31.654 6.185 186.715 1.00 75.79 ? 67 SER L O 1 ATOM 492 C CB . SER A 1 69 ? 32.956 4.577 188.947 1.00 73.45 ? 67 SER L CB 1 ATOM 493 O OG . SER A 1 69 ? 31.761 4.118 189.557 1.00 85.83 ? 67 SER L OG 1 ATOM 494 N N . GLY A 1 70 ? 30.770 4.126 186.359 1.00 71.84 ? 68 GLY L N 1 ATOM 495 C CA . GLY A 1 70 ? 29.547 4.565 185.700 1.00 72.37 ? 68 GLY L CA 1 ATOM 496 C C . GLY A 1 70 ? 29.854 5.457 184.524 1.00 76.05 ? 68 GLY L C 1 ATOM 497 O O . GLY A 1 70 ? 30.625 5.068 183.639 1.00 75.24 ? 68 GLY L O 1 ATOM 498 N N . ASN A 1 71 ? 29.311 6.683 184.559 1.00 73.10 ? 69 ASN L N 1 ATOM 499 C CA . ASN A 1 71 ? 29.516 7.689 183.522 1.00 72.76 ? 69 ASN L CA 1 ATOM 500 C C . ASN A 1 71 ? 30.583 8.704 183.948 1.00 77.28 ? 69 ASN L C 1 ATOM 501 O O . ASN A 1 71 ? 30.808 9.678 183.226 1.00 78.27 ? 69 ASN L O 1 ATOM 502 C CB . ASN A 1 71 ? 28.199 8.418 183.221 1.00 74.24 ? 69 ASN L CB 1 ATOM 503 C CG . ASN A 1 71 ? 27.085 7.601 182.597 1.00 89.45 ? 69 ASN L CG 1 ATOM 504 O OD1 . ASN A 1 71 ? 27.300 6.736 181.725 1.00 85.14 ? 69 ASN L OD1 1 ATOM 505 N ND2 . ASN A 1 71 ? 25.849 7.923 182.994 1.00 71.86 ? 69 ASN L ND2 1 ATOM 506 N N . THR A 1 72 ? 31.249 8.474 185.106 1.00 72.31 ? 70 THR L N 1 ATOM 507 C CA . THR A 1 72 ? 32.274 9.367 185.667 1.00 70.66 ? 70 THR L CA 1 ATOM 508 C C . THR A 1 72 ? 33.730 8.850 185.568 1.00 69.28 ? 70 THR L C 1 ATOM 509 O O . THR A 1 72 ? 34.088 7.838 186.193 1.00 68.00 ? 70 THR L O 1 ATOM 510 C CB . THR A 1 72 ? 31.902 9.735 187.107 1.00 80.16 ? 70 THR L CB 1 ATOM 511 O OG1 . THR A 1 72 ? 30.620 10.352 187.098 1.00 82.75 ? 70 THR L OG1 1 ATOM 512 C CG2 . THR A 1 72 ? 32.919 10.662 187.765 1.00 79.88 ? 70 THR L CG2 1 ATOM 513 N N . ALA A 1 73 ? 34.576 9.607 184.839 1.00 61.42 ? 71 ALA L N 1 ATOM 514 C CA . ALA A 1 73 ? 36.006 9.335 184.720 1.00 58.44 ? 71 ALA L CA 1 ATOM 515 C C . ALA A 1 73 ? 36.766 10.176 185.768 1.00 61.74 ? 71 ALA L C 1 ATOM 516 O O . ALA A 1 73 ? 36.299 11.257 186.137 1.00 62.67 ? 71 ALA L O 1 ATOM 517 C CB . ALA A 1 73 ? 36.486 9.687 183.331 1.00 58.17 ? 71 ALA L CB 1 ATOM 518 N N . SER A 1 74 ? 37.924 9.689 186.259 1.00 56.15 ? 72 SER L N 1 ATOM 519 C CA . SER A 1 74 ? 38.686 10.430 187.269 1.00 55.48 ? 72 SER L CA 1 ATOM 520 C C . SER A 1 74 ? 40.209 10.402 187.107 1.00 57.10 ? 72 SER L C 1 ATOM 521 O O . SER A 1 74 ? 40.793 9.331 186.970 1.00 57.19 ? 72 SER L O 1 ATOM 522 C CB . SER A 1 74 ? 38.294 9.977 188.669 1.00 59.20 ? 72 SER L CB 1 ATOM 523 O OG . SER A 1 74 ? 36.895 9.752 188.753 1.00 71.16 ? 72 SER L OG 1 ATOM 524 N N . LEU A 1 75 ? 40.845 11.588 187.133 1.00 51.66 ? 73 LEU L N 1 ATOM 525 C CA . LEU A 1 75 ? 42.293 11.761 187.081 1.00 49.78 ? 73 LEU L CA 1 ATOM 526 C C . LEU A 1 75 ? 42.797 12.061 188.511 1.00 56.50 ? 73 LEU L C 1 ATOM 527 O O . LEU A 1 75 ? 42.313 12.998 189.183 1.00 55.42 ? 73 LEU L O 1 ATOM 528 C CB . LEU A 1 75 ? 42.684 12.891 186.130 1.00 49.66 ? 73 LEU L CB 1 ATOM 529 C CG . LEU A 1 75 ? 44.171 13.244 186.117 1.00 54.50 ? 73 LEU L CG 1 ATOM 530 C CD1 . LEU A 1 75 ? 44.979 12.302 185.244 1.00 53.34 ? 73 LEU L CD1 1 ATOM 531 C CD2 . LEU A 1 75 ? 44.401 14.683 185.713 1.00 59.03 ? 73 LEU L CD2 1 ATOM 532 N N . THR A 1 76 ? 43.758 11.239 188.978 1.00 53.86 ? 74 THR L N 1 ATOM 533 C CA . THR A 1 76 ? 44.293 11.406 190.320 1.00 53.60 ? 74 THR L CA 1 ATOM 534 C C . THR A 1 76 ? 45.774 11.722 190.337 1.00 57.85 ? 74 THR L C 1 ATOM 535 O O . THR A 1 76 ? 46.606 10.836 190.147 1.00 57.70 ? 74 THR L O 1 ATOM 536 C CB . THR A 1 76 ? 43.813 10.288 191.285 1.00 51.93 ? 74 THR L CB 1 ATOM 537 O OG1 . THR A 1 76 ? 42.386 10.297 191.363 1.00 49.20 ? 74 THR L OG1 1 ATOM 538 C CG2 . THR A 1 76 ? 44.376 10.447 192.692 1.00 44.68 ? 74 THR L CG2 1 ATOM 539 N N . ILE A 1 77 ? 46.090 12.983 190.591 1.00 54.70 ? 75 ILE L N 1 ATOM 540 C CA . ILE A 1 77 ? 47.460 13.454 190.721 1.00 55.17 ? 75 ILE L CA 1 ATOM 541 C C . ILE A 1 77 ? 47.790 13.389 192.192 1.00 59.67 ? 75 ILE L C 1 ATOM 542 O O . ILE A 1 77 ? 47.228 14.176 192.947 1.00 61.91 ? 75 ILE L O 1 ATOM 543 C CB . ILE A 1 77 ? 47.628 14.924 190.223 1.00 59.88 ? 75 ILE L CB 1 ATOM 544 C CG1 . ILE A 1 77 ? 47.052 15.146 188.803 1.00 59.95 ? 75 ILE L CG1 1 ATOM 545 C CG2 . ILE A 1 77 ? 49.099 15.395 190.347 1.00 61.47 ? 75 ILE L CG2 1 ATOM 546 C CD1 . ILE A 1 77 ? 47.011 16.551 188.355 1.00 59.83 ? 75 ILE L CD1 1 ATOM 547 N N . SER A 1 78 ? 48.695 12.491 192.615 1.00 54.87 ? 76 SER L N 1 ATOM 548 C CA . SER A 1 78 ? 49.131 12.422 194.027 1.00 54.14 ? 76 SER L CA 1 ATOM 549 C C . SER A 1 78 ? 50.460 13.174 194.147 1.00 61.00 ? 76 SER L C 1 ATOM 550 O O . SER A 1 78 ? 51.030 13.569 193.127 1.00 62.55 ? 76 SER L O 1 ATOM 551 C CB . SER A 1 78 ? 49.292 10.977 194.492 1.00 53.19 ? 76 SER L CB 1 ATOM 552 O OG . SER A 1 78 ? 50.565 10.452 194.159 1.00 56.93 ? 76 SER L OG 1 ATOM 553 N N . GLY A 1 79 ? 50.917 13.377 195.376 1.00 57.65 ? 77 GLY L N 1 ATOM 554 C CA . GLY A 1 79 ? 52.175 14.036 195.696 1.00 58.16 ? 77 GLY L CA 1 ATOM 555 C C . GLY A 1 79 ? 52.394 15.327 194.961 1.00 65.89 ? 77 GLY L C 1 ATOM 556 O O . GLY A 1 79 ? 53.464 15.526 194.381 1.00 66.15 ? 77 GLY L O 1 ATOM 557 N N . LEU A 1 80 ? 51.362 16.193 194.953 1.00 65.61 ? 78 LEU L N 1 ATOM 558 C CA . LEU A 1 80 ? 51.359 17.483 194.257 1.00 67.62 ? 78 LEU L CA 1 ATOM 559 C C . LEU A 1 80 ? 52.662 18.264 194.357 1.00 74.27 ? 78 LEU L C 1 ATOM 560 O O . LEU A 1 80 ? 53.258 18.364 195.443 1.00 75.49 ? 78 LEU L O 1 ATOM 561 C CB . LEU A 1 80 ? 50.175 18.343 194.688 1.00 68.78 ? 78 LEU L CB 1 ATOM 562 C CG . LEU A 1 80 ? 49.065 18.456 193.669 1.00 73.49 ? 78 LEU L CG 1 ATOM 563 C CD1 . LEU A 1 80 ? 47.738 18.600 194.352 1.00 75.11 ? 78 LEU L CD1 1 ATOM 564 C CD2 . LEU A 1 80 ? 49.288 19.631 192.776 1.00 76.30 ? 78 LEU L CD2 1 ATOM 565 N N . GLN A 1 81 ? 53.111 18.772 193.198 1.00 70.55 ? 79 GLN L N 1 ATOM 566 C CA . GLN A 1 81 ? 54.348 19.526 192.986 1.00 71.49 ? 79 GLN L CA 1 ATOM 567 C C . GLN A 1 81 ? 54.043 20.805 192.210 1.00 78.92 ? 79 GLN L C 1 ATOM 568 O O . GLN A 1 81 ? 52.941 20.929 191.687 1.00 79.55 ? 79 GLN L O 1 ATOM 569 C CB . GLN A 1 81 ? 55.341 18.679 192.179 1.00 71.86 ? 79 GLN L CB 1 ATOM 570 C CG . GLN A 1 81 ? 55.852 17.427 192.871 1.00 79.66 ? 79 GLN L CG 1 ATOM 571 C CD . GLN A 1 81 ? 57.015 16.870 192.097 1.00 103.02 ? 79 GLN L CD 1 ATOM 572 O OE1 . GLN A 1 81 ? 56.870 16.395 190.960 1.00 102.17 ? 79 GLN L OE1 1 ATOM 573 N NE2 . GLN A 1 81 ? 58.206 16.955 192.677 1.00 94.27 ? 79 GLN L NE2 1 ATOM 574 N N . ALA A 1 82 ? 55.009 21.730 192.090 1.00 77.72 ? 80 ALA L N 1 ATOM 575 C CA . ALA A 1 82 ? 54.773 22.997 191.395 1.00 80.20 ? 80 ALA L CA 1 ATOM 576 C C . ALA A 1 82 ? 54.399 22.858 189.906 1.00 86.31 ? 80 ALA L C 1 ATOM 577 O O . ALA A 1 82 ? 53.462 23.528 189.451 1.00 87.58 ? 80 ALA L O 1 ATOM 578 C CB . ALA A 1 82 ? 55.956 23.946 191.576 1.00 82.26 ? 80 ALA L CB 1 ATOM 579 N N . GLU A 1 83 ? 55.104 21.979 189.157 1.00 81.56 ? 81 GLU L N 1 ATOM 580 C CA . GLU A 1 83 ? 54.848 21.778 187.725 1.00 80.87 ? 81 GLU L CA 1 ATOM 581 C C . GLU A 1 83 ? 53.428 21.322 187.405 1.00 83.34 ? 81 GLU L C 1 ATOM 582 O O . GLU A 1 83 ? 52.973 21.464 186.264 1.00 83.42 ? 81 GLU L O 1 ATOM 583 C CB . GLU A 1 83 ? 55.887 20.835 187.082 1.00 81.56 ? 81 GLU L CB 1 ATOM 584 C CG . GLU A 1 83 ? 55.845 19.385 187.532 1.00 93.86 ? 81 GLU L CG 1 ATOM 585 C CD . GLU A 1 83 ? 57.029 18.924 188.362 1.00 124.45 ? 81 GLU L CD 1 ATOM 586 O OE1 . GLU A 1 83 ? 57.408 17.737 188.225 1.00 126.21 ? 81 GLU L OE1 1 ATOM 587 O OE2 . GLU A 1 83 ? 57.567 19.734 189.156 1.00 118.54 ? 81 GLU L OE2 1 ATOM 588 N N . ASP A 1 84 ? 52.733 20.768 188.418 1.00 77.78 ? 82 ASP L N 1 ATOM 589 C CA . ASP A 1 84 ? 51.374 20.257 188.277 1.00 75.65 ? 82 ASP L CA 1 ATOM 590 C C . ASP A 1 84 ? 50.310 21.335 188.090 1.00 78.45 ? 82 ASP L C 1 ATOM 591 O O . ASP A 1 84 ? 49.223 21.017 187.608 1.00 77.17 ? 82 ASP L O 1 ATOM 592 C CB . ASP A 1 84 ? 51.045 19.269 189.400 1.00 75.82 ? 82 ASP L CB 1 ATOM 593 C CG . ASP A 1 84 ? 51.935 18.039 189.379 1.00 84.06 ? 82 ASP L CG 1 ATOM 594 O OD1 . ASP A 1 84 ? 52.279 17.541 190.463 1.00 85.09 ? 82 ASP L OD1 1 ATOM 595 O OD2 . ASP A 1 84 ? 52.311 17.592 188.270 1.00 90.04 ? 82 ASP L OD2 1 ATOM 596 N N . GLU A 1 85 ? 50.643 22.615 188.413 1.00 74.72 ? 83 GLU L N 1 ATOM 597 C CA . GLU A 1 85 ? 49.740 23.756 188.267 1.00 75.07 ? 83 GLU L CA 1 ATOM 598 C C . GLU A 1 85 ? 49.462 23.953 186.802 1.00 77.75 ? 83 GLU L C 1 ATOM 599 O O . GLU A 1 85 ? 50.369 24.294 186.034 1.00 78.36 ? 83 GLU L O 1 ATOM 600 C CB . GLU A 1 85 ? 50.354 25.027 188.871 1.00 77.97 ? 83 GLU L CB 1 ATOM 601 C CG . GLU A 1 85 ? 49.389 26.192 189.024 1.00 87.68 ? 83 GLU L CG 1 ATOM 602 C CD . GLU A 1 85 ? 49.966 27.299 189.885 1.00 109.13 ? 83 GLU L CD 1 ATOM 603 O OE1 . GLU A 1 85 ? 51.042 27.825 189.516 1.00 117.19 ? 83 GLU L OE1 1 ATOM 604 O OE2 . GLU A 1 85 ? 49.375 27.614 190.945 1.00 91.98 ? 83 GLU L OE2 1 ATOM 605 N N . GLY A 1 86 ? 48.224 23.689 186.415 1.00 71.80 ? 84 GLY L N 1 ATOM 606 C CA . GLY A 1 86 ? 47.825 23.834 185.026 1.00 70.78 ? 84 GLY L CA 1 ATOM 607 C C . GLY A 1 86 ? 46.342 23.714 184.806 1.00 73.69 ? 84 GLY L C 1 ATOM 608 O O . GLY A 1 86 ? 45.554 23.721 185.757 1.00 72.03 ? 84 GLY L O 1 ATOM 609 N N . ASP A 1 87 ? 45.975 23.620 183.527 1.00 72.19 ? 85 ASP L N 1 ATOM 610 C CA . ASP A 1 87 ? 44.618 23.454 183.037 1.00 73.45 ? 85 ASP L CA 1 ATOM 611 C C . ASP A 1 87 ? 44.498 22.005 182.569 1.00 75.76 ? 85 ASP L C 1 ATOM 612 O O . ASP A 1 87 ? 45.347 21.519 181.810 1.00 75.14 ? 85 ASP L O 1 ATOM 613 C CB . ASP A 1 87 ? 44.335 24.439 181.897 1.00 77.60 ? 85 ASP L CB 1 ATOM 614 C CG . ASP A 1 87 ? 43.317 25.500 182.276 1.00 98.58 ? 85 ASP L CG 1 ATOM 615 O OD1 . ASP A 1 87 ? 42.151 25.391 181.821 1.00 101.90 ? 85 ASP L OD1 1 ATOM 616 O OD2 . ASP A 1 87 ? 43.683 26.441 183.039 1.00 104.41 ? 85 ASP L OD2 1 ATOM 617 N N . TYR A 1 88 ? 43.492 21.290 183.089 1.00 69.98 ? 86 TYR L N 1 ATOM 618 C CA . TYR A 1 88 ? 43.311 19.881 182.781 1.00 66.70 ? 86 TYR L CA 1 ATOM 619 C C . TYR A 1 88 ? 42.036 19.613 181.990 1.00 71.20 ? 86 TYR L C 1 ATOM 620 O O . TYR A 1 88 ? 40.995 20.201 182.286 1.00 72.51 ? 86 TYR L O 1 ATOM 621 C CB . TYR A 1 88 ? 43.398 19.063 184.081 1.00 65.42 ? 86 TYR L CB 1 ATOM 622 C CG . TYR A 1 88 ? 44.804 19.018 184.655 1.00 63.32 ? 86 TYR L CG 1 ATOM 623 C CD1 . TYR A 1 88 ? 45.693 18.004 184.301 1.00 63.92 ? 86 TYR L CD1 1 ATOM 624 C CD2 . TYR A 1 88 ? 45.252 19.999 185.531 1.00 62.76 ? 86 TYR L CD2 1 ATOM 625 C CE1 . TYR A 1 88 ? 46.996 17.977 184.798 1.00 62.43 ? 86 TYR L CE1 1 ATOM 626 C CE2 . TYR A 1 88 ? 46.549 19.976 186.038 1.00 62.17 ? 86 TYR L CE2 1 ATOM 627 C CZ . TYR A 1 88 ? 47.425 18.978 185.650 1.00 65.90 ? 86 TYR L CZ 1 ATOM 628 O OH . TYR A 1 88 ? 48.717 18.970 186.111 1.00 66.06 ? 86 TYR L OH 1 ATOM 629 N N . TYR A 1 89 ? 42.127 18.745 180.969 1.00 66.62 ? 87 TYR L N 1 ATOM 630 C CA . TYR A 1 89 ? 40.992 18.413 180.109 1.00 66.84 ? 87 TYR L CA 1 ATOM 631 C C . TYR A 1 89 ? 40.901 16.924 179.824 1.00 67.95 ? 87 TYR L C 1 ATOM 632 O O . TYR A 1 89 ? 41.915 16.285 179.519 1.00 64.77 ? 87 TYR L O 1 ATOM 633 C CB . TYR A 1 89 ? 41.088 19.145 178.748 1.00 69.46 ? 87 TYR L CB 1 ATOM 634 C CG . TYR A 1 89 ? 41.218 20.658 178.779 1.00 73.31 ? 87 TYR L CG 1 ATOM 635 C CD1 . TYR A 1 89 ? 40.092 21.475 178.694 1.00 77.01 ? 87 TYR L CD1 1 ATOM 636 C CD2 . TYR A 1 89 ? 42.469 21.271 178.746 1.00 74.13 ? 87 TYR L CD2 1 ATOM 637 C CE1 . TYR A 1 89 ? 40.206 22.869 178.671 1.00 80.46 ? 87 TYR L CE1 1 ATOM 638 C CE2 . TYR A 1 89 ? 42.597 22.662 178.721 1.00 76.92 ? 87 TYR L CE2 1 ATOM 639 C CZ . TYR A 1 89 ? 41.463 23.460 178.677 1.00 86.53 ? 87 TYR L CZ 1 ATOM 640 O OH . TYR A 1 89 ? 41.590 24.834 178.649 1.00 86.54 ? 87 TYR L OH 1 ATOM 641 N N . CYS A 1 90 ? 39.664 16.395 179.844 1.00 66.30 ? 88 CYS L N 1 ATOM 642 C CA . CYS A 1 90 ? 39.365 14.997 179.512 1.00 65.98 ? 88 CYS L CA 1 ATOM 643 C C . CYS A 1 90 ? 38.743 14.888 178.136 1.00 69.82 ? 88 CYS L C 1 ATOM 644 O O . CYS A 1 90 ? 37.960 15.751 177.718 1.00 69.84 ? 88 CYS L O 1 ATOM 645 C CB . CYS A 1 90 ? 38.497 14.312 180.568 1.00 66.99 ? 88 CYS L CB 1 ATOM 646 S SG . CYS A 1 90 ? 36.816 14.971 180.691 1.00 72.87 ? 88 CYS L SG 1 ATOM 647 N N . LYS A 1 91 ? 39.079 13.797 177.453 1.00 65.94 ? 89 LYS L N 1 ATOM 648 C CA . LYS A 1 91 ? 38.624 13.455 176.113 1.00 65.92 ? 89 LYS L CA 1 ATOM 649 C C . LYS A 1 91 ? 38.125 11.997 176.162 1.00 71.84 ? 89 LYS L C 1 ATOM 650 O O . LYS A 1 91 ? 38.685 11.177 176.901 1.00 69.67 ? 89 LYS L O 1 ATOM 651 C CB . LYS A 1 91 ? 39.824 13.622 175.144 1.00 66.93 ? 89 LYS L CB 1 ATOM 652 C CG . LYS A 1 91 ? 39.635 13.243 173.675 1.00 73.28 ? 89 LYS L CG 1 ATOM 653 C CD . LYS A 1 91 ? 41.009 13.211 172.968 1.00 81.39 ? 89 LYS L CD 1 ATOM 654 C CE . LYS A 1 91 ? 40.989 12.856 171.494 1.00 98.00 ? 89 LYS L CE 1 ATOM 655 N NZ . LYS A 1 91 ? 40.893 14.045 170.580 1.00 108.07 ? 89 LYS L NZ 1 ATOM 656 N N . SER A 1 92 ? 37.052 11.691 175.407 1.00 71.07 ? 90 SER L N 1 ATOM 657 C CA . SER A 1 92 ? 36.533 10.327 175.269 1.00 70.91 ? 90 SER L CA 1 ATOM 658 C C . SER A 1 92 ? 36.146 10.032 173.831 1.00 76.45 ? 90 SER L C 1 ATOM 659 O O . SER A 1 92 ? 35.624 10.910 173.143 1.00 76.58 ? 90 SER L O 1 ATOM 660 C CB . SER A 1 92 ? 35.335 10.069 176.173 1.00 73.83 ? 90 SER L CB 1 ATOM 661 O OG . SER A 1 92 ? 34.923 8.714 176.042 1.00 80.25 ? 90 SER L OG 1 ATOM 662 N N . LEU A 1 93 ? 36.370 8.781 173.399 1.00 73.50 ? 91 LEU L N 1 ATOM 663 C CA . LEU A 1 93 ? 35.948 8.302 172.085 1.00 73.99 ? 91 LEU L CA 1 ATOM 664 C C . LEU A 1 93 ? 34.506 7.814 172.285 1.00 81.38 ? 91 LEU L C 1 ATOM 665 O O . LEU A 1 93 ? 34.214 7.283 173.358 1.00 81.57 ? 91 LEU L O 1 ATOM 666 C CB . LEU A 1 93 ? 36.878 7.181 171.554 1.00 72.67 ? 91 LEU L CB 1 ATOM 667 C CG . LEU A 1 93 ? 38.403 7.494 171.471 1.00 76.33 ? 91 LEU L CG 1 ATOM 668 C CD1 . LEU A 1 93 ? 39.196 6.285 171.074 1.00 75.44 ? 91 LEU L CD1 1 ATOM 669 C CD2 . LEU A 1 93 ? 38.719 8.584 170.484 1.00 78.37 ? 91 LEU L CD2 1 ATOM 670 N N . THR A 1 94 ? 33.593 8.068 171.314 1.00 80.39 ? 92 THR L N 1 ATOM 671 C CA . THR A 1 94 ? 32.170 7.701 171.442 1.00 81.83 ? 92 THR L CA 1 ATOM 672 C C . THR A 1 94 ? 31.812 6.369 170.780 1.00 86.34 ? 92 THR L C 1 ATOM 673 O O . THR A 1 94 ? 32.705 5.593 170.448 1.00 84.25 ? 92 THR L O 1 ATOM 674 C CB . THR A 1 94 ? 31.224 8.849 170.992 1.00 93.47 ? 92 THR L CB 1 ATOM 675 O OG1 . THR A 1 94 ? 30.971 8.775 169.583 1.00 93.84 ? 92 THR L OG1 1 ATOM 676 C CG2 . THR A 1 94 ? 31.694 10.238 171.430 1.00 93.12 ? 92 THR L CG2 1 ATOM 677 N N . SER A 1 95 ? 30.493 6.117 170.585 1.00 85.74 ? 93 SER L N 1 ATOM 678 C CA . SER A 1 95 ? 29.945 4.931 169.907 1.00 85.79 ? 93 SER L CA 1 ATOM 679 C C . SER A 1 95 ? 30.294 4.977 168.436 1.00 87.85 ? 93 SER L C 1 ATOM 680 O O . SER A 1 95 ? 30.378 3.932 167.788 1.00 86.54 ? 93 SER L O 1 ATOM 681 C CB . SER A 1 95 ? 28.426 4.858 170.066 1.00 91.74 ? 93 SER L CB 1 ATOM 682 O OG . SER A 1 95 ? 27.752 5.885 169.353 1.00 103.45 ? 93 SER L OG 1 ATOM 683 N N . THR A 1 96 ? 30.498 6.208 167.925 1.00 84.31 ? 94 THR L N 1 ATOM 684 C CA . THR A 1 96 ? 30.800 6.531 166.534 1.00 83.30 ? 94 THR L CA 1 ATOM 685 C C . THR A 1 96 ? 32.289 6.830 166.331 1.00 84.87 ? 94 THR L C 1 ATOM 686 O O . THR A 1 96 ? 33.143 6.208 166.959 1.00 83.95 ? 94 THR L O 1 ATOM 687 C CB . THR A 1 96 ? 29.909 7.706 166.091 1.00 93.71 ? 94 THR L CB 1 ATOM 688 O OG1 . THR A 1 96 ? 30.369 8.915 166.708 1.00 94.01 ? 94 THR L OG1 1 ATOM 689 C CG2 . THR A 1 96 ? 28.431 7.477 166.403 1.00 93.92 ? 94 THR L CG2 1 ATOM 690 N N . ARG A 1 97 ? 32.581 7.785 165.448 1.00 80.48 ? 95 ARG L N 1 ATOM 691 C CA . ARG A 1 97 ? 33.916 8.259 165.101 1.00 79.10 ? 95 ARG L CA 1 ATOM 692 C C . ARG A 1 97 ? 34.176 9.604 165.840 1.00 83.42 ? 95 ARG L C 1 ATOM 693 O O . ARG A 1 97 ? 35.334 10.018 166.000 1.00 83.08 ? 95 ARG L O 1 ATOM 694 C CB . ARG A 1 97 ? 34.006 8.429 163.560 1.00 75.80 ? 95 ARG L CB 1 ATOM 695 C CG . ARG A 1 97 ? 35.404 8.723 163.023 1.00 72.21 ? 95 ARG L CG 1 ATOM 696 C CD . ARG A 1 97 ? 36.033 7.550 162.312 1.00 63.13 ? 95 ARG L CD 1 ATOM 697 N NE . ARG A 1 97 ? 36.168 6.353 163.145 1.00 62.77 ? 95 ARG L NE 1 ATOM 698 C CZ . ARG A 1 97 ? 37.331 5.802 163.497 1.00 80.54 ? 95 ARG L CZ 1 ATOM 699 N NH1 . ARG A 1 97 ? 38.482 6.362 163.130 1.00 64.47 ? 95 ARG L NH1 1 ATOM 700 N NH2 . ARG A 1 97 ? 37.352 4.692 164.229 1.00 68.98 ? 95 ARG L NH2 1 ATOM 701 N N . ARG A 1 98 A 33.093 10.278 166.283 1.00 79.80 ? 95 ARG L N 1 ATOM 702 C CA . ARG A 1 98 A 33.196 11.556 166.970 1.00 80.24 ? 95 ARG L CA 1 ATOM 703 C C . ARG A 1 98 A 33.810 11.407 168.365 1.00 84.38 ? 95 ARG L C 1 ATOM 704 O O . ARG A 1 98 A 33.889 10.298 168.920 1.00 83.33 ? 95 ARG L O 1 ATOM 705 C CB . ARG A 1 98 A 31.845 12.297 166.990 1.00 83.17 ? 95 ARG L CB 1 ATOM 706 C CG . ARG A 1 98 A 30.929 11.959 168.172 1.00 102.09 ? 95 ARG L CG 1 ATOM 707 C CD . ARG A 1 98 A 29.658 12.781 168.152 1.00 121.36 ? 95 ARG L CD 1 ATOM 708 N NE . ARG A 1 98 A 29.004 12.819 169.460 1.00 133.93 ? 95 ARG L NE 1 ATOM 709 C CZ . ARG A 1 98 A 28.891 13.911 170.209 1.00 152.50 ? 95 ARG L CZ 1 ATOM 710 N NH1 . ARG A 1 98 A 29.388 15.069 169.789 1.00 139.49 ? 95 ARG L NH1 1 ATOM 711 N NH2 . ARG A 1 98 A 28.274 13.856 171.383 1.00 141.41 ? 95 ARG L NH2 1 ATOM 712 N N . ARG A 1 99 ? 34.276 12.539 168.908 1.00 80.73 ? 96 ARG L N 1 ATOM 713 C CA . ARG A 1 99 ? 34.908 12.638 170.217 1.00 78.85 ? 96 ARG L CA 1 ATOM 714 C C . ARG A 1 99 ? 34.316 13.810 170.978 1.00 82.38 ? 96 ARG L C 1 ATOM 715 O O . ARG A 1 99 ? 33.919 14.817 170.382 1.00 81.65 ? 96 ARG L O 1 ATOM 716 C CB . ARG A 1 99 ? 36.429 12.796 170.061 1.00 76.23 ? 96 ARG L CB 1 ATOM 717 C CG . ARG A 1 99 ? 37.116 11.587 169.426 1.00 78.62 ? 96 ARG L CG 1 ATOM 718 C CD . ARG A 1 99 ? 38.126 11.975 168.370 1.00 88.85 ? 96 ARG L CD 1 ATOM 719 N NE . ARG A 1 99 ? 38.799 10.803 167.801 1.00 96.71 ? 96 ARG L NE 1 ATOM 720 C CZ . ARG A 1 99 ? 40.113 10.586 167.852 1.00 104.34 ? 96 ARG L CZ 1 ATOM 721 N NH1 . ARG A 1 99 ? 40.917 11.467 168.434 1.00 97.40 ? 96 ARG L NH1 1 ATOM 722 N NH2 . ARG A 1 99 ? 40.631 9.489 167.316 1.00 75.83 ? 96 ARG L NH2 1 ATOM 723 N N . VAL A 1 100 ? 34.247 13.659 172.301 1.00 80.29 ? 97 VAL L N 1 ATOM 724 C CA . VAL A 1 100 ? 33.707 14.650 173.242 1.00 81.68 ? 97 VAL L CA 1 ATOM 725 C C . VAL A 1 100 ? 34.795 15.275 174.107 1.00 86.59 ? 97 VAL L C 1 ATOM 726 O O . VAL A 1 100 ? 35.826 14.648 174.370 1.00 84.85 ? 97 VAL L O 1 ATOM 727 C CB . VAL A 1 100 ? 32.542 14.090 174.090 1.00 85.59 ? 97 VAL L CB 1 ATOM 728 C CG1 . VAL A 1 100 ? 31.223 14.189 173.329 1.00 86.16 ? 97 VAL L CG1 1 ATOM 729 C CG2 . VAL A 1 100 ? 32.817 12.653 174.534 1.00 83.99 ? 97 VAL L CG2 1 ATOM 730 N N . PHE A 1 101 ? 34.577 16.520 174.533 1.00 85.83 ? 98 PHE L N 1 ATOM 731 C CA . PHE A 1 101 ? 35.571 17.219 175.343 1.00 86.41 ? 98 PHE L CA 1 ATOM 732 C C . PHE A 1 101 ? 35.043 17.777 176.639 1.00 88.82 ? 98 PHE L C 1 ATOM 733 O O . PHE A 1 101 ? 33.883 18.215 176.726 1.00 89.09 ? 98 PHE L O 1 ATOM 734 C CB . PHE A 1 101 ? 36.312 18.300 174.534 1.00 89.63 ? 98 PHE L CB 1 ATOM 735 C CG . PHE A 1 101 ? 36.874 17.787 173.232 1.00 91.48 ? 98 PHE L CG 1 ATOM 736 C CD1 . PHE A 1 101 ? 36.231 18.053 172.026 1.00 95.78 ? 98 PHE L CD1 1 ATOM 737 C CD2 . PHE A 1 101 ? 38.010 16.983 173.214 1.00 93.53 ? 98 PHE L CD2 1 ATOM 738 C CE1 . PHE A 1 101 ? 36.731 17.550 170.816 1.00 95.85 ? 98 PHE L CE1 1 ATOM 739 C CE2 . PHE A 1 101 ? 38.511 16.477 172.003 1.00 95.99 ? 98 PHE L CE2 1 ATOM 740 C CZ . PHE A 1 101 ? 37.867 16.764 170.813 1.00 94.06 ? 98 PHE L CZ 1 ATOM 741 N N . GLY A 1 102 ? 35.921 17.737 177.637 1.00 83.27 ? 99 GLY L N 1 ATOM 742 C CA . GLY A 1 102 ? 35.667 18.252 178.970 1.00 83.29 ? 99 GLY L CA 1 ATOM 743 C C . GLY A 1 102 ? 35.783 19.759 178.999 1.00 87.68 ? 99 GLY L C 1 ATOM 744 O O . GLY A 1 102 ? 36.618 20.349 178.297 1.00 87.72 ? 99 GLY L O 1 ATOM 745 N N . THR A 1 103 ? 34.930 20.382 179.819 1.00 83.68 ? 100 THR L N 1 ATOM 746 C CA . THR A 1 103 ? 34.844 21.826 180.055 1.00 84.06 ? 100 THR L CA 1 ATOM 747 C C . THR A 1 103 ? 36.209 22.405 180.510 1.00 84.30 ? 100 THR L C 1 ATOM 748 O O . THR A 1 103 ? 36.517 23.558 180.233 1.00 84.65 ? 100 THR L O 1 ATOM 749 C CB . THR A 1 103 ? 33.715 22.097 181.085 1.00 100.18 ? 100 THR L CB 1 ATOM 750 O OG1 . THR A 1 103 ? 33.988 21.402 182.309 1.00 105.45 ? 100 THR L OG1 1 ATOM 751 C CG2 . THR A 1 103 ? 32.336 21.671 180.585 1.00 98.46 ? 100 THR L CG2 1 ATOM 752 N N . GLY A 1 104 ? 37.005 21.581 181.184 1.00 78.21 ? 101 GLY L N 1 ATOM 753 C CA . GLY A 1 104 ? 38.309 21.944 181.714 1.00 77.60 ? 101 GLY L CA 1 ATOM 754 C C . GLY A 1 104 ? 38.302 22.198 183.212 1.00 81.73 ? 101 GLY L C 1 ATOM 755 O O . GLY A 1 104 ? 37.255 22.523 183.792 1.00 82.67 ? 101 GLY L O 1 ATOM 756 N N . THR A 1 105 ? 39.482 22.052 183.847 1.00 76.14 ? 102 THR L N 1 ATOM 757 C CA . THR A 1 105 ? 39.665 22.294 185.276 1.00 76.43 ? 102 THR L CA 1 ATOM 758 C C . THR A 1 105 ? 40.999 23.020 185.533 1.00 80.93 ? 102 THR L C 1 ATOM 759 O O . THR A 1 105 ? 42.050 22.523 185.112 1.00 79.66 ? 102 THR L O 1 ATOM 760 C CB . THR A 1 105 ? 39.483 20.991 186.086 1.00 77.79 ? 102 THR L CB 1 ATOM 761 O OG1 . THR A 1 105 ? 38.200 20.428 185.796 1.00 77.15 ? 102 THR L OG1 1 ATOM 762 C CG2 . THR A 1 105 ? 39.612 21.202 187.583 1.00 70.84 ? 102 THR L CG2 1 ATOM 763 N N . LYS A 1 106 ? 40.947 24.198 186.213 1.00 77.96 ? 103 LYS L N 1 ATOM 764 C CA . LYS A 1 106 ? 42.138 24.985 186.547 1.00 77.55 ? 103 LYS L CA 1 ATOM 765 C C . LYS A 1 106 ? 42.685 24.501 187.867 1.00 80.41 ? 103 LYS L C 1 ATOM 766 O O . LYS A 1 106 ? 42.192 24.906 188.929 1.00 82.36 ? 103 LYS L O 1 ATOM 767 C CB . LYS A 1 106 ? 41.819 26.478 186.613 1.00 80.17 ? 103 LYS L CB 1 ATOM 768 N N . LEU A 1 107 ? 43.685 23.601 187.808 1.00 73.61 ? 104 LEU L N 1 ATOM 769 C CA . LEU A 1 107 ? 44.307 23.058 189.015 1.00 72.07 ? 104 LEU L CA 1 ATOM 770 C C . LEU A 1 107 ? 45.419 23.948 189.547 1.00 76.51 ? 104 LEU L C 1 ATOM 771 O O . LEU A 1 107 ? 46.436 24.147 188.873 1.00 76.76 ? 104 LEU L O 1 ATOM 772 C CB . LEU A 1 107 ? 44.788 21.621 188.837 1.00 69.76 ? 104 LEU L CB 1 ATOM 773 C CG . LEU A 1 107 ? 45.403 21.026 190.081 1.00 73.10 ? 104 LEU L CG 1 ATOM 774 C CD1 . LEU A 1 107 ? 44.406 20.186 190.820 1.00 72.91 ? 104 LEU L CD1 1 ATOM 775 C CD2 . LEU A 1 107 ? 46.676 20.286 189.761 1.00 73.23 ? 104 LEU L CD2 1 ATOM 776 N N . THR A 1 108 ? 45.224 24.456 190.770 1.00 72.47 ? 105 THR L N 1 ATOM 777 C CA . THR A 1 108 ? 46.167 25.356 191.414 1.00 73.30 ? 105 THR L CA 1 ATOM 778 C C . THR A 1 108 ? 46.902 24.714 192.609 1.00 77.50 ? 105 THR L C 1 ATOM 779 O O . THR A 1 108 ? 46.255 24.140 193.491 1.00 75.36 ? 105 THR L O 1 ATOM 780 C CB . THR A 1 108 ? 45.497 26.732 191.711 1.00 80.69 ? 105 THR L CB 1 ATOM 781 O OG1 . THR A 1 108 ? 45.548 27.011 193.111 1.00 84.84 ? 105 THR L OG1 1 ATOM 782 C CG2 . THR A 1 108 ? 44.036 26.827 191.209 1.00 74.91 ? 105 THR L CG2 1 ATOM 783 N N . VAL A 1 109 ? 48.252 24.809 192.629 1.00 75.45 ? 106 VAL L N 1 ATOM 784 C CA . VAL A 1 109 ? 49.070 24.320 193.758 1.00 75.21 ? 106 VAL L CA 1 ATOM 785 C C . VAL A 1 109 ? 49.168 25.510 194.727 1.00 81.10 ? 106 VAL L C 1 ATOM 786 O O . VAL A 1 109 ? 48.810 26.610 194.320 1.00 81.81 ? 106 VAL L O 1 ATOM 787 C CB . VAL A 1 109 ? 50.455 23.737 193.367 1.00 78.10 ? 106 VAL L CB 1 ATOM 788 C CG1 . VAL A 1 109 ? 50.909 22.677 194.376 1.00 76.27 ? 106 VAL L CG1 1 ATOM 789 C CG2 . VAL A 1 109 ? 50.419 23.143 191.971 1.00 77.19 ? 106 VAL L CG2 1 ATOM 790 N N . LEU A 1 110 A 49.557 25.312 196.006 1.00 77.98 ? 106 LEU L N 1 ATOM 791 C CA . LEU A 1 110 A 49.508 26.427 196.950 1.00 79.25 ? 106 LEU L CA 1 ATOM 792 C C . LEU A 1 110 A 50.766 26.869 197.723 1.00 85.54 ? 106 LEU L C 1 ATOM 793 O O . LEU A 1 110 A 50.695 27.912 198.396 1.00 86.96 ? 106 LEU L O 1 ATOM 794 C CB . LEU A 1 110 A 48.245 26.361 197.845 1.00 79.27 ? 106 LEU L CB 1 ATOM 795 C CG . LEU A 1 110 A 46.907 26.674 197.130 1.00 84.01 ? 106 LEU L CG 1 ATOM 796 C CD1 . LEU A 1 110 A 45.828 25.709 197.524 1.00 82.48 ? 106 LEU L CD1 1 ATOM 797 C CD2 . LEU A 1 110 A 46.475 28.133 197.303 1.00 89.18 ? 106 LEU L CD2 1 ATOM 798 N N . GLY A 1 111 ? 51.901 26.164 197.569 1.00 82.17 ? 107 GLY L N 1 ATOM 799 C CA . GLY A 1 111 ? 53.175 26.552 198.198 1.00 83.16 ? 107 GLY L CA 1 ATOM 800 C C . GLY A 1 111 ? 53.531 27.964 197.768 1.00 91.77 ? 107 GLY L C 1 ATOM 801 O O . GLY A 1 111 ? 53.833 28.842 198.591 1.00 90.88 ? 107 GLY L O 1 ATOM 802 N N . GLN A 1 112 ? 53.426 28.158 196.427 1.00 91.62 ? 108 GLN L N 1 ATOM 803 C CA . GLN A 1 112 ? 53.468 29.371 195.624 1.00 93.94 ? 108 GLN L CA 1 ATOM 804 C C . GLN A 1 112 ? 54.197 30.596 196.200 1.00 99.79 ? 108 GLN L C 1 ATOM 805 O O . GLN A 1 112 ? 53.516 31.601 196.442 1.00 101.61 ? 108 GLN L O 1 ATOM 806 C CB . GLN A 1 112 ? 52.014 29.798 195.338 1.00 96.99 ? 108 GLN L CB 1 ATOM 807 C CG . GLN A 1 112 ? 51.152 28.794 194.592 1.00 135.36 ? 108 GLN L CG 1 ATOM 808 C CD . GLN A 1 112 ? 49.842 29.431 194.170 1.00 174.92 ? 108 GLN L CD 1 ATOM 809 O OE1 . GLN A 1 112 ? 48.895 29.542 194.960 1.00 175.12 ? 108 GLN L OE1 1 ATOM 810 N NE2 . GLN A 1 112 ? 49.743 29.842 192.909 1.00 171.79 ? 108 GLN L NE2 1 ATOM 811 N N . PRO A 1 113 ? 55.544 30.624 196.366 1.00 76.69 ? 109 PRO L N 1 ATOM 812 C CA . PRO A 1 113 ? 56.177 31.870 196.849 1.00 74.65 ? 109 PRO L CA 1 ATOM 813 C C . PRO A 1 113 ? 56.165 32.946 195.761 1.00 75.68 ? 109 PRO L C 1 ATOM 814 O O . PRO A 1 113 ? 56.317 32.622 194.578 1.00 74.19 ? 109 PRO L O 1 ATOM 815 C CB . PRO A 1 113 ? 57.614 31.450 197.216 1.00 75.78 ? 109 PRO L CB 1 ATOM 816 C CG . PRO A 1 113 ? 57.676 29.969 197.040 1.00 81.51 ? 109 PRO L CG 1 ATOM 817 C CD . PRO A 1 113 ? 56.553 29.577 196.107 1.00 77.80 ? 109 PRO L CD 1 ATOM 818 N N . LYS A 1 114 ? 55.948 34.220 196.164 1.00 72.07 ? 110 LYS L N 1 ATOM 819 C CA . LYS A 1 114 ? 55.977 35.401 195.286 1.00 71.24 ? 110 LYS L CA 1 ATOM 820 C C . LYS A 1 114 ? 57.387 35.505 194.670 1.00 74.65 ? 110 LYS L C 1 ATOM 821 O O . LYS A 1 114 ? 58.379 35.107 195.297 1.00 72.39 ? 110 LYS L O 1 ATOM 822 C CB . LYS A 1 114 ? 55.616 36.687 196.065 1.00 73.33 ? 110 LYS L CB 1 ATOM 823 C CG . LYS A 1 114 ? 55.291 37.933 195.222 1.00 84.65 ? 110 LYS L CG 1 ATOM 824 C CD . LYS A 1 114 ? 55.081 39.206 196.117 1.00 98.36 ? 110 LYS L CD 1 ATOM 825 C CE . LYS A 1 114 ? 55.187 40.525 195.361 1.00 109.78 ? 110 LYS L CE 1 ATOM 826 N NZ . LYS A 1 114 ? 54.647 41.683 196.132 1.00 112.71 ? 110 LYS L NZ 1 ATOM 827 N N . ALA A 1 115 ? 57.451 35.959 193.411 1.00 72.27 ? 111 ALA L N 1 ATOM 828 C CA . ALA A 1 115 ? 58.695 36.109 192.678 1.00 72.04 ? 111 ALA L CA 1 ATOM 829 C C . ALA A 1 115 ? 58.475 37.232 191.720 1.00 76.21 ? 111 ALA L C 1 ATOM 830 O O . ALA A 1 115 ? 57.760 37.052 190.736 1.00 76.29 ? 111 ALA L O 1 ATOM 831 C CB . ALA A 1 115 ? 59.010 34.828 191.917 1.00 72.72 ? 111 ALA L CB 1 ATOM 832 N N . ALA A 1 116 ? 59.013 38.415 192.031 1.00 72.42 ? 112 ALA L N 1 ATOM 833 C CA . ALA A 1 116 ? 58.852 39.566 191.150 1.00 71.49 ? 112 ALA L CA 1 ATOM 834 C C . ALA A 1 116 ? 59.670 39.370 189.867 1.00 75.68 ? 112 ALA L C 1 ATOM 835 O O . ALA A 1 116 ? 60.729 38.723 189.885 1.00 74.80 ? 112 ALA L O 1 ATOM 836 C CB . ALA A 1 116 ? 59.261 40.842 191.852 1.00 72.25 ? 112 ALA L CB 1 ATOM 837 N N . PRO A 1 117 ? 59.155 39.866 188.724 1.00 72.33 ? 113 PRO L N 1 ATOM 838 C CA . PRO A 1 117 ? 59.871 39.676 187.467 1.00 71.21 ? 113 PRO L CA 1 ATOM 839 C C . PRO A 1 117 ? 61.197 40.409 187.403 1.00 75.72 ? 113 PRO L C 1 ATOM 840 O O . PRO A 1 117 ? 61.367 41.445 188.040 1.00 76.80 ? 113 PRO L O 1 ATOM 841 C CB . PRO A 1 117 ? 58.904 40.263 186.448 1.00 72.75 ? 113 PRO L CB 1 ATOM 842 C CG . PRO A 1 117 ? 58.125 41.276 187.204 1.00 77.46 ? 113 PRO L CG 1 ATOM 843 C CD . PRO A 1 117 ? 57.900 40.619 188.505 1.00 73.84 ? 113 PRO L CD 1 ATOM 844 N N . SER A 1 118 ? 62.115 39.868 186.609 1.00 71.36 ? 114 SER L N 1 ATOM 845 C CA . SER A 1 118 ? 63.411 40.444 186.298 1.00 71.02 ? 114 SER L CA 1 ATOM 846 C C . SER A 1 118 ? 63.300 40.967 184.868 1.00 74.09 ? 114 SER L C 1 ATOM 847 O O . SER A 1 118 ? 63.113 40.210 183.898 1.00 74.07 ? 114 SER L O 1 ATOM 848 C CB . SER A 1 118 ? 64.500 39.390 186.404 1.00 76.24 ? 114 SER L CB 1 ATOM 849 O OG . SER A 1 118 ? 64.235 38.314 185.518 1.00 92.02 ? 114 SER L OG 1 ATOM 850 N N . VAL A 1 119 ? 63.352 42.273 184.752 1.00 69.42 ? 115 VAL L N 1 ATOM 851 C CA . VAL A 1 119 ? 63.172 42.910 183.469 1.00 67.75 ? 115 VAL L CA 1 ATOM 852 C C . VAL A 1 119 ? 64.462 43.228 182.723 1.00 68.14 ? 115 VAL L C 1 ATOM 853 O O . VAL A 1 119 ? 65.447 43.665 183.321 1.00 65.95 ? 115 VAL L O 1 ATOM 854 C CB . VAL A 1 119 ? 62.107 44.021 183.574 1.00 71.98 ? 115 VAL L CB 1 ATOM 855 C CG1 . VAL A 1 119 ? 62.150 44.989 182.405 1.00 72.34 ? 115 VAL L CG1 1 ATOM 856 C CG2 . VAL A 1 119 ? 60.724 43.392 183.696 1.00 71.66 ? 115 VAL L CG2 1 ATOM 857 N N . THR A 1 120 ? 64.458 42.897 181.420 1.00 63.71 ? 116 THR L N 1 ATOM 858 C CA . THR A 1 120 ? 65.573 43.076 180.507 1.00 62.88 ? 116 THR L CA 1 ATOM 859 C C . THR A 1 120 ? 65.000 43.789 179.302 1.00 66.81 ? 116 THR L C 1 ATOM 860 O O . THR A 1 120 ? 64.102 43.257 178.662 1.00 67.51 ? 116 THR L O 1 ATOM 861 C CB . THR A 1 120 ? 66.189 41.700 180.143 1.00 73.46 ? 116 THR L CB 1 ATOM 862 O OG1 . THR A 1 120 ? 66.018 40.716 181.194 1.00 68.81 ? 116 THR L OG1 1 ATOM 863 C CG2 . THR A 1 120 ? 67.639 41.819 179.721 1.00 73.77 ? 116 THR L CG2 1 ATOM 864 N N . LEU A 1 121 ? 65.458 45.017 179.024 1.00 63.75 ? 117 LEU L N 1 ATOM 865 C CA . LEU A 1 121 ? 64.953 45.826 177.900 1.00 62.75 ? 117 LEU L CA 1 ATOM 866 C C . LEU A 1 121 ? 65.933 45.951 176.757 1.00 68.04 ? 117 LEU L C 1 ATOM 867 O O . LEU A 1 121 ? 67.009 46.531 176.911 1.00 67.52 ? 117 LEU L O 1 ATOM 868 C CB . LEU A 1 121 ? 64.426 47.202 178.340 1.00 62.42 ? 117 LEU L CB 1 ATOM 869 C CG . LEU A 1 121 ? 63.764 48.072 177.261 1.00 65.85 ? 117 LEU L CG 1 ATOM 870 C CD1 . LEU A 1 121 ? 62.546 47.402 176.663 1.00 64.03 ? 117 LEU L CD1 1 ATOM 871 C CD2 . LEU A 1 121 ? 63.384 49.436 177.825 1.00 71.43 ? 117 LEU L CD2 1 ATOM 872 N N . PHE A 1 122 ? 65.514 45.447 175.588 1.00 65.97 ? 118 PHE L N 1 ATOM 873 C CA . PHE A 1 122 ? 66.305 45.396 174.370 1.00 65.67 ? 118 PHE L CA 1 ATOM 874 C C . PHE A 1 122 ? 65.994 46.481 173.381 1.00 73.44 ? 118 PHE L C 1 ATOM 875 O O . PHE A 1 122 ? 64.841 46.638 172.982 1.00 73.14 ? 118 PHE L O 1 ATOM 876 C CB . PHE A 1 122 ? 66.131 44.046 173.681 1.00 66.26 ? 118 PHE L CB 1 ATOM 877 C CG . PHE A 1 122 ? 66.802 42.900 174.380 1.00 67.14 ? 118 PHE L CG 1 ATOM 878 C CD1 . PHE A 1 122 ? 66.174 42.241 175.429 1.00 68.45 ? 118 PHE L CD1 1 ATOM 879 C CD2 . PHE A 1 122 ? 68.055 42.457 173.974 1.00 69.82 ? 118 PHE L CD2 1 ATOM 880 C CE1 . PHE A 1 122 ? 66.799 41.181 176.080 1.00 68.66 ? 118 PHE L CE1 1 ATOM 881 C CE2 . PHE A 1 122 ? 68.668 41.373 174.614 1.00 72.07 ? 118 PHE L CE2 1 ATOM 882 C CZ . PHE A 1 122 ? 68.031 40.742 175.660 1.00 68.53 ? 118 PHE L CZ 1 ATOM 883 N N . PRO A 1 123 ? 67.022 47.197 172.890 1.00 73.61 ? 119 PRO L N 1 ATOM 884 C CA . PRO A 1 123 ? 66.766 48.170 171.830 1.00 74.58 ? 119 PRO L CA 1 ATOM 885 C C . PRO A 1 123 ? 66.671 47.385 170.522 1.00 81.52 ? 119 PRO L C 1 ATOM 886 O O . PRO A 1 123 ? 67.052 46.203 170.488 1.00 80.70 ? 119 PRO L O 1 ATOM 887 C CB . PRO A 1 123 ? 68.005 49.064 171.871 1.00 76.65 ? 119 PRO L CB 1 ATOM 888 C CG . PRO A 1 123 ? 69.085 48.203 172.401 1.00 80.70 ? 119 PRO L CG 1 ATOM 889 C CD . PRO A 1 123 ? 68.466 47.107 173.209 1.00 75.78 ? 119 PRO L CD 1 ATOM 890 N N . PRO A 1 124 ? 66.165 47.984 169.437 1.00 81.00 ? 120 PRO L N 1 ATOM 891 C CA . PRO A 1 124 ? 66.110 47.242 168.176 1.00 81.59 ? 120 PRO L CA 1 ATOM 892 C C . PRO A 1 124 ? 67.521 47.064 167.618 1.00 87.91 ? 120 PRO L C 1 ATOM 893 O O . PRO A 1 124 ? 68.348 47.981 167.704 1.00 87.77 ? 120 PRO L O 1 ATOM 894 C CB . PRO A 1 124 ? 65.229 48.127 167.291 1.00 83.63 ? 120 PRO L CB 1 ATOM 895 C CG . PRO A 1 124 ? 64.600 49.135 168.239 1.00 88.01 ? 120 PRO L CG 1 ATOM 896 C CD . PRO A 1 124 ? 65.634 49.345 169.266 1.00 83.41 ? 120 PRO L CD 1 ATOM 897 N N . SER A 1 125 ? 67.806 45.850 167.124 1.00 86.11 ? 121 SER L N 1 ATOM 898 C CA . SER A 1 125 ? 69.093 45.424 166.556 1.00 87.13 ? 121 SER L CA 1 ATOM 899 C C . SER A 1 125 ? 69.427 46.143 165.238 1.00 90.98 ? 121 SER L C 1 ATOM 900 O O . SER A 1 125 ? 68.503 46.407 164.470 1.00 90.67 ? 121 SER L O 1 ATOM 901 C CB . SER A 1 125 ? 69.080 43.909 166.343 1.00 92.02 ? 121 SER L CB 1 ATOM 902 O OG . SER A 1 125 ? 67.896 43.415 165.728 1.00 98.83 ? 121 SER L OG 1 ATOM 903 N N . SER A 1 126 ? 70.731 46.427 164.954 1.00 87.92 ? 122 SER L N 1 ATOM 904 C CA . SER A 1 126 ? 71.148 47.109 163.697 1.00 88.99 ? 122 SER L CA 1 ATOM 905 C C . SER A 1 126 ? 70.718 46.358 162.415 1.00 91.60 ? 122 SER L C 1 ATOM 906 O O . SER A 1 126 ? 70.506 46.968 161.359 1.00 89.58 ? 122 SER L O 1 ATOM 907 C CB . SER A 1 126 ? 72.652 47.376 163.675 1.00 94.84 ? 122 SER L CB 1 ATOM 908 O OG . SER A 1 126 ? 73.415 46.180 163.713 1.00 106.36 ? 122 SER L OG 1 ATOM 909 N N . GLU A 1 127 ? 70.575 45.025 162.562 1.00 88.52 ? 123 GLU L N 1 ATOM 910 C CA . GLU A 1 127 ? 70.132 44.017 161.597 1.00 87.65 ? 123 GLU L CA 1 ATOM 911 C C . GLU A 1 127 ? 68.646 44.293 161.245 1.00 91.41 ? 123 GLU L C 1 ATOM 912 O O . GLU A 1 127 ? 68.295 44.350 160.059 1.00 91.20 ? 123 GLU L O 1 ATOM 913 C CB . GLU A 1 127 ? 70.290 42.598 162.213 1.00 88.39 ? 123 GLU L CB 1 ATOM 914 C CG . GLU A 1 127 ? 71.630 42.326 162.898 1.00 100.09 ? 123 GLU L CG 1 ATOM 915 C CD . GLU A 1 127 ? 71.673 42.487 164.415 1.00 126.20 ? 123 GLU L CD 1 ATOM 916 O OE1 . GLU A 1 127 ? 71.285 41.525 165.118 1.00 120.62 ? 123 GLU L OE1 1 ATOM 917 O OE2 . GLU A 1 127 ? 72.123 43.552 164.904 1.00 119.21 ? 123 GLU L OE2 1 ATOM 918 N N . GLU A 1 128 ? 67.789 44.486 162.293 1.00 86.57 ? 124 GLU L N 1 ATOM 919 C CA . GLU A 1 128 ? 66.355 44.804 162.191 1.00 85.22 ? 124 GLU L CA 1 ATOM 920 C C . GLU A 1 128 ? 66.163 46.237 161.678 1.00 87.04 ? 124 GLU L C 1 ATOM 921 O O . GLU A 1 128 ? 65.140 46.554 161.071 1.00 84.99 ? 124 GLU L O 1 ATOM 922 C CB . GLU A 1 128 ? 65.698 44.673 163.575 1.00 86.60 ? 124 GLU L CB 1 ATOM 923 C CG . GLU A 1 128 ? 64.178 44.547 163.569 1.00 96.76 ? 124 GLU L CG 1 ATOM 924 C CD . GLU A 1 128 ? 63.445 44.988 164.829 1.00 113.30 ? 124 GLU L CD 1 ATOM 925 O OE1 . GLU A 1 128 ? 62.283 45.439 164.697 1.00 89.65 ? 124 GLU L OE1 1 ATOM 926 O OE2 . GLU A 1 128 ? 64.013 44.870 165.942 1.00 108.94 ? 124 GLU L OE2 1 ATOM 927 N N . LEU A 1 129 ? 67.142 47.100 161.953 1.00 84.92 ? 125 LEU L N 1 ATOM 928 C CA . LEU A 1 129 ? 67.095 48.505 161.578 1.00 86.11 ? 125 LEU L CA 1 ATOM 929 C C . LEU A 1 129 ? 67.191 48.783 160.099 1.00 91.79 ? 125 LEU L C 1 ATOM 930 O O . LEU A 1 129 ? 66.521 49.706 159.611 1.00 91.40 ? 125 LEU L O 1 ATOM 931 C CB . LEU A 1 129 ? 68.097 49.333 162.370 1.00 86.65 ? 125 LEU L CB 1 ATOM 932 C CG . LEU A 1 129 ? 67.674 49.675 163.794 1.00 90.94 ? 125 LEU L CG 1 ATOM 933 C CD1 . LEU A 1 129 ? 68.727 50.493 164.452 1.00 92.06 ? 125 LEU L CD1 1 ATOM 934 C CD2 . LEU A 1 129 ? 66.333 50.428 163.830 1.00 92.09 ? 125 LEU L CD2 1 ATOM 935 N N . GLN A 1 130 ? 67.997 47.980 159.373 1.00 88.89 ? 126 GLN L N 1 ATOM 936 C CA . GLN A 1 130 ? 68.101 48.135 157.921 1.00 88.61 ? 126 GLN L CA 1 ATOM 937 C C . GLN A 1 130 ? 66.844 47.574 157.296 1.00 93.97 ? 126 GLN L C 1 ATOM 938 O O . GLN A 1 130 ? 66.406 48.077 156.257 1.00 94.59 ? 126 GLN L O 1 ATOM 939 C CB . GLN A 1 130 ? 69.396 47.529 157.330 1.00 89.08 ? 126 GLN L CB 1 ATOM 940 C CG . GLN A 1 130 ? 69.560 46.013 157.469 1.00 82.53 ? 126 GLN L CG 1 ATOM 941 C CD . GLN A 1 130 ? 71.003 45.562 157.576 1.00 88.98 ? 126 GLN L CD 1 ATOM 942 O OE1 . GLN A 1 130 ? 71.933 46.356 157.808 1.00 89.57 ? 126 GLN L OE1 1 ATOM 943 N NE2 . GLN A 1 130 ? 71.216 44.256 157.490 1.00 66.49 ? 126 GLN L NE2 1 ATOM 944 N N . ALA A 1 131 ? 66.211 46.593 157.994 1.00 90.77 ? 127 ALA L N 1 ATOM 945 C CA . ALA A 1 131 ? 64.961 45.949 157.583 1.00 90.51 ? 127 ALA L CA 1 ATOM 946 C C . ALA A 1 131 ? 63.725 46.900 157.692 1.00 93.94 ? 127 ALA L C 1 ATOM 947 O O . ALA A 1 131 ? 62.629 46.527 157.254 1.00 94.33 ? 127 ALA L O 1 ATOM 948 C CB . ALA A 1 131 ? 64.747 44.652 158.360 1.00 90.79 ? 127 ALA L CB 1 ATOM 949 N N . ASN A 1 132 ? 63.943 48.152 158.193 1.00 88.31 ? 128 ASN L N 1 ATOM 950 C CA . ASN A 1 132 ? 62.985 49.263 158.338 1.00 87.37 ? 128 ASN L CA 1 ATOM 951 C C . ASN A 1 132 ? 61.945 49.131 159.461 1.00 88.63 ? 128 ASN L C 1 ATOM 952 O O . ASN A 1 132 ? 60.836 49.675 159.383 1.00 88.30 ? 128 ASN L O 1 ATOM 953 C CB . ASN A 1 132 ? 62.415 49.761 156.990 1.00 87.17 ? 128 ASN L CB 1 ATOM 954 C CG . ASN A 1 132 ? 62.174 51.254 156.953 1.00 112.00 ? 128 ASN L CG 1 ATOM 955 O OD1 . ASN A 1 132 ? 61.032 51.718 157.048 1.00 110.55 ? 128 ASN L OD1 1 ATOM 956 N ND2 . ASN A 1 132 ? 63.247 52.044 156.842 1.00 100.29 ? 128 ASN L ND2 1 ATOM 957 N N . LYS A 1 133 ? 62.358 48.463 160.545 1.00 82.54 ? 129 LYS L N 1 ATOM 958 C CA . LYS A 1 133 ? 61.551 48.254 161.730 1.00 81.12 ? 129 LYS L CA 1 ATOM 959 C C . LYS A 1 133 ? 62.378 48.543 162.973 1.00 84.97 ? 129 LYS L C 1 ATOM 960 O O . LYS A 1 133 ? 63.612 48.481 162.925 1.00 83.48 ? 129 LYS L O 1 ATOM 961 C CB . LYS A 1 133 ? 60.997 46.824 161.756 1.00 82.35 ? 129 LYS L CB 1 ATOM 962 C CG . LYS A 1 133 ? 59.539 46.735 161.343 1.00 86.63 ? 129 LYS L CG 1 ATOM 963 C CD . LYS A 1 133 ? 59.005 45.305 161.390 1.00 90.69 ? 129 LYS L CD 1 ATOM 964 C CE . LYS A 1 133 ? 57.928 45.134 162.436 1.00 99.31 ? 129 LYS L CE 1 ATOM 965 N NZ . LYS A 1 133 ? 57.217 43.840 162.301 1.00 99.52 ? 129 LYS L NZ 1 ATOM 966 N N . ALA A 1 134 ? 61.683 48.875 164.084 1.00 82.91 ? 130 ALA L N 1 ATOM 967 C CA . ALA A 1 134 ? 62.265 49.204 165.390 1.00 83.01 ? 130 ALA L CA 1 ATOM 968 C C . ALA A 1 134 ? 61.390 48.667 166.536 1.00 86.01 ? 130 ALA L C 1 ATOM 969 O O . ALA A 1 134 ? 60.546 49.380 167.088 1.00 86.58 ? 130 ALA L O 1 ATOM 970 C CB . ALA A 1 134 ? 62.475 50.713 165.523 1.00 84.43 ? 130 ALA L CB 1 ATOM 971 N N . THR A 1 135 ? 61.582 47.397 166.869 1.00 80.29 ? 131 THR L N 1 ATOM 972 C CA . THR A 1 135 ? 60.804 46.774 167.914 1.00 79.55 ? 131 THR L CA 1 ATOM 973 C C . THR A 1 135 ? 61.655 46.681 169.178 1.00 84.94 ? 131 THR L C 1 ATOM 974 O O . THR A 1 135 ? 62.726 46.060 169.196 1.00 85.85 ? 131 THR L O 1 ATOM 975 C CB . THR A 1 135 ? 60.182 45.439 167.434 1.00 85.26 ? 131 THR L CB 1 ATOM 976 O OG1 . THR A 1 135 ? 59.715 45.553 166.086 1.00 88.86 ? 131 THR L OG1 1 ATOM 977 C CG2 . THR A 1 135 ? 59.035 44.988 168.302 1.00 82.63 ? 131 THR L CG2 1 ATOM 978 N N . LEU A 1 136 ? 61.180 47.326 170.233 1.00 80.27 ? 132 LEU L N 1 ATOM 979 C CA . LEU A 1 136 ? 61.844 47.290 171.515 1.00 79.39 ? 132 LEU L CA 1 ATOM 980 C C . LEU A 1 136 ? 61.251 46.094 172.232 1.00 84.55 ? 132 LEU L C 1 ATOM 981 O O . LEU A 1 136 ? 60.025 45.995 172.328 1.00 85.14 ? 132 LEU L O 1 ATOM 982 C CB . LEU A 1 136 ? 61.545 48.573 172.292 1.00 79.80 ? 132 LEU L CB 1 ATOM 983 C CG . LEU A 1 136 ? 62.182 49.857 171.785 1.00 84.13 ? 132 LEU L CG 1 ATOM 984 C CD1 . LEU A 1 136 ? 61.197 50.673 170.930 1.00 84.29 ? 132 LEU L CD1 1 ATOM 985 C CD2 . LEU A 1 136 ? 62.645 50.682 172.940 1.00 85.59 ? 132 LEU L CD2 1 ATOM 986 N N . VAL A 1 137 ? 62.116 45.165 172.706 1.00 80.85 ? 133 VAL L N 1 ATOM 987 C CA . VAL A 1 137 ? 61.739 43.920 173.402 1.00 78.80 ? 133 VAL L CA 1 ATOM 988 C C . VAL A 1 137 ? 62.066 43.958 174.887 1.00 80.79 ? 133 VAL L C 1 ATOM 989 O O . VAL A 1 137 ? 63.221 44.065 175.290 1.00 80.06 ? 133 VAL L O 1 ATOM 990 C CB . VAL A 1 137 ? 62.300 42.648 172.732 1.00 81.71 ? 133 VAL L CB 1 ATOM 991 C CG1 . VAL A 1 137 ? 61.525 41.427 173.185 1.00 81.45 ? 133 VAL L CG1 1 ATOM 992 C CG2 . VAL A 1 137 ? 62.266 42.759 171.211 1.00 81.35 ? 133 VAL L CG2 1 ATOM 993 N N . CYS A 1 138 ? 61.028 43.816 175.685 1.00 76.69 ? 134 CYS L N 1 ATOM 994 C CA . CYS A 1 138 ? 61.055 43.828 177.125 1.00 76.33 ? 134 CYS L CA 1 ATOM 995 C C . CYS A 1 138 ? 60.799 42.395 177.597 1.00 79.90 ? 134 CYS L C 1 ATOM 996 O O . CYS A 1 138 ? 59.652 41.941 177.571 1.00 79.90 ? 134 CYS L O 1 ATOM 997 C CB . CYS A 1 138 ? 59.971 44.781 177.611 1.00 77.69 ? 134 CYS L CB 1 ATOM 998 S SG . CYS A 1 138 ? 59.989 45.089 179.390 1.00 82.80 ? 134 CYS L SG 1 ATOM 999 N N . LEU A 1 139 ? 61.870 41.665 177.992 1.00 75.72 ? 135 LEU L N 1 ATOM 1000 C CA . LEU A 1 139 ? 61.782 40.255 178.435 1.00 74.36 ? 135 LEU L CA 1 ATOM 1001 C C . LEU A 1 139 ? 61.612 40.037 179.950 1.00 72.54 ? 135 LEU L C 1 ATOM 1002 O O . LEU A 1 139 ? 62.557 40.095 180.745 1.00 71.37 ? 135 LEU L O 1 ATOM 1003 C CB . LEU A 1 139 ? 62.865 39.384 177.782 1.00 74.62 ? 135 LEU L CB 1 ATOM 1004 C CG . LEU A 1 139 ? 62.964 39.590 176.248 1.00 81.42 ? 135 LEU L CG 1 ATOM 1005 C CD1 . LEU A 1 139 ? 64.289 39.224 175.730 1.00 82.45 ? 135 LEU L CD1 1 ATOM 1006 C CD2 . LEU A 1 139 ? 61.920 38.778 175.467 1.00 85.57 ? 135 LEU L CD2 1 ATOM 1007 N N . ILE A 1 140 ? 60.361 39.829 180.322 1.00 66.06 ? 136 ILE L N 1 ATOM 1008 C CA . ILE A 1 140 ? 59.879 39.677 181.691 1.00 65.43 ? 136 ILE L CA 1 ATOM 1009 C C . ILE A 1 140 ? 60.052 38.233 182.157 1.00 70.17 ? 136 ILE L C 1 ATOM 1010 O O . ILE A 1 140 ? 59.317 37.363 181.692 1.00 70.89 ? 136 ILE L O 1 ATOM 1011 C CB . ILE A 1 140 ? 58.395 40.143 181.722 1.00 67.57 ? 136 ILE L CB 1 ATOM 1012 C CG1 . ILE A 1 140 ? 58.226 41.527 181.069 1.00 66.25 ? 136 ILE L CG1 1 ATOM 1013 C CG2 . ILE A 1 140 ? 57.802 40.094 183.128 1.00 68.51 ? 136 ILE L CG2 1 ATOM 1014 C CD1 . ILE A 1 140 ? 56.970 41.689 180.347 1.00 60.19 ? 136 ILE L CD1 1 ATOM 1015 N N . SER A 1 141 ? 61.006 37.962 183.066 1.00 65.89 ? 137 SER L N 1 ATOM 1016 C CA . SER A 1 141 ? 61.215 36.572 183.466 1.00 65.93 ? 137 SER L CA 1 ATOM 1017 C C . SER A 1 141 ? 61.162 36.250 184.936 1.00 69.99 ? 137 SER L C 1 ATOM 1018 O O . SER A 1 141 ? 61.199 37.132 185.779 1.00 69.97 ? 137 SER L O 1 ATOM 1019 C CB . SER A 1 141 ? 62.470 35.988 182.819 1.00 70.06 ? 137 SER L CB 1 ATOM 1020 O OG . SER A 1 141 ? 63.580 36.871 182.875 1.00 80.35 ? 137 SER L OG 1 ATOM 1021 N N . ASP A 1 142 ? 61.055 34.958 185.232 1.00 66.71 ? 138 ASP L N 1 ATOM 1022 C CA . ASP A 1 142 ? 61.038 34.398 186.567 1.00 66.63 ? 138 ASP L CA 1 ATOM 1023 C C . ASP A 1 142 ? 60.007 35.050 187.509 1.00 72.53 ? 138 ASP L C 1 ATOM 1024 O O . ASP A 1 142 ? 60.345 35.453 188.641 1.00 74.63 ? 138 ASP L O 1 ATOM 1025 C CB . ASP A 1 142 ? 62.473 34.378 187.142 1.00 67.71 ? 138 ASP L CB 1 ATOM 1026 C CG . ASP A 1 142 ? 63.431 33.415 186.459 1.00 69.96 ? 138 ASP L CG 1 ATOM 1027 O OD1 . ASP A 1 142 ? 63.026 32.263 186.180 1.00 67.33 ? 138 ASP L OD1 1 ATOM 1028 O OD2 . ASP A 1 142 ? 64.605 33.781 186.284 1.00 76.38 ? 138 ASP L OD2 1 ATOM 1029 N N . PHE A 1 143 ? 58.743 35.144 187.050 1.00 67.21 ? 139 PHE L N 1 ATOM 1030 C CA . PHE A 1 143 ? 57.709 35.744 187.892 1.00 67.00 ? 139 PHE L CA 1 ATOM 1031 C C . PHE A 1 143 ? 56.579 34.828 188.370 1.00 75.31 ? 139 PHE L C 1 ATOM 1032 O O . PHE A 1 143 ? 56.183 33.886 187.673 1.00 76.19 ? 139 PHE L O 1 ATOM 1033 C CB . PHE A 1 143 ? 57.217 37.085 187.359 1.00 67.48 ? 139 PHE L CB 1 ATOM 1034 C CG . PHE A 1 143 ? 56.350 37.012 186.135 1.00 68.15 ? 139 PHE L CG 1 ATOM 1035 C CD1 . PHE A 1 143 ? 54.972 37.142 186.233 1.00 70.68 ? 139 PHE L CD1 1 ATOM 1036 C CD2 . PHE A 1 143 ? 56.912 36.869 184.872 1.00 69.24 ? 139 PHE L CD2 1 ATOM 1037 C CE1 . PHE A 1 143 ? 54.170 37.097 185.095 1.00 70.54 ? 139 PHE L CE1 1 ATOM 1038 C CE2 . PHE A 1 143 ? 56.109 36.818 183.739 1.00 70.83 ? 139 PHE L CE2 1 ATOM 1039 C CZ . PHE A 1 143 ? 54.744 36.937 183.859 1.00 68.91 ? 139 PHE L CZ 1 ATOM 1040 N N . TYR A 1 144 ? 56.085 35.095 189.584 1.00 73.24 ? 140 TYR L N 1 ATOM 1041 C CA . TYR A 1 144 ? 55.023 34.311 190.192 1.00 74.27 ? 140 TYR L CA 1 ATOM 1042 C C . TYR A 1 144 ? 54.158 35.142 191.165 1.00 81.03 ? 140 TYR L C 1 ATOM 1043 O O . TYR A 1 144 ? 54.723 35.833 192.019 1.00 80.73 ? 140 TYR L O 1 ATOM 1044 C CB . TYR A 1 144 ? 55.599 33.099 190.904 1.00 75.02 ? 140 TYR L CB 1 ATOM 1045 C CG . TYR A 1 144 ? 54.596 31.990 191.104 1.00 75.77 ? 140 TYR L CG 1 ATOM 1046 C CD1 . TYR A 1 144 ? 54.532 30.915 190.223 1.00 77.76 ? 140 TYR L CD1 1 ATOM 1047 C CD2 . TYR A 1 144 ? 53.730 31.999 192.187 1.00 75.89 ? 140 TYR L CD2 1 ATOM 1048 C CE1 . TYR A 1 144 ? 53.631 29.876 190.418 1.00 79.45 ? 140 TYR L CE1 1 ATOM 1049 C CE2 . TYR A 1 144 ? 52.798 30.992 192.367 1.00 77.17 ? 140 TYR L CE2 1 ATOM 1050 C CZ . TYR A 1 144 ? 52.786 29.901 191.516 1.00 85.09 ? 140 TYR L CZ 1 ATOM 1051 O OH . TYR A 1 144 ? 51.915 28.861 191.746 1.00 82.66 ? 140 TYR L OH 1 ATOM 1052 N N . PRO A 1 145 ? 52.796 35.068 191.080 1.00 78.30 ? 141 PRO L N 1 ATOM 1053 C CA . PRO A 1 145 ? 51.987 34.295 190.110 1.00 77.31 ? 141 PRO L CA 1 ATOM 1054 C C . PRO A 1 145 ? 52.126 34.835 188.679 1.00 76.77 ? 141 PRO L C 1 ATOM 1055 O O . PRO A 1 145 ? 52.657 35.930 188.482 1.00 74.30 ? 141 PRO L O 1 ATOM 1056 C CB . PRO A 1 145 ? 50.579 34.351 190.718 1.00 80.03 ? 141 PRO L CB 1 ATOM 1057 C CG . PRO A 1 145 ? 50.542 35.692 191.388 1.00 85.07 ? 141 PRO L CG 1 ATOM 1058 C CD . PRO A 1 145 ? 51.930 35.876 191.966 1.00 80.37 ? 141 PRO L CD 1 ATOM 1059 N N . GLY A 1 146 ? 51.714 34.032 187.704 1.00 72.22 ? 142 GLY L N 1 ATOM 1060 C CA . GLY A 1 146 ? 51.854 34.354 186.290 1.00 70.69 ? 142 GLY L CA 1 ATOM 1061 C C . GLY A 1 146 ? 50.901 35.381 185.735 1.00 73.66 ? 142 GLY L C 1 ATOM 1062 O O . GLY A 1 146 ? 50.050 35.023 184.916 1.00 73.37 ? 142 GLY L O 1 ATOM 1063 N N . ALA A 1 147 ? 51.077 36.680 186.136 1.00 69.20 ? 143 ALA L N 1 ATOM 1064 C CA . ALA A 1 147 ? 50.304 37.855 185.687 1.00 68.51 ? 143 ALA L CA 1 ATOM 1065 C C . ALA A 1 147 ? 51.064 39.147 185.913 1.00 73.17 ? 143 ALA L C 1 ATOM 1066 O O . ALA A 1 147 ? 51.652 39.324 186.970 1.00 73.73 ? 143 ALA L O 1 ATOM 1067 C CB . ALA A 1 147 ? 48.971 37.925 186.415 1.00 69.92 ? 143 ALA L CB 1 ATOM 1068 N N . VAL A 1 148 ? 51.020 40.069 184.947 1.00 70.77 ? 144 VAL L N 1 ATOM 1069 C CA . VAL A 1 148 ? 51.661 41.402 185.007 1.00 70.92 ? 144 VAL L CA 1 ATOM 1070 C C . VAL A 1 148 ? 50.823 42.398 184.213 1.00 78.29 ? 144 VAL L C 1 ATOM 1071 O O . VAL A 1 148 ? 50.081 41.994 183.306 1.00 78.09 ? 144 VAL L O 1 ATOM 1072 C CB . VAL A 1 148 ? 53.132 41.455 184.445 1.00 72.80 ? 144 VAL L CB 1 ATOM 1073 C CG1 . VAL A 1 148 ? 54.149 40.832 185.381 1.00 72.41 ? 144 VAL L CG1 1 ATOM 1074 C CG2 . VAL A 1 148 ? 53.246 40.875 183.042 1.00 71.55 ? 144 VAL L CG2 1 ATOM 1075 N N . THR A 1 149 ? 51.015 43.701 184.490 1.00 76.45 ? 145 THR L N 1 ATOM 1076 C CA . THR A 1 149 ? 50.449 44.791 183.699 1.00 77.11 ? 145 THR L CA 1 ATOM 1077 C C . THR A 1 149 ? 51.640 45.566 183.189 1.00 82.77 ? 145 THR L C 1 ATOM 1078 O O . THR A 1 149 ? 52.395 46.103 184.006 1.00 84.26 ? 145 THR L O 1 ATOM 1079 C CB . THR A 1 149 ? 49.484 45.705 184.469 1.00 86.37 ? 145 THR L CB 1 ATOM 1080 O OG1 . THR A 1 149 ? 49.802 45.755 185.864 1.00 94.62 ? 145 THR L OG1 1 ATOM 1081 C CG2 . THR A 1 149 ? 48.030 45.357 184.229 1.00 82.39 ? 145 THR L CG2 1 ATOM 1082 N N . VAL A 1 150 ? 51.841 45.602 181.865 1.00 78.16 ? 146 VAL L N 1 ATOM 1083 C CA . VAL A 1 150 ? 52.962 46.347 181.283 1.00 78.25 ? 146 VAL L CA 1 ATOM 1084 C C . VAL A 1 150 ? 52.587 47.856 181.087 1.00 83.54 ? 146 VAL L C 1 ATOM 1085 O O . VAL A 1 150 ? 51.408 48.212 181.192 1.00 84.01 ? 146 VAL L O 1 ATOM 1086 C CB . VAL A 1 150 ? 53.439 45.639 179.984 1.00 81.65 ? 146 VAL L CB 1 ATOM 1087 C CG1 . VAL A 1 150 ? 54.632 46.348 179.342 1.00 81.29 ? 146 VAL L CG1 1 ATOM 1088 C CG2 . VAL A 1 150 ? 53.782 44.183 180.265 1.00 80.72 ? 146 VAL L CG2 1 ATOM 1089 N N . ALA A 1 151 ? 53.593 48.736 180.872 1.00 80.12 ? 147 ALA L N 1 ATOM 1090 C CA . ALA A 1 151 ? 53.403 50.169 180.599 1.00 81.03 ? 147 ALA L CA 1 ATOM 1091 C C . ALA A 1 151 ? 54.615 50.820 179.928 1.00 85.41 ? 147 ALA L C 1 ATOM 1092 O O . ALA A 1 151 ? 55.679 50.962 180.552 1.00 84.71 ? 147 ALA L O 1 ATOM 1093 C CB . ALA A 1 151 ? 53.020 50.928 181.855 1.00 82.59 ? 147 ALA L CB 1 ATOM 1094 N N . TRP A 1 152 ? 54.450 51.225 178.655 1.00 81.49 ? 148 TRP L N 1 ATOM 1095 C CA . TRP A 1 152 ? 55.540 51.856 177.937 1.00 81.47 ? 148 TRP L CA 1 ATOM 1096 C C . TRP A 1 152 ? 55.464 53.355 178.001 1.00 89.20 ? 148 TRP L C 1 ATOM 1097 O O . TRP A 1 152 ? 54.390 53.913 178.228 1.00 90.51 ? 148 TRP L O 1 ATOM 1098 C CB . TRP A 1 152 ? 55.589 51.392 176.505 1.00 79.72 ? 148 TRP L CB 1 ATOM 1099 C CG . TRP A 1 152 ? 55.906 49.941 176.344 1.00 79.91 ? 148 TRP L CG 1 ATOM 1100 C CD1 . TRP A 1 152 ? 55.023 48.905 176.394 1.00 82.73 ? 148 TRP L CD1 1 ATOM 1101 C CD2 . TRP A 1 152 ? 57.171 49.373 175.988 1.00 78.88 ? 148 TRP L CD2 1 ATOM 1102 N NE1 . TRP A 1 152 ? 55.654 47.730 176.076 1.00 81.64 ? 148 TRP L NE1 1 ATOM 1103 C CE2 . TRP A 1 152 ? 56.979 47.984 175.839 1.00 82.62 ? 148 TRP L CE2 1 ATOM 1104 C CE3 . TRP A 1 152 ? 58.453 49.902 175.787 1.00 79.84 ? 148 TRP L CE3 1 ATOM 1105 C CZ2 . TRP A 1 152 ? 58.022 47.116 175.495 1.00 81.26 ? 148 TRP L CZ2 1 ATOM 1106 C CZ3 . TRP A 1 152 ? 59.481 49.042 175.436 1.00 80.63 ? 148 TRP L CZ3 1 ATOM 1107 C CH2 . TRP A 1 152 ? 59.262 47.666 175.297 1.00 80.73 ? 148 TRP L CH2 1 ATOM 1108 N N . LYS A 1 153 ? 56.620 54.012 177.820 1.00 87.02 ? 149 LYS L N 1 ATOM 1109 C CA . LYS A 1 153 ? 56.763 55.463 177.857 1.00 88.19 ? 149 LYS L CA 1 ATOM 1110 C C . LYS A 1 153 ? 57.842 55.901 176.867 1.00 94.53 ? 149 LYS L C 1 ATOM 1111 O O . LYS A 1 153 ? 58.887 55.250 176.769 1.00 92.19 ? 149 LYS L O 1 ATOM 1112 C CB . LYS A 1 153 ? 57.158 55.926 179.276 1.00 91.07 ? 149 LYS L CB 1 ATOM 1113 C CG . LYS A 1 153 ? 56.062 55.825 180.340 1.00 101.70 ? 149 LYS L CG 1 ATOM 1114 C CD . LYS A 1 153 ? 56.655 55.778 181.731 1.00 108.19 ? 149 LYS L CD 1 ATOM 1115 C CE . LYS A 1 153 ? 55.644 56.147 182.782 1.00 117.73 ? 149 LYS L CE 1 ATOM 1116 N NZ . LYS A 1 153 ? 56.287 56.365 184.106 1.00 125.27 ? 149 LYS L NZ 1 ATOM 1117 N N . ALA A 1 154 ? 57.565 57.000 176.123 1.00 95.57 ? 150 ALA L N 1 ATOM 1118 C CA . ALA A 1 154 ? 58.448 57.703 175.176 1.00 96.81 ? 150 ALA L CA 1 ATOM 1119 C C . ALA A 1 154 ? 59.080 58.761 176.060 1.00 105.18 ? 150 ALA L C 1 ATOM 1120 O O . ALA A 1 154 ? 58.601 59.893 176.118 1.00 106.10 ? 150 ALA L O 1 ATOM 1121 C CB . ALA A 1 154 ? 57.615 58.367 174.091 1.00 98.05 ? 150 ALA L CB 1 ATOM 1122 N N . ASP A 1 155 ? 60.097 58.332 176.826 1.00 104.12 ? 151 ASP L N 1 ATOM 1123 C CA . ASP A 1 155 ? 60.789 59.021 177.916 1.00 105.44 ? 151 ASP L CA 1 ATOM 1124 C C . ASP A 1 155 ? 59.829 59.079 179.117 1.00 111.64 ? 151 ASP L C 1 ATOM 1125 O O . ASP A 1 155 ? 59.743 58.086 179.850 1.00 111.68 ? 151 ASP L O 1 ATOM 1126 C CB . ASP A 1 155 ? 61.470 60.358 177.516 1.00 108.22 ? 151 ASP L CB 1 ATOM 1127 C CG . ASP A 1 155 ? 60.675 61.637 177.701 1.00 118.89 ? 151 ASP L CG 1 ATOM 1128 O OD1 . ASP A 1 155 ? 60.768 62.241 178.799 1.00 120.14 ? 151 ASP L OD1 1 ATOM 1129 O OD2 . ASP A 1 155 ? 59.967 62.041 176.747 1.00 123.20 ? 151 ASP L OD2 1 ATOM 1130 N N . SER A 1 156 ? 59.042 60.170 179.254 1.00 108.68 ? 152 SER L N 1 ATOM 1131 C CA . SER A 1 156 ? 58.055 60.363 180.315 1.00 108.36 ? 152 SER L CA 1 ATOM 1132 C C . SER A 1 156 ? 56.652 60.269 179.720 1.00 110.23 ? 152 SER L C 1 ATOM 1133 O O . SER A 1 156 ? 55.767 59.704 180.359 1.00 109.78 ? 152 SER L O 1 ATOM 1134 C CB . SER A 1 156 ? 58.269 61.699 181.020 1.00 112.88 ? 152 SER L CB 1 ATOM 1135 O OG . SER A 1 156 ? 58.237 62.779 180.100 1.00 123.08 ? 152 SER L OG 1 ATOM 1136 N N . SER A 1 157 ? 56.464 60.786 178.487 1.00 105.49 ? 153 SER L N 1 ATOM 1137 C CA . SER A 1 157 ? 55.192 60.754 177.760 1.00 105.68 ? 153 SER L CA 1 ATOM 1138 C C . SER A 1 157 ? 54.782 59.279 177.495 1.00 106.57 ? 153 SER L C 1 ATOM 1139 O O . SER A 1 157 ? 55.498 58.595 176.768 1.00 105.00 ? 153 SER L O 1 ATOM 1140 C CB . SER A 1 157 ? 55.311 61.528 176.445 1.00 111.28 ? 153 SER L CB 1 ATOM 1141 O OG . SER A 1 157 ? 56.011 62.752 176.617 1.00 122.19 ? 153 SER L OG 1 ATOM 1142 N N . PRO A 1 158 ? 53.699 58.740 178.120 1.00 102.00 ? 154 PRO L N 1 ATOM 1143 C CA . PRO A 1 158 ? 53.369 57.318 177.911 1.00 100.40 ? 154 PRO L CA 1 ATOM 1144 C C . PRO A 1 158 ? 52.806 57.027 176.537 1.00 102.61 ? 154 PRO L C 1 ATOM 1145 O O . PRO A 1 158 ? 52.248 57.926 175.899 1.00 103.78 ? 154 PRO L O 1 ATOM 1146 C CB . PRO A 1 158 ? 52.334 57.034 179.003 1.00 102.67 ? 154 PRO L CB 1 ATOM 1147 C CG . PRO A 1 158 ? 51.652 58.338 179.204 1.00 108.20 ? 154 PRO L CG 1 ATOM 1148 C CD . PRO A 1 158 ? 52.735 59.376 179.044 1.00 104.17 ? 154 PRO L CD 1 ATOM 1149 N N . VAL A 1 159 ? 52.960 55.780 176.082 1.00 96.53 ? 155 VAL L N 1 ATOM 1150 C CA . VAL A 1 159 ? 52.459 55.352 174.780 1.00 95.98 ? 155 VAL L CA 1 ATOM 1151 C C . VAL A 1 159 ? 51.517 54.166 174.955 1.00 101.61 ? 155 VAL L C 1 ATOM 1152 O O . VAL A 1 159 ? 51.772 53.290 175.790 1.00 100.72 ? 155 VAL L O 1 ATOM 1153 C CB . VAL A 1 159 ? 53.561 55.020 173.728 1.00 98.39 ? 155 VAL L CB 1 ATOM 1154 C CG1 . VAL A 1 159 ? 53.058 55.290 172.311 1.00 98.45 ? 155 VAL L CG1 1 ATOM 1155 C CG2 . VAL A 1 159 ? 54.872 55.759 173.986 1.00 97.87 ? 155 VAL L CG2 1 ATOM 1156 N N . LYS A 1 160 ? 50.442 54.134 174.143 1.00 99.72 ? 156 LYS L N 1 ATOM 1157 C CA . LYS A 1 160 ? 49.452 53.049 174.094 1.00 99.39 ? 156 LYS L CA 1 ATOM 1158 C C . LYS A 1 160 ? 49.373 52.461 172.662 1.00 102.65 ? 156 LYS L C 1 ATOM 1159 O O . LYS A 1 160 ? 48.682 51.463 172.435 1.00 102.56 ? 156 LYS L O 1 ATOM 1160 C CB . LYS A 1 160 ? 48.068 53.520 174.607 1.00 102.64 ? 156 LYS L CB 1 ATOM 1161 C CG . LYS A 1 160 ? 47.904 53.419 176.132 1.00 113.97 ? 156 LYS L CG 1 ATOM 1162 C CD . LYS A 1 160 ? 46.542 53.930 176.654 1.00 116.79 ? 156 LYS L CD 1 ATOM 1163 C CE . LYS A 1 160 ? 46.501 54.022 178.167 1.00 110.53 ? 156 LYS L CE 1 ATOM 1164 N NZ . LYS A 1 160 ? 45.257 54.675 178.646 1.00 111.56 ? 156 LYS L NZ 1 ATOM 1165 N N . ALA A 1 161 ? 50.108 53.057 171.710 1.00 98.02 ? 157 ALA L N 1 ATOM 1166 C CA . ALA A 1 161 ? 50.105 52.590 170.326 1.00 97.12 ? 157 ALA L CA 1 ATOM 1167 C C . ALA A 1 161 ? 51.336 51.774 169.996 1.00 99.36 ? 157 ALA L C 1 ATOM 1168 O O . ALA A 1 161 ? 52.447 52.123 170.402 1.00 100.08 ? 157 ALA L O 1 ATOM 1169 C CB . ALA A 1 161 ? 49.984 53.763 169.376 1.00 98.53 ? 157 ALA L CB 1 ATOM 1170 N N . GLY A 1 162 ? 51.117 50.693 169.260 1.00 93.25 ? 158 GLY L N 1 ATOM 1171 C CA . GLY A 1 162 ? 52.162 49.763 168.858 1.00 91.20 ? 158 GLY L CA 1 ATOM 1172 C C . GLY A 1 162 ? 52.588 48.781 169.933 1.00 92.90 ? 158 GLY L C 1 ATOM 1173 O O . GLY A 1 162 ? 53.621 48.129 169.770 1.00 91.96 ? 158 GLY L O 1 ATOM 1174 N N . VAL A 1 163 ? 51.797 48.661 171.037 1.00 88.20 ? 159 VAL L N 1 ATOM 1175 C CA . VAL A 1 163 ? 52.076 47.753 172.161 1.00 87.62 ? 159 VAL L CA 1 ATOM 1176 C C . VAL A 1 163 ? 51.455 46.358 172.020 1.00 91.07 ? 159 VAL L C 1 ATOM 1177 O O . VAL A 1 163 ? 50.250 46.214 171.820 1.00 92.00 ? 159 VAL L O 1 ATOM 1178 C CB . VAL A 1 163 ? 51.806 48.345 173.575 1.00 92.74 ? 159 VAL L CB 1 ATOM 1179 C CG1 . VAL A 1 163 ? 52.753 49.487 173.894 1.00 93.15 ? 159 VAL L CG1 1 ATOM 1180 C CG2 . VAL A 1 163 ? 50.349 48.774 173.761 1.00 93.40 ? 159 VAL L CG2 1 ATOM 1181 N N . GLU A 1 164 ? 52.279 45.335 172.171 1.00 85.40 ? 160 GLU L N 1 ATOM 1182 C CA . GLU A 1 164 ? 51.844 43.952 172.131 1.00 83.74 ? 160 GLU L CA 1 ATOM 1183 C C . GLU A 1 164 ? 52.435 43.244 173.351 1.00 84.86 ? 160 GLU L C 1 ATOM 1184 O O . GLU A 1 164 ? 53.559 43.534 173.752 1.00 84.49 ? 160 GLU L O 1 ATOM 1185 C CB . GLU A 1 164 ? 52.321 43.303 170.849 1.00 83.82 ? 160 GLU L CB 1 ATOM 1186 N N . THR A 1 165 ? 51.665 42.379 173.989 1.00 79.40 ? 161 THR L N 1 ATOM 1187 C CA . THR A 1 165 ? 52.175 41.678 175.156 1.00 78.68 ? 161 THR L CA 1 ATOM 1188 C C . THR A 1 165 ? 51.776 40.215 175.087 1.00 81.66 ? 161 THR L C 1 ATOM 1189 O O . THR A 1 165 ? 50.582 39.905 175.003 1.00 81.58 ? 161 THR L O 1 ATOM 1190 C CB . THR A 1 165 ? 51.766 42.374 176.478 1.00 84.95 ? 161 THR L CB 1 ATOM 1191 O OG1 . THR A 1 165 ? 52.049 43.780 176.424 1.00 83.98 ? 161 THR L OG1 1 ATOM 1192 C CG2 . THR A 1 165 ? 52.454 41.762 177.686 1.00 80.76 ? 161 THR L CG2 1 ATOM 1193 N N . THR A 1 166 ? 52.786 39.315 175.127 1.00 76.65 ? 162 THR L N 1 ATOM 1194 C CA . THR A 1 166 ? 52.589 37.865 175.097 1.00 75.41 ? 162 THR L CA 1 ATOM 1195 C C . THR A 1 166 ? 51.895 37.440 176.387 1.00 81.63 ? 162 THR L C 1 ATOM 1196 O O . THR A 1 166 ? 51.786 38.223 177.338 1.00 81.59 ? 162 THR L O 1 ATOM 1197 C CB . THR A 1 166 ? 53.936 37.090 174.951 1.00 74.40 ? 162 THR L CB 1 ATOM 1198 O OG1 . THR A 1 166 ? 54.782 37.330 176.075 1.00 74.57 ? 162 THR L OG1 1 ATOM 1199 C CG2 . THR A 1 166 ? 54.679 37.374 173.652 1.00 67.14 ? 162 THR L CG2 1 ATOM 1200 N N . THR A 1 167 ? 51.415 36.204 176.417 1.00 79.22 ? 163 THR L N 1 ATOM 1201 C CA . THR A 1 167 ? 50.802 35.670 177.616 1.00 79.25 ? 163 THR L CA 1 ATOM 1202 C C . THR A 1 167 ? 51.959 35.007 178.339 1.00 83.14 ? 163 THR L C 1 ATOM 1203 O O . THR A 1 167 ? 52.859 34.473 177.667 1.00 81.40 ? 163 THR L O 1 ATOM 1204 C CB . THR A 1 167 ? 49.701 34.648 177.276 1.00 85.68 ? 163 THR L CB 1 ATOM 1205 O OG1 . THR A 1 167 ? 50.304 33.485 176.706 1.00 89.47 ? 163 THR L OG1 1 ATOM 1206 C CG2 . THR A 1 167 ? 48.620 35.209 176.343 1.00 81.64 ? 163 THR L CG2 1 ATOM 1207 N N . PRO A 1 168 ? 51.969 35.018 179.692 1.00 81.41 ? 164 PRO L N 1 ATOM 1208 C CA . PRO A 1 168 ? 53.047 34.321 180.420 1.00 80.78 ? 164 PRO L CA 1 ATOM 1209 C C . PRO A 1 168 ? 53.090 32.826 180.087 1.00 82.54 ? 164 PRO L C 1 ATOM 1210 O O . PRO A 1 168 ? 52.042 32.211 179.923 1.00 81.43 ? 164 PRO L O 1 ATOM 1211 C CB . PRO A 1 168 ? 52.685 34.550 181.891 1.00 83.14 ? 164 PRO L CB 1 ATOM 1212 C CG . PRO A 1 168 ? 51.762 35.734 181.888 1.00 88.15 ? 164 PRO L CG 1 ATOM 1213 C CD . PRO A 1 168 ? 50.987 35.606 180.627 1.00 83.87 ? 164 PRO L CD 1 ATOM 1214 N N . SER A 1 169 ? 54.305 32.280 179.906 1.00 77.93 ? 165 SER L N 1 ATOM 1215 C CA . SER A 1 169 ? 54.556 30.869 179.629 1.00 76.52 ? 165 SER L CA 1 ATOM 1216 C C . SER A 1 169 ? 55.425 30.261 180.749 1.00 78.55 ? 165 SER L C 1 ATOM 1217 O O . SER A 1 169 ? 56.527 30.737 181.040 1.00 78.55 ? 165 SER L O 1 ATOM 1218 C CB . SER A 1 169 ? 55.210 30.685 178.265 1.00 78.40 ? 165 SER L CB 1 ATOM 1219 O OG . SER A 1 169 ? 55.617 29.337 178.087 1.00 85.74 ? 165 SER L OG 1 ATOM 1220 N N . LYS A 1 170 ? 54.895 29.221 181.378 1.00 73.51 ? 166 LYS L N 1 ATOM 1221 C CA . LYS A 1 170 ? 55.529 28.467 182.443 1.00 73.07 ? 166 LYS L CA 1 ATOM 1222 C C . LYS A 1 170 ? 56.877 27.934 181.970 1.00 76.80 ? 166 LYS L C 1 ATOM 1223 O O . LYS A 1 170 ? 56.940 27.090 181.064 1.00 77.18 ? 166 LYS L O 1 ATOM 1224 C CB . LYS A 1 170 ? 54.613 27.299 182.897 1.00 75.14 ? 166 LYS L CB 1 ATOM 1225 C CG . LYS A 1 170 ? 55.082 26.597 184.178 1.00 78.52 ? 166 LYS L CG 1 ATOM 1226 C CD . LYS A 1 170 ? 54.230 25.380 184.568 1.00 79.32 ? 166 LYS L CD 1 ATOM 1227 C CE . LYS A 1 170 ? 52.892 25.725 185.204 1.00 77.55 ? 166 LYS L CE 1 ATOM 1228 N NZ . LYS A 1 170 ? 53.011 26.469 186.493 1.00 75.68 ? 166 LYS L NZ 1 ATOM 1229 N N . GLN A 1 171 ? 57.952 28.441 182.586 1.00 71.26 ? 167 GLN L N 1 ATOM 1230 C CA . GLN A 1 171 ? 59.319 27.990 182.336 1.00 69.62 ? 167 GLN L CA 1 ATOM 1231 C C . GLN A 1 171 ? 59.624 26.650 183.063 1.00 73.13 ? 167 GLN L C 1 ATOM 1232 O O . GLN A 1 171 ? 58.759 26.119 183.764 1.00 71.90 ? 167 GLN L O 1 ATOM 1233 C CB . GLN A 1 171 ? 60.298 29.079 182.758 1.00 70.21 ? 167 GLN L CB 1 ATOM 1234 C CG . GLN A 1 171 ? 60.240 30.294 181.871 1.00 76.67 ? 167 GLN L CG 1 ATOM 1235 C CD . GLN A 1 171 ? 60.469 29.918 180.441 1.00 86.40 ? 167 GLN L CD 1 ATOM 1236 O OE1 . GLN A 1 171 ? 61.479 29.288 180.089 1.00 77.84 ? 167 GLN L OE1 1 ATOM 1237 N NE2 . GLN A 1 171 ? 59.484 30.220 179.614 1.00 77.94 ? 167 GLN L NE2 1 ATOM 1238 N N . SER A 1 172 ? 60.844 26.108 182.890 1.00 70.53 ? 168 SER L N 1 ATOM 1239 C CA . SER A 1 172 ? 61.247 24.846 183.507 1.00 71.38 ? 168 SER L CA 1 ATOM 1240 C C . SER A 1 172 ? 61.258 24.892 185.053 1.00 76.83 ? 168 SER L C 1 ATOM 1241 O O . SER A 1 172 ? 60.965 23.869 185.684 1.00 78.26 ? 168 SER L O 1 ATOM 1242 C CB . SER A 1 172 ? 62.581 24.366 182.952 1.00 75.90 ? 168 SER L CB 1 ATOM 1243 O OG . SER A 1 172 ? 63.636 25.085 183.567 1.00 92.08 ? 168 SER L OG 1 ATOM 1244 N N . ASN A 1 173 ? 61.544 26.076 185.660 1.00 71.87 ? 170 ASN L N 1 ATOM 1245 C CA . ASN A 1 173 ? 61.529 26.290 187.125 1.00 70.75 ? 170 ASN L CA 1 ATOM 1246 C C . ASN A 1 173 ? 60.119 26.625 187.634 1.00 74.67 ? 170 ASN L C 1 ATOM 1247 O O . ASN A 1 173 ? 59.972 27.073 188.762 1.00 75.65 ? 170 ASN L O 1 ATOM 1248 C CB . ASN A 1 173 ? 62.470 27.440 187.508 1.00 67.71 ? 170 ASN L CB 1 ATOM 1249 C CG . ASN A 1 173 ? 61.995 28.819 187.082 1.00 73.66 ? 170 ASN L CG 1 ATOM 1250 O OD1 . ASN A 1 173 ? 61.055 28.977 186.284 1.00 63.43 ? 170 ASN L OD1 1 ATOM 1251 N ND2 . ASN A 1 173 ? 62.659 29.854 187.583 1.00 59.07 ? 170 ASN L ND2 1 ATOM 1252 N N . ASN A 1 174 ? 59.110 26.512 186.765 1.00 71.48 ? 171 ASN L N 1 ATOM 1253 C CA . ASN A 1 174 ? 57.689 26.783 187.008 1.00 71.68 ? 171 ASN L CA 1 ATOM 1254 C C . ASN A 1 174 ? 57.321 28.238 187.214 1.00 75.78 ? 171 ASN L C 1 ATOM 1255 O O . ASN A 1 174 ? 56.151 28.540 187.441 1.00 76.04 ? 171 ASN L O 1 ATOM 1256 C CB . ASN A 1 174 ? 57.046 25.821 188.031 1.00 71.29 ? 171 ASN L CB 1 ATOM 1257 C CG . ASN A 1 174 ? 57.580 24.417 187.926 1.00 85.47 ? 171 ASN L CG 1 ATOM 1258 O OD1 . ASN A 1 174 ? 58.212 23.930 188.859 1.00 77.35 ? 171 ASN L OD1 1 ATOM 1259 N ND2 . ASN A 1 174 ? 57.477 23.800 186.739 1.00 75.81 ? 171 ASN L ND2 1 ATOM 1260 N N . LYS A 1 175 ? 58.296 29.146 187.096 1.00 72.52 ? 172 LYS L N 1 ATOM 1261 C CA . LYS A 1 175 ? 58.020 30.583 187.176 1.00 73.10 ? 172 LYS L CA 1 ATOM 1262 C C . LYS A 1 175 ? 57.596 31.039 185.766 1.00 77.94 ? 172 LYS L C 1 ATOM 1263 O O . LYS A 1 175 ? 57.823 30.315 184.785 1.00 78.28 ? 172 LYS L O 1 ATOM 1264 C CB . LYS A 1 175 ? 59.223 31.386 187.714 1.00 74.97 ? 172 LYS L CB 1 ATOM 1265 C CG . LYS A 1 175 ? 59.537 31.124 189.195 1.00 79.80 ? 172 LYS L CG 1 ATOM 1266 C CD . LYS A 1 175 ? 60.713 31.979 189.697 1.00 84.14 ? 172 LYS L CD 1 ATOM 1267 C CE . LYS A 1 175 ? 61.308 31.522 191.008 1.00 81.20 ? 172 LYS L CE 1 ATOM 1268 N NZ . LYS A 1 175 ? 62.121 30.278 190.870 1.00 85.72 ? 172 LYS L NZ 1 ATOM 1269 N N . TYR A 1 176 ? 56.933 32.186 185.659 1.00 73.38 ? 173 TYR L N 1 ATOM 1270 C CA . TYR A 1 176 ? 56.458 32.589 184.348 1.00 72.50 ? 173 TYR L CA 1 ATOM 1271 C C . TYR A 1 176 ? 57.372 33.536 183.654 1.00 74.63 ? 173 TYR L C 1 ATOM 1272 O O . TYR A 1 176 ? 58.166 34.207 184.305 1.00 75.57 ? 173 TYR L O 1 ATOM 1273 C CB . TYR A 1 176 ? 55.013 33.090 184.415 1.00 74.28 ? 173 TYR L CB 1 ATOM 1274 C CG . TYR A 1 176 ? 54.058 31.978 184.788 1.00 76.46 ? 173 TYR L CG 1 ATOM 1275 C CD1 . TYR A 1 176 ? 53.521 31.139 183.819 1.00 78.66 ? 173 TYR L CD1 1 ATOM 1276 C CD2 . TYR A 1 176 ? 53.764 31.705 186.114 1.00 77.52 ? 173 TYR L CD2 1 ATOM 1277 C CE1 . TYR A 1 176 ? 52.674 30.086 184.160 1.00 78.77 ? 173 TYR L CE1 1 ATOM 1278 C CE2 . TYR A 1 176 ? 52.912 30.662 186.466 1.00 79.04 ? 173 TYR L CE2 1 ATOM 1279 C CZ . TYR A 1 176 ? 52.379 29.845 185.487 1.00 82.51 ? 173 TYR L CZ 1 ATOM 1280 O OH . TYR A 1 176 ? 51.547 28.810 185.848 1.00 81.13 ? 173 TYR L OH 1 ATOM 1281 N N . ALA A 1 177 ? 57.328 33.533 182.328 1.00 68.40 ? 174 ALA L N 1 ATOM 1282 C CA . ALA A 1 177 ? 58.133 34.443 181.528 1.00 67.11 ? 174 ALA L CA 1 ATOM 1283 C C . ALA A 1 177 ? 57.281 34.937 180.389 1.00 69.07 ? 174 ALA L C 1 ATOM 1284 O O . ALA A 1 177 ? 56.538 34.146 179.790 1.00 70.39 ? 174 ALA L O 1 ATOM 1285 C CB . ALA A 1 177 ? 59.378 33.759 181.004 1.00 67.52 ? 174 ALA L CB 1 ATOM 1286 N N . ALA A 1 178 ? 57.356 36.247 180.115 1.00 61.76 ? 175 ALA L N 1 ATOM 1287 C CA . ALA A 1 178 ? 56.582 36.907 179.081 1.00 60.91 ? 175 ALA L CA 1 ATOM 1288 C C . ALA A 1 178 ? 57.444 37.913 178.301 1.00 68.20 ? 175 ALA L C 1 ATOM 1289 O O . ALA A 1 178 ? 58.631 38.069 178.599 1.00 68.83 ? 175 ALA L O 1 ATOM 1290 C CB . ALA A 1 178 ? 55.378 37.589 179.709 1.00 61.61 ? 175 ALA L CB 1 ATOM 1291 N N . SER A 1 179 ? 56.868 38.567 177.279 1.00 66.37 ? 176 SER L N 1 ATOM 1292 C CA . SER A 1 179 ? 57.587 39.556 176.475 1.00 67.19 ? 176 SER L CA 1 ATOM 1293 C C . SER A 1 179 ? 56.658 40.645 175.955 1.00 71.59 ? 176 SER L C 1 ATOM 1294 O O . SER A 1 179 ? 55.604 40.351 175.385 1.00 71.12 ? 176 SER L O 1 ATOM 1295 C CB . SER A 1 179 ? 58.322 38.913 175.294 1.00 72.63 ? 176 SER L CB 1 ATOM 1296 O OG . SER A 1 179 ? 58.393 37.493 175.319 1.00 87.80 ? 176 SER L OG 1 ATOM 1297 N N . SER A 1 180 ? 57.055 41.905 176.142 1.00 67.92 ? 177 SER L N 1 ATOM 1298 C CA . SER A 1 180 ? 56.286 43.011 175.601 1.00 67.61 ? 177 SER L CA 1 ATOM 1299 C C . SER A 1 180 ? 57.058 43.683 174.488 1.00 73.84 ? 177 SER L C 1 ATOM 1300 O O . SER A 1 180 ? 58.255 43.958 174.620 1.00 74.26 ? 177 SER L O 1 ATOM 1301 C CB . SER A 1 180 ? 55.879 44.009 176.665 1.00 68.86 ? 177 SER L CB 1 ATOM 1302 O OG . SER A 1 180 ? 54.649 44.587 176.265 1.00 74.20 ? 177 SER L OG 1 ATOM 1303 N N . TYR A 1 181 ? 56.376 43.900 173.368 1.00 70.62 ? 178 TYR L N 1 ATOM 1304 C CA . TYR A 1 181 ? 56.946 44.502 172.178 1.00 69.72 ? 178 TYR L CA 1 ATOM 1305 C C . TYR A 1 181 ? 56.267 45.841 171.953 1.00 76.39 ? 178 TYR L C 1 ATOM 1306 O O . TYR A 1 181 ? 55.033 45.914 171.996 1.00 78.45 ? 178 TYR L O 1 ATOM 1307 C CB . TYR A 1 181 ? 56.729 43.589 170.957 1.00 69.29 ? 178 TYR L CB 1 ATOM 1308 C CG . TYR A 1 181 ? 57.201 42.153 171.129 1.00 70.58 ? 178 TYR L CG 1 ATOM 1309 C CD1 . TYR A 1 181 ? 58.405 41.721 170.577 1.00 71.89 ? 178 TYR L CD1 1 ATOM 1310 C CD2 . TYR A 1 181 ? 56.418 41.212 171.798 1.00 71.00 ? 178 TYR L CD2 1 ATOM 1311 C CE1 . TYR A 1 181 ? 58.833 40.397 170.716 1.00 70.50 ? 178 TYR L CE1 1 ATOM 1312 C CE2 . TYR A 1 181 ? 56.841 39.892 171.950 1.00 70.90 ? 178 TYR L CE2 1 ATOM 1313 C CZ . TYR A 1 181 ? 58.047 39.487 171.403 1.00 74.56 ? 178 TYR L CZ 1 ATOM 1314 O OH . TYR A 1 181 ? 58.471 38.190 171.570 1.00 74.15 ? 178 TYR L OH 1 ATOM 1315 N N . LEU A 1 182 ? 57.071 46.911 171.776 1.00 71.04 ? 179 LEU L N 1 ATOM 1316 C CA . LEU A 1 182 ? 56.607 48.237 171.393 1.00 70.17 ? 179 LEU L CA 1 ATOM 1317 C C . LEU A 1 182 ? 57.175 48.345 170.004 1.00 73.54 ? 179 LEU L C 1 ATOM 1318 O O . LEU A 1 182 ? 58.400 48.429 169.861 1.00 72.26 ? 179 LEU L O 1 ATOM 1319 C CB . LEU A 1 182 ? 57.159 49.350 172.315 1.00 70.57 ? 179 LEU L CB 1 ATOM 1320 C CG . LEU A 1 182 ? 57.005 50.847 171.883 1.00 74.12 ? 179 LEU L CG 1 ATOM 1321 C CD1 . LEU A 1 182 ? 55.559 51.349 172.007 1.00 74.20 ? 179 LEU L CD1 1 ATOM 1322 C CD2 . LEU A 1 182 ? 57.925 51.745 172.695 1.00 73.44 ? 179 LEU L CD2 1 ATOM 1323 N N . SER A 1 183 ? 56.306 48.198 168.978 1.00 71.48 ? 180 SER L N 1 ATOM 1324 C CA . SER A 1 183 ? 56.720 48.265 167.574 1.00 71.99 ? 180 SER L CA 1 ATOM 1325 C C . SER A 1 183 ? 56.734 49.730 167.058 1.00 78.49 ? 180 SER L C 1 ATOM 1326 O O . SER A 1 183 ? 55.710 50.415 167.068 1.00 78.68 ? 180 SER L O 1 ATOM 1327 C CB . SER A 1 183 ? 55.863 47.346 166.702 1.00 75.13 ? 180 SER L CB 1 ATOM 1328 O OG . SER A 1 183 ? 56.033 45.973 167.030 1.00 82.05 ? 180 SER L OG 1 ATOM 1329 N N . LEU A 1 184 ? 57.911 50.217 166.666 1.00 76.99 ? 181 LEU L N 1 ATOM 1330 C CA . LEU A 1 184 ? 58.089 51.583 166.195 1.00 79.25 ? 181 LEU L CA 1 ATOM 1331 C C . LEU A 1 184 ? 58.758 51.645 164.816 1.00 86.69 ? 181 LEU L C 1 ATOM 1332 O O . LEU A 1 184 ? 59.296 50.638 164.351 1.00 85.38 ? 181 LEU L O 1 ATOM 1333 C CB . LEU A 1 184 ? 58.969 52.293 167.221 1.00 80.08 ? 181 LEU L CB 1 ATOM 1334 C CG . LEU A 1 184 ? 58.330 53.340 168.133 1.00 86.57 ? 181 LEU L CG 1 ATOM 1335 C CD1 . LEU A 1 184 ? 57.072 52.834 168.833 1.00 87.00 ? 181 LEU L CD1 1 ATOM 1336 C CD2 . LEU A 1 184 ? 59.304 53.768 169.175 1.00 89.37 ? 181 LEU L CD2 1 ATOM 1337 N N . THR A 1 185 ? 58.716 52.826 164.157 1.00 86.92 ? 182 THR L N 1 ATOM 1338 C CA . THR A 1 185 ? 59.409 53.044 162.873 1.00 87.79 ? 182 THR L CA 1 ATOM 1339 C C . THR A 1 185 ? 60.841 53.490 163.214 1.00 94.36 ? 182 THR L C 1 ATOM 1340 O O . THR A 1 185 ? 61.046 54.051 164.300 1.00 95.13 ? 182 THR L O 1 ATOM 1341 C CB . THR A 1 185 ? 58.698 54.072 161.925 1.00 93.21 ? 182 THR L CB 1 ATOM 1342 O OG1 . THR A 1 185 ? 58.848 55.438 162.371 1.00 92.03 ? 182 THR L OG1 1 ATOM 1343 C CG2 . THR A 1 185 ? 57.256 53.682 161.567 1.00 88.14 ? 182 THR L CG2 1 ATOM 1344 N N . PRO A 1 186 ? 61.844 53.291 162.323 1.00 91.22 ? 183 PRO L N 1 ATOM 1345 C CA . PRO A 1 186 ? 63.210 53.721 162.669 1.00 91.30 ? 183 PRO L CA 1 ATOM 1346 C C . PRO A 1 186 ? 63.383 55.219 162.972 1.00 95.07 ? 183 PRO L C 1 ATOM 1347 O O . PRO A 1 186 ? 64.286 55.563 163.743 1.00 93.96 ? 183 PRO L O 1 ATOM 1348 C CB . PRO A 1 186 ? 64.044 53.242 161.477 1.00 92.77 ? 183 PRO L CB 1 ATOM 1349 C CG . PRO A 1 186 ? 63.223 52.170 160.830 1.00 96.45 ? 183 PRO L CG 1 ATOM 1350 C CD . PRO A 1 186 ? 61.815 52.634 160.999 1.00 92.30 ? 183 PRO L CD 1 ATOM 1351 N N . GLU A 1 187 ? 62.513 56.103 162.409 1.00 92.37 ? 184 GLU L N 1 ATOM 1352 C CA . GLU A 1 187 ? 62.605 57.550 162.683 1.00 93.72 ? 184 GLU L CA 1 ATOM 1353 C C . GLU A 1 187 ? 62.010 57.819 164.051 1.00 96.67 ? 184 GLU L C 1 ATOM 1354 O O . GLU A 1 187 ? 62.536 58.660 164.793 1.00 97.39 ? 184 GLU L O 1 ATOM 1355 C CB . GLU A 1 187 ? 61.894 58.438 161.633 1.00 96.09 ? 184 GLU L CB 1 ATOM 1356 C CG . GLU A 1 187 ? 62.072 58.047 160.178 1.00 109.64 ? 184 GLU L CG 1 ATOM 1357 C CD . GLU A 1 187 ? 60.745 57.921 159.456 1.00 136.75 ? 184 GLU L CD 1 ATOM 1358 O OE1 . GLU A 1 187 ? 60.130 58.974 159.166 1.00 134.18 ? 184 GLU L OE1 1 ATOM 1359 O OE2 . GLU A 1 187 ? 60.295 56.773 159.229 1.00 130.15 ? 184 GLU L OE2 1 ATOM 1360 N N . GLN A 1 188 ? 60.900 57.104 164.375 1.00 90.66 ? 185 GLN L N 1 ATOM 1361 C CA . GLN A 1 188 ? 60.220 57.195 165.669 1.00 89.55 ? 185 GLN L CA 1 ATOM 1362 C C . GLN A 1 188 ? 61.236 56.906 166.763 1.00 91.85 ? 185 GLN L C 1 ATOM 1363 O O . GLN A 1 188 ? 61.387 57.725 167.665 1.00 91.53 ? 185 GLN L O 1 ATOM 1364 C CB . GLN A 1 188 ? 59.063 56.187 165.749 1.00 89.64 ? 185 GLN L CB 1 ATOM 1365 C CG . GLN A 1 188 ? 57.679 56.792 165.606 1.00 80.99 ? 185 GLN L CG 1 ATOM 1366 C CD . GLN A 1 188 ? 56.651 55.692 165.584 1.00 78.80 ? 185 GLN L CD 1 ATOM 1367 O OE1 . GLN A 1 188 ? 56.473 54.983 164.593 1.00 70.86 ? 185 GLN L OE1 1 ATOM 1368 N NE2 . GLN A 1 188 ? 55.959 55.507 166.683 1.00 62.05 ? 185 GLN L NE2 1 ATOM 1369 N N . TRP A 1 189 ? 61.980 55.778 166.629 1.00 87.79 ? 186 TRP L N 1 ATOM 1370 C CA . TRP A 1 189 ? 63.020 55.335 167.562 1.00 88.02 ? 186 TRP L CA 1 ATOM 1371 C C . TRP A 1 189 ? 64.168 56.334 167.675 1.00 93.80 ? 186 TRP L C 1 ATOM 1372 O O . TRP A 1 189 ? 64.579 56.670 168.794 1.00 94.67 ? 186 TRP L O 1 ATOM 1373 C CB . TRP A 1 189 ? 63.549 53.924 167.199 1.00 85.85 ? 186 TRP L CB 1 ATOM 1374 C CG . TRP A 1 189 ? 64.943 53.602 167.699 1.00 86.45 ? 186 TRP L CG 1 ATOM 1375 C CD1 . TRP A 1 189 ? 66.104 53.659 166.981 1.00 89.26 ? 186 TRP L CD1 1 ATOM 1376 C CD2 . TRP A 1 189 ? 65.312 53.164 169.019 1.00 86.07 ? 186 TRP L CD2 1 ATOM 1377 N NE1 . TRP A 1 189 ? 67.171 53.294 167.768 1.00 88.45 ? 186 TRP L NE1 1 ATOM 1378 C CE2 . TRP A 1 189 ? 66.713 52.977 169.023 1.00 89.92 ? 186 TRP L CE2 1 ATOM 1379 C CE3 . TRP A 1 189 ? 64.596 52.920 170.205 1.00 86.90 ? 186 TRP L CE3 1 ATOM 1380 C CZ2 . TRP A 1 189 ? 67.411 52.560 170.168 1.00 88.86 ? 186 TRP L CZ2 1 ATOM 1381 C CZ3 . TRP A 1 189 ? 65.294 52.534 171.338 1.00 87.84 ? 186 TRP L CZ3 1 ATOM 1382 C CH2 . TRP A 1 189 ? 66.684 52.360 171.313 1.00 88.33 ? 186 TRP L CH2 1 ATOM 1383 N N . LYS A 1 190 ? 64.702 56.779 166.523 1.00 90.17 ? 187 LYS L N 1 ATOM 1384 C CA . LYS A 1 190 ? 65.833 57.701 166.464 1.00 90.36 ? 187 LYS L CA 1 ATOM 1385 C C . LYS A 1 190 ? 65.538 59.012 167.168 1.00 93.45 ? 187 LYS L C 1 ATOM 1386 O O . LYS A 1 190 ? 66.426 59.532 167.849 1.00 92.41 ? 187 LYS L O 1 ATOM 1387 C CB . LYS A 1 190 ? 66.321 57.913 165.010 1.00 93.51 ? 187 LYS L CB 1 ATOM 1388 C CG . LYS A 1 190 ? 67.370 56.891 164.524 1.00 110.65 ? 187 LYS L CG 1 ATOM 1389 C CD . LYS A 1 190 ? 68.747 57.019 165.241 1.00 125.94 ? 187 LYS L CD 1 ATOM 1390 C CE . LYS A 1 190 ? 69.807 56.064 164.724 1.00 142.30 ? 187 LYS L CE 1 ATOM 1391 N NZ . LYS A 1 190 ? 71.011 56.026 165.605 1.00 154.03 ? 187 LYS L NZ 1 ATOM 1392 N N . SER A 1 191 ? 64.271 59.496 167.063 1.00 90.38 ? 188 SER L N 1 ATOM 1393 C CA . SER A 1 191 ? 63.783 60.740 167.670 1.00 91.25 ? 188 SER L CA 1 ATOM 1394 C C . SER A 1 191 ? 63.862 60.790 169.223 1.00 94.35 ? 188 SER L C 1 ATOM 1395 O O . SER A 1 191 ? 64.717 61.502 169.763 1.00 93.23 ? 188 SER L O 1 ATOM 1396 C CB . SER A 1 191 ? 62.391 61.100 167.153 1.00 95.06 ? 188 SER L CB 1 ATOM 1397 O OG . SER A 1 191 ? 61.376 60.307 167.746 1.00 104.18 ? 188 SER L OG 1 ATOM 1398 N N . HIS A 1 192 ? 62.999 60.031 169.927 1.00 90.97 ? 189 HIS L N 1 ATOM 1399 C CA . HIS A 1 192 ? 62.966 60.010 171.393 1.00 91.17 ? 189 HIS L CA 1 ATOM 1400 C C . HIS A 1 192 ? 64.310 59.619 172.064 1.00 95.08 ? 189 HIS L C 1 ATOM 1401 O O . HIS A 1 192 ? 64.876 58.558 171.787 1.00 95.54 ? 189 HIS L O 1 ATOM 1402 C CB . HIS A 1 192 ? 61.841 59.107 171.914 1.00 91.25 ? 189 HIS L CB 1 ATOM 1403 C CG . HIS A 1 192 ? 60.461 59.471 171.459 1.00 94.83 ? 189 HIS L CG 1 ATOM 1404 N ND1 . HIS A 1 192 ? 59.834 58.781 170.426 1.00 95.76 ? 189 HIS L ND1 1 ATOM 1405 C CD2 . HIS A 1 192 ? 59.600 60.385 171.964 1.00 97.35 ? 189 HIS L CD2 1 ATOM 1406 C CE1 . HIS A 1 192 ? 58.625 59.308 170.328 1.00 95.79 ? 189 HIS L CE1 1 ATOM 1407 N NE2 . HIS A 1 192 ? 58.437 60.277 171.232 1.00 97.13 ? 189 HIS L NE2 1 ATOM 1408 N N . LYS A 1 193 ? 64.794 60.506 172.937 1.00 90.25 ? 190 LYS L N 1 ATOM 1409 C CA . LYS A 1 193 ? 65.986 60.445 173.792 1.00 89.75 ? 190 LYS L CA 1 ATOM 1410 C C . LYS A 1 193 ? 65.936 59.291 174.875 1.00 93.32 ? 190 LYS L C 1 ATOM 1411 O O . LYS A 1 193 ? 66.975 58.941 175.462 1.00 92.85 ? 190 LYS L O 1 ATOM 1412 C CB . LYS A 1 193 ? 66.163 61.824 174.485 1.00 92.35 ? 190 LYS L CB 1 ATOM 1413 C CG . LYS A 1 193 ? 65.013 62.237 175.446 1.00 100.21 ? 190 LYS L CG 1 ATOM 1414 C CD . LYS A 1 193 ? 63.687 62.711 174.767 1.00 103.09 ? 190 LYS L CD 1 ATOM 1415 C CE . LYS A 1 193 ? 62.599 61.653 174.798 1.00 92.99 ? 190 LYS L CE 1 ATOM 1416 N NZ . LYS A 1 193 ? 61.282 62.132 174.297 1.00 91.28 ? 190 LYS L NZ 1 ATOM 1417 N N . SER A 1 194 ? 64.723 58.752 175.169 1.00 87.76 ? 191 SER L N 1 ATOM 1418 C CA . SER A 1 194 ? 64.527 57.668 176.135 1.00 85.83 ? 191 SER L CA 1 ATOM 1419 C C . SER A 1 194 ? 63.243 56.898 175.911 1.00 84.91 ? 191 SER L C 1 ATOM 1420 O O . SER A 1 194 ? 62.273 57.435 175.353 1.00 83.67 ? 191 SER L O 1 ATOM 1421 C CB . SER A 1 194 ? 64.557 58.189 177.569 1.00 91.66 ? 191 SER L CB 1 ATOM 1422 O OG . SER A 1 194 ? 65.881 58.535 177.941 1.00 106.19 ? 191 SER L OG 1 ATOM 1423 N N . TYR A 1 195 ? 63.259 55.621 176.356 1.00 78.12 ? 192 TYR L N 1 ATOM 1424 C CA . TYR A 1 195 ? 62.140 54.692 176.343 1.00 76.40 ? 192 TYR L CA 1 ATOM 1425 C C . TYR A 1 195 ? 62.146 53.902 177.643 1.00 82.86 ? 192 TYR L C 1 ATOM 1426 O O . TYR A 1 195 ? 63.221 53.607 178.185 1.00 82.78 ? 192 TYR L O 1 ATOM 1427 C CB . TYR A 1 195 ? 62.220 53.751 175.157 1.00 75.56 ? 192 TYR L CB 1 ATOM 1428 C CG . TYR A 1 195 ? 61.927 54.413 173.833 1.00 76.15 ? 192 TYR L CG 1 ATOM 1429 C CD1 . TYR A 1 195 ? 62.952 54.713 172.942 1.00 78.24 ? 192 TYR L CD1 1 ATOM 1430 C CD2 . TYR A 1 195 ? 60.621 54.714 173.454 1.00 76.53 ? 192 TYR L CD2 1 ATOM 1431 C CE1 . TYR A 1 195 ? 62.692 55.349 171.730 1.00 80.13 ? 192 TYR L CE1 1 ATOM 1432 C CE2 . TYR A 1 195 ? 60.347 55.333 172.240 1.00 77.66 ? 192 TYR L CE2 1 ATOM 1433 C CZ . TYR A 1 195 ? 61.387 55.642 171.374 1.00 88.09 ? 192 TYR L CZ 1 ATOM 1434 O OH . TYR A 1 195 ? 61.136 56.260 170.171 1.00 91.49 ? 192 TYR L OH 1 ATOM 1435 N N . SER A 1 196 ? 60.948 53.564 178.155 1.00 80.24 ? 193 SER L N 1 ATOM 1436 C CA . SER A 1 196 ? 60.832 52.836 179.416 1.00 79.61 ? 193 SER L CA 1 ATOM 1437 C C . SER A 1 196 ? 59.836 51.688 179.410 1.00 82.93 ? 193 SER L C 1 ATOM 1438 O O . SER A 1 196 ? 58.730 51.815 178.887 1.00 83.19 ? 193 SER L O 1 ATOM 1439 C CB . SER A 1 196 ? 60.498 53.801 180.543 1.00 84.20 ? 193 SER L CB 1 ATOM 1440 O OG . SER A 1 196 ? 61.438 54.861 180.549 1.00 95.84 ? 193 SER L OG 1 ATOM 1441 N N . CYS A 1 197 ? 60.224 50.571 180.013 1.00 78.89 ? 194 CYS L N 1 ATOM 1442 C CA . CYS A 1 197 ? 59.333 49.436 180.151 1.00 79.15 ? 194 CYS L CA 1 ATOM 1443 C C . CYS A 1 197 ? 58.981 49.238 181.616 1.00 84.12 ? 194 CYS L C 1 ATOM 1444 O O . CYS A 1 197 ? 59.871 48.966 182.428 1.00 84.15 ? 194 CYS L O 1 ATOM 1445 C CB . CYS A 1 197 ? 59.941 48.174 179.559 1.00 79.38 ? 194 CYS L CB 1 ATOM 1446 S SG . CYS A 1 197 ? 58.821 46.751 179.605 1.00 83.62 ? 194 CYS L SG 1 ATOM 1447 N N . GLN A 1 198 ? 57.693 49.357 181.968 1.00 80.40 ? 195 GLN L N 1 ATOM 1448 C CA . GLN A 1 198 ? 57.309 49.134 183.359 1.00 79.72 ? 195 GLN L CA 1 ATOM 1449 C C . GLN A 1 198 ? 56.167 48.172 183.628 1.00 81.61 ? 195 GLN L C 1 ATOM 1450 O O . GLN A 1 198 ? 54.987 48.462 183.384 1.00 81.36 ? 195 GLN L O 1 ATOM 1451 C CB . GLN A 1 198 ? 57.254 50.409 184.216 1.00 82.14 ? 195 GLN L CB 1 ATOM 1452 C CG . GLN A 1 198 ? 56.367 51.522 183.681 1.00 99.53 ? 195 GLN L CG 1 ATOM 1453 C CD . GLN A 1 198 ? 55.658 52.226 184.800 1.00 104.30 ? 195 GLN L CD 1 ATOM 1454 O OE1 . GLN A 1 198 ? 56.011 53.352 185.162 1.00 101.55 ? 195 GLN L OE1 1 ATOM 1455 N NE2 . GLN A 1 198 ? 54.649 51.568 185.372 1.00 82.25 ? 195 GLN L NE2 1 ATOM 1456 N N . VAL A 1 199 ? 56.562 46.996 184.134 1.00 76.55 ? 196 VAL L N 1 ATOM 1457 C CA . VAL A 1 199 ? 55.685 45.917 184.578 1.00 75.00 ? 196 VAL L CA 1 ATOM 1458 C C . VAL A 1 199 ? 55.237 46.208 185.990 1.00 79.34 ? 196 VAL L C 1 ATOM 1459 O O . VAL A 1 199 ? 55.994 46.750 186.794 1.00 77.68 ? 196 VAL L O 1 ATOM 1460 C CB . VAL A 1 199 ? 56.323 44.514 184.518 1.00 76.65 ? 196 VAL L CB 1 ATOM 1461 C CG1 . VAL A 1 199 ? 56.175 43.909 183.151 1.00 75.88 ? 196 VAL L CG1 1 ATOM 1462 C CG2 . VAL A 1 199 ? 57.773 44.527 184.964 1.00 75.83 ? 196 VAL L CG2 1 ATOM 1463 N N . THR A 1 200 ? 54.011 45.842 186.280 1.00 78.35 ? 197 THR L N 1 ATOM 1464 C CA . THR A 1 200 ? 53.456 45.969 187.604 1.00 80.54 ? 197 THR L CA 1 ATOM 1465 C C . THR A 1 200 ? 53.022 44.561 187.962 1.00 87.13 ? 197 THR L C 1 ATOM 1466 O O . THR A 1 200 ? 52.375 43.898 187.147 1.00 87.68 ? 197 THR L O 1 ATOM 1467 C CB . THR A 1 200 ? 52.381 47.051 187.636 1.00 91.12 ? 197 THR L CB 1 ATOM 1468 O OG1 . THR A 1 200 ? 52.954 48.280 187.158 1.00 90.98 ? 197 THR L OG1 1 ATOM 1469 C CG2 . THR A 1 200 ? 51.797 47.241 189.027 1.00 90.17 ? 197 THR L CG2 1 ATOM 1470 N N . HIS A 1 201 ? 53.471 44.064 189.117 1.00 84.43 ? 198 HIS L N 1 ATOM 1471 C CA . HIS A 1 201 ? 53.179 42.698 189.547 1.00 84.51 ? 198 HIS L CA 1 ATOM 1472 C C . HIS A 1 201 ? 52.970 42.650 191.063 1.00 89.09 ? 198 HIS L C 1 ATOM 1473 O O . HIS A 1 201 ? 53.914 42.815 191.853 1.00 87.90 ? 198 HIS L O 1 ATOM 1474 C CB . HIS A 1 201 ? 54.255 41.717 189.014 1.00 84.16 ? 198 HIS L CB 1 ATOM 1475 C CG . HIS A 1 201 ? 54.225 40.342 189.605 1.00 87.12 ? 198 HIS L CG 1 ATOM 1476 N ND1 . HIS A 1 201 ? 55.076 39.984 190.637 1.00 88.61 ? 198 HIS L ND1 1 ATOM 1477 C CD2 . HIS A 1 201 ? 53.471 39.271 189.268 1.00 88.54 ? 198 HIS L CD2 1 ATOM 1478 C CE1 . HIS A 1 201 ? 54.808 38.716 190.894 1.00 87.98 ? 198 HIS L CE1 1 ATOM 1479 N NE2 . HIS A 1 201 ? 53.850 38.243 190.095 1.00 88.25 ? 198 HIS L NE2 1 ATOM 1480 N N . GLU A 1 202 ? 51.689 42.466 191.438 1.00 86.51 ? 199 GLU L N 1 ATOM 1481 C CA . GLU A 1 202 ? 51.175 42.438 192.807 1.00 86.95 ? 199 GLU L CA 1 ATOM 1482 C C . GLU A 1 202 ? 51.595 43.725 193.548 1.00 89.20 ? 199 GLU L C 1 ATOM 1483 O O . GLU A 1 202 ? 52.174 43.672 194.641 1.00 88.36 ? 199 GLU L O 1 ATOM 1484 C CB . GLU A 1 202 ? 51.553 41.132 193.559 1.00 88.42 ? 199 GLU L CB 1 ATOM 1485 C CG . GLU A 1 202 ? 51.287 39.826 192.820 1.00 99.91 ? 199 GLU L CG 1 ATOM 1486 C CD . GLU A 1 202 ? 49.862 39.554 192.376 1.00 125.93 ? 199 GLU L CD 1 ATOM 1487 O OE1 . GLU A 1 202 ? 49.095 38.969 193.177 1.00 115.21 ? 199 GLU L OE1 1 ATOM 1488 O OE2 . GLU A 1 202 ? 49.530 39.873 191.208 1.00 122.66 ? 199 GLU L OE2 1 ATOM 1489 N N . GLY A 1 203 ? 51.351 44.860 192.886 1.00 85.28 ? 200 GLY L N 1 ATOM 1490 C CA . GLY A 1 203 ? 51.656 46.197 193.391 1.00 85.60 ? 200 GLY L CA 1 ATOM 1491 C C . GLY A 1 203 ? 53.053 46.706 193.084 1.00 88.46 ? 200 GLY L C 1 ATOM 1492 O O . GLY A 1 203 ? 53.216 47.854 192.647 1.00 88.59 ? 200 GLY L O 1 ATOM 1493 N N . SER A 1 204 ? 54.073 45.859 193.347 1.00 82.97 ? 203 SER L N 1 ATOM 1494 C CA . SER A 1 204 ? 55.487 46.148 193.114 1.00 81.17 ? 203 SER L CA 1 ATOM 1495 C C . SER A 1 204 ? 55.763 46.243 191.605 1.00 82.67 ? 203 SER L C 1 ATOM 1496 O O . SER A 1 204 ? 55.356 45.365 190.831 1.00 81.28 ? 203 SER L O 1 ATOM 1497 C CB . SER A 1 204 ? 56.369 45.088 193.767 1.00 84.35 ? 203 SER L CB 1 ATOM 1498 O OG . SER A 1 204 ? 56.126 44.962 195.162 1.00 93.55 ? 203 SER L OG 1 ATOM 1499 N N . THR A 1 205 ? 56.424 47.345 191.210 1.00 77.49 ? 204 THR L N 1 ATOM 1500 C CA . THR A 1 205 ? 56.765 47.727 189.849 1.00 76.23 ? 204 THR L CA 1 ATOM 1501 C C . THR A 1 205 ? 58.279 47.602 189.577 1.00 79.03 ? 204 THR L C 1 ATOM 1502 O O . THR A 1 205 ? 59.078 47.892 190.463 1.00 78.92 ? 204 THR L O 1 ATOM 1503 C CB . THR A 1 205 ? 56.159 49.127 189.596 1.00 85.82 ? 204 THR L CB 1 ATOM 1504 O OG1 . THR A 1 205 ? 54.758 48.978 189.369 1.00 84.28 ? 204 THR L OG1 1 ATOM 1505 C CG2 . THR A 1 205 ? 56.793 49.878 188.429 1.00 86.16 ? 204 THR L CG2 1 ATOM 1506 N N . VAL A 1 206 ? 58.658 47.149 188.351 1.00 74.78 ? 205 VAL L N 1 ATOM 1507 C CA . VAL A 1 206 ? 60.042 46.972 187.863 1.00 73.75 ? 205 VAL L CA 1 ATOM 1508 C C . VAL A 1 206 ? 60.209 47.810 186.564 1.00 78.35 ? 205 VAL L C 1 ATOM 1509 O O . VAL A 1 206 ? 59.389 47.679 185.652 1.00 78.16 ? 205 VAL L O 1 ATOM 1510 C CB . VAL A 1 206 ? 60.392 45.469 187.648 1.00 76.42 ? 205 VAL L CB 1 ATOM 1511 C CG1 . VAL A 1 206 ? 61.795 45.291 187.073 1.00 75.54 ? 205 VAL L CG1 1 ATOM 1512 C CG2 . VAL A 1 206 ? 60.250 44.670 188.941 1.00 76.35 ? 205 VAL L CG2 1 ATOM 1513 N N . GLU A 1 207 ? 61.258 48.670 186.489 1.00 74.54 ? 206 GLU L N 1 ATOM 1514 C CA . GLU A 1 207 ? 61.479 49.585 185.355 1.00 73.72 ? 206 GLU L CA 1 ATOM 1515 C C . GLU A 1 207 ? 62.889 49.541 184.749 1.00 76.99 ? 206 GLU L C 1 ATOM 1516 O O . GLU A 1 207 ? 63.873 49.889 185.414 1.00 76.21 ? 206 GLU L O 1 ATOM 1517 C CB . GLU A 1 207 ? 61.095 51.043 185.757 1.00 75.58 ? 206 GLU L CB 1 ATOM 1518 C CG . GLU A 1 207 ? 60.945 52.041 184.612 1.00 88.68 ? 206 GLU L CG 1 ATOM 1519 C CD . GLU A 1 207 ? 60.773 53.516 184.965 1.00 111.31 ? 206 GLU L CD 1 ATOM 1520 O OE1 . GLU A 1 207 ? 59.834 54.142 184.417 1.00 115.25 ? 206 GLU L OE1 1 ATOM 1521 O OE2 . GLU A 1 207 ? 61.612 54.065 185.721 1.00 89.42 ? 206 GLU L OE2 1 ATOM 1522 N N . LYS A 1 208 ? 62.970 49.178 183.455 1.00 72.91 ? 207 LYS L N 1 ATOM 1523 C CA . LYS A 1 208 ? 64.223 49.216 182.698 1.00 72.02 ? 207 LYS L CA 1 ATOM 1524 C C . LYS A 1 208 ? 64.203 50.381 181.706 1.00 76.69 ? 207 LYS L C 1 ATOM 1525 O O . LYS A 1 208 ? 63.131 50.818 181.283 1.00 76.63 ? 207 LYS L O 1 ATOM 1526 C CB . LYS A 1 208 ? 64.533 47.886 181.989 1.00 72.81 ? 207 LYS L CB 1 ATOM 1527 C CG . LYS A 1 208 ? 65.296 46.871 182.836 1.00 74.76 ? 207 LYS L CG 1 ATOM 1528 C CD . LYS A 1 208 ? 66.617 47.378 183.432 1.00 77.88 ? 207 LYS L CD 1 ATOM 1529 C CE . LYS A 1 208 ? 67.408 46.269 184.062 1.00 84.81 ? 207 LYS L CE 1 ATOM 1530 N NZ . LYS A 1 208 ? 66.615 45.480 185.052 1.00 96.47 ? 207 LYS L NZ 1 ATOM 1531 N N . THR A 1 209 ? 65.383 50.898 181.356 1.00 74.38 ? 208 THR L N 1 ATOM 1532 C CA . THR A 1 209 ? 65.504 52.012 180.422 1.00 75.46 ? 208 THR L CA 1 ATOM 1533 C C . THR A 1 209 ? 66.594 51.724 179.435 1.00 79.52 ? 208 THR L C 1 ATOM 1534 O O . THR A 1 209 ? 67.575 51.045 179.762 1.00 79.14 ? 208 THR L O 1 ATOM 1535 C CB . THR A 1 209 ? 65.719 53.351 181.191 1.00 85.54 ? 208 THR L CB 1 ATOM 1536 O OG1 . THR A 1 209 ? 64.530 53.645 181.924 1.00 84.48 ? 208 THR L OG1 1 ATOM 1537 C CG2 . THR A 1 209 ? 66.073 54.565 180.266 1.00 83.53 ? 208 THR L CG2 1 ATOM 1538 N N . VAL A 1 210 ? 66.412 52.256 178.228 1.00 76.49 ? 209 VAL L N 1 ATOM 1539 C CA . VAL A 1 210 ? 67.366 52.207 177.130 1.00 76.60 ? 209 VAL L CA 1 ATOM 1540 C C . VAL A 1 210 ? 67.276 53.523 176.293 1.00 81.00 ? 209 VAL L C 1 ATOM 1541 O O . VAL A 1 210 ? 66.197 54.131 176.211 1.00 79.91 ? 209 VAL L O 1 ATOM 1542 C CB . VAL A 1 210 ? 67.276 50.879 176.318 1.00 79.51 ? 209 VAL L CB 1 ATOM 1543 C CG1 . VAL A 1 210 ? 66.004 50.797 175.473 1.00 78.62 ? 209 VAL L CG1 1 ATOM 1544 C CG2 . VAL A 1 210 ? 68.526 50.659 175.474 1.00 79.41 ? 209 VAL L CG2 1 ATOM 1545 N N . ALA A 1 211 ? 68.423 53.992 175.758 1.00 78.74 ? 210 ALA L N 1 ATOM 1546 C CA . ALA A 1 211 ? 68.503 55.217 174.949 1.00 79.84 ? 210 ALA L CA 1 ATOM 1547 C C . ALA A 1 211 ? 69.227 54.973 173.625 1.00 87.34 ? 210 ALA L C 1 ATOM 1548 O O . ALA A 1 211 ? 70.228 54.247 173.609 1.00 87.41 ? 210 ALA L O 1 ATOM 1549 C CB . ALA A 1 211 ? 69.206 56.321 175.717 1.00 80.87 ? 210 ALA L CB 1 ATOM 1550 N N . PRO A 1 212 ? 68.780 55.595 172.505 1.00 85.66 ? 211 PRO L N 1 ATOM 1551 C CA . PRO A 1 212 ? 69.501 55.411 171.235 1.00 85.75 ? 211 PRO L CA 1 ATOM 1552 C C . PRO A 1 212 ? 70.935 55.982 171.258 1.00 92.36 ? 211 PRO L C 1 ATOM 1553 O O . PRO A 1 212 ? 71.277 56.839 172.101 1.00 92.34 ? 211 PRO L O 1 ATOM 1554 C CB . PRO A 1 212 ? 68.598 56.113 170.212 1.00 87.31 ? 211 PRO L CB 1 ATOM 1555 C CG . PRO A 1 212 ? 67.266 56.282 170.898 1.00 91.16 ? 211 PRO L CG 1 ATOM 1556 C CD . PRO A 1 212 ? 67.622 56.494 172.323 1.00 87.30 ? 211 PRO L CD 1 ATOM 1557 N N . THR A 1 213 ? 71.782 55.472 170.334 1.00 89.35 ? 212 THR L N 1 ATOM 1558 C CA . THR A 1 213 ? 73.195 55.844 170.195 1.00 107.26 ? 212 THR L CA 1 ATOM 1559 C C . THR A 1 213 ? 73.480 56.427 168.802 1.00 133.17 ? 212 THR L C 1 ATOM 1560 O O . THR A 1 213 ? 73.733 57.624 168.660 1.00 92.44 ? 212 THR L O 1 ATOM 1561 C CB . THR A 1 213 ? 74.086 54.627 170.523 1.00 111.12 ? 212 THR L CB 1 ATOM 1562 O OG1 . THR A 1 213 ? 73.600 53.476 169.817 1.00 106.68 ? 212 THR L OG1 1 ATOM 1563 C CG2 . THR A 1 213 ? 74.150 54.326 172.031 1.00 107.95 ? 212 THR L CG2 1 HETATM 1564 C C1 . NAG B 2 . ? 29.280 14.687 188.367 1.00 106.98 ? 500 NAG L C1 1 HETATM 1565 C C2 . NAG B 2 . ? 29.000 16.039 189.093 1.00 110.54 ? 500 NAG L C2 1 HETATM 1566 C C3 . NAG B 2 . ? 28.796 15.794 190.617 1.00 112.50 ? 500 NAG L C3 1 HETATM 1567 C C4 . NAG B 2 . ? 28.104 14.451 191.047 1.00 112.87 ? 500 NAG L C4 1 HETATM 1568 C C5 . NAG B 2 . ? 28.454 13.305 190.054 1.00 110.33 ? 500 NAG L C5 1 HETATM 1569 C C6 . NAG B 2 . ? 27.720 11.960 190.232 1.00 111.28 ? 500 NAG L C6 1 HETATM 1570 C C7 . NAG B 2 . ? 30.540 17.611 187.741 1.00 112.80 ? 500 NAG L C7 1 HETATM 1571 C C8 . NAG B 2 . ? 31.498 18.750 187.976 1.00 113.93 ? 500 NAG L C8 1 HETATM 1572 N N2 . NAG B 2 . ? 29.982 17.129 188.917 1.00 111.67 ? 500 NAG L N2 1 HETATM 1573 O O3 . NAG B 2 . ? 28.098 16.942 191.131 1.00 116.59 ? 500 NAG L O3 1 HETATM 1574 O O4 . NAG B 2 . ? 28.678 14.069 192.310 1.00 115.03 ? 500 NAG L O4 1 HETATM 1575 O O5 . NAG B 2 . ? 28.259 13.757 188.717 1.00 108.83 ? 500 NAG L O5 1 HETATM 1576 O O6 . NAG B 2 . ? 28.585 10.882 189.859 1.00 111.01 ? 500 NAG L O6 1 HETATM 1577 O O7 . NAG B 2 . ? 30.306 17.193 186.598 1.00 114.26 ? 500 NAG L O7 1 HETATM 1578 C C1 . NAG C 2 . ? 27.813 14.107 193.458 1.00 118.16 ? 501 NAG L C1 1 HETATM 1579 C C2 . NAG C 2 . ? 28.439 13.175 194.568 1.00 118.91 ? 501 NAG L C2 1 HETATM 1580 C C3 . NAG C 2 . ? 27.964 13.547 196.036 1.00 121.78 ? 501 NAG L C3 1 HETATM 1581 C C4 . NAG C 2 . ? 27.761 15.093 196.355 1.00 124.04 ? 501 NAG L C4 1 HETATM 1582 C C5 . NAG C 2 . ? 27.040 15.794 195.135 1.00 124.20 ? 501 NAG L C5 1 HETATM 1583 C C6 . NAG C 2 . ? 26.861 17.337 195.281 1.00 127.13 ? 501 NAG L C6 1 HETATM 1584 C C7 . NAG C 2 . ? 28.821 10.708 194.060 1.00 119.03 ? 501 NAG L C7 1 HETATM 1585 C C8 . NAG C 2 . ? 28.008 9.457 193.852 1.00 120.03 ? 501 NAG L C8 1 HETATM 1586 N N2 . NAG C 2 . ? 28.015 11.786 194.309 1.00 119.30 ? 501 NAG L N2 1 HETATM 1587 O O3 . NAG C 2 . ? 28.692 12.752 197.042 1.00 122.74 ? 501 NAG L O3 1 HETATM 1588 O O4 . NAG C 2 . ? 27.196 15.408 197.697 1.00 128.06 ? 501 NAG L O4 1 HETATM 1589 O O5 . NAG C 2 . ? 27.689 15.492 193.845 1.00 120.95 ? 501 NAG L O5 1 HETATM 1590 O O6 . NAG C 2 . ? 27.265 18.115 194.139 1.00 128.69 ? 501 NAG L O6 1 HETATM 1591 O O7 . NAG C 2 . ? 30.056 10.746 194.014 1.00 119.49 ? 501 NAG L O7 1 HETATM 1592 O O . HOH D 3 . ? 41.615 7.861 189.909 1.00 46.72 ? 216 HOH L O 1 HETATM 1593 O O . HOH D 3 . ? 48.061 8.853 191.324 1.00 39.46 ? 217 HOH L O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . SER A 2 ? 1.7208 1.4615 0.6877 0.1303 0.0579 -0.0413 2 SER L N 2 C CA . SER A 2 ? 1.7531 1.4720 0.6922 0.1439 0.0538 -0.0445 2 SER L CA 3 C C . SER A 2 ? 1.7920 1.4565 0.7198 0.1223 0.0503 -0.0389 2 SER L C 4 O O . SER A 2 ? 1.7832 1.4214 0.7172 0.1016 0.0490 -0.0336 2 SER L O 5 C CB . SER A 2 ? 1.7439 1.5221 0.7052 0.1476 0.0620 -0.0451 2 SER L CB 6 N N . ALA A 3 ? 1.7306 1.3798 0.6407 0.1278 0.0484 -0.0400 3 ALA L N 7 C CA . ALA A 3 ? 1.7230 1.3247 0.6203 0.1089 0.0450 -0.0349 3 ALA L CA 8 C C . ALA A 3 ? 1.7239 1.3501 0.6388 0.1002 0.0516 -0.0323 3 ALA L C 9 O O . ALA A 3 ? 1.7188 1.3870 0.6405 0.1165 0.0557 -0.0364 3 ALA L O 10 C CB . ALA A 3 ? 1.7874 1.3251 0.6300 0.1263 0.0320 -0.0394 3 ALA L CB 11 N N . LEU A 4 ? 1.6385 1.2392 0.5593 0.0749 0.0522 -0.0255 4 LEU L N 12 C CA . LEU A 4 ? 1.5984 1.2156 0.5340 0.0644 0.0578 -0.0225 4 LEU L CA 13 C C . LEU A 4 ? 1.6930 1.2773 0.5893 0.0830 0.0508 -0.0271 4 LEU L C 14 O O . LEU A 4 ? 1.7400 1.2672 0.5994 0.0850 0.0411 -0.0275 4 LEU L O 15 C CB . LEU A 4 ? 1.5607 1.1622 0.5151 0.0321 0.0604 -0.0139 4 LEU L CB 16 C CG . LEU A 4 ? 1.5454 1.1896 0.5455 0.0099 0.0701 -0.0082 4 LEU L CG 17 C CD1 . LEU A 4 ? 1.5187 1.2151 0.5416 0.0192 0.0757 -0.0109 4 LEU L CD1 18 C CD2 . LEU A 4 ? 1.5481 1.1685 0.5565 -0.0130 0.0688 -0.0023 4 LEU L CD2 19 N N . THR A 5 ? 1.6251 1.2442 0.5273 0.0955 0.0553 -0.0301 5 THR L N 20 C CA . THR A 5 ? 1.6478 1.2409 0.5140 0.1151 0.0492 -0.0350 5 THR L CA 21 C C . THR A 5 ? 1.6418 1.2135 0.5110 0.0936 0.0506 -0.0290 5 THR L C 22 O O . THR A 5 ? 1.6010 1.2094 0.5069 0.0748 0.0597 -0.0241 5 THR L O 23 C CB . THR A 5 ? 1.7881 1.4346 0.6593 0.1407 0.0534 -0.0415 5 THR L CB 24 O OG1 . THR A 5 ? 1.8067 1.4873 0.6869 0.1547 0.0548 -0.0454 5 THR L OG1 25 C CG2 . THR A 5 ? 1.8094 1.4280 0.6364 0.1694 0.0453 -0.0488 5 THR L CG2 26 N N . GLN A 6 ? 1.5905 1.1020 0.4195 0.0958 0.0409 -0.0294 6 GLN L N 27 C CA . GLN A 6 ? 1.5669 1.0561 0.3935 0.0780 0.0411 -0.0244 6 GLN L CA 28 C C . GLN A 6 ? 1.6372 1.0805 0.4142 0.0978 0.0312 -0.0293 6 GLN L C 29 O O . GLN A 6 ? 1.6641 1.0768 0.4022 0.1214 0.0216 -0.0355 6 GLN L O 30 C CB . GLN A 6 ? 1.5566 1.0261 0.3994 0.0442 0.0422 -0.0155 6 GLN L CB 31 C CG . GLN A 6 ? 1.5789 1.0027 0.3976 0.0379 0.0334 -0.0140 6 GLN L CG 32 C CD . GLN A 6 ? 1.5708 0.9802 0.4046 0.0047 0.0347 -0.0051 6 GLN L CD 33 O OE1 . GLN A 6 ? 1.3512 0.7691 0.2041 -0.0093 0.0366 -0.0016 6 GLN L OE1 34 N NE2 . GLN A 6 ? 1.4160 0.8040 0.2402 -0.0080 0.0333 -0.0013 6 GLN L NE2 35 N N . PRO A 7 ? 1.5816 1.0203 0.3572 0.0915 0.0328 -0.0272 7 PRO L N 36 C CA . PRO A 7 ? 1.6183 1.0120 0.3443 0.1116 0.0228 -0.0322 7 PRO L CA 37 C C . PRO A 7 ? 1.7177 1.0378 0.3954 0.1090 0.0090 -0.0313 7 PRO L C 38 O O . PRO A 7 ? 1.7139 1.0183 0.4011 0.0843 0.0084 -0.0250 7 PRO L O 39 C CB . PRO A 7 ? 1.6136 1.0145 0.3542 0.0955 0.0280 -0.0276 7 PRO L CB 40 C CG . PRO A 7 ? 1.6270 1.0519 0.4125 0.0621 0.0369 -0.0190 7 PRO L CG 41 C CD . PRO A 7 ? 1.5532 1.0224 0.3683 0.0660 0.0428 -0.0205 7 PRO L CD 42 N N . ALA A 8 ? 1.7044 0.9798 0.3288 0.1346 -0.0028 -0.0379 8 ALA L N 43 C CA . ALA A 8 ? 1.7458 0.9467 0.3182 0.1318 -0.0176 -0.0370 8 ALA L CA 44 C C . ALA A 8 ? 1.8159 0.9742 0.3741 0.1036 -0.0216 -0.0291 8 ALA L C 45 O O . ALA A 8 ? 1.8039 0.9337 0.3581 0.0775 -0.0254 -0.0221 8 ALA L O 46 C CB . ALA A 8 ? 1.8127 0.9762 0.3282 0.1703 -0.0303 -0.0471 8 ALA L CB 47 N N . SER A 9 ? 1.8071 0.9650 0.3590 0.1080 -0.0205 -0.0299 9 SER L N 48 C CA . SER A 9 ? 1.8240 0.9429 0.3598 0.0838 -0.0246 -0.0229 9 SER L CA 49 C C . SER A 9 ? 1.8230 0.9877 0.4002 0.0732 -0.0123 -0.0200 9 SER L C 50 O O . SER A 9 ? 1.8146 1.0217 0.4088 0.0943 -0.0055 -0.0257 9 SER L O 51 C CB . SER A 9 ? 1.9514 1.0006 0.4177 0.1022 -0.0408 -0.0274 9 SER L CB 52 O OG . SER A 9 ? 2.1056 1.1142 0.5529 0.0768 -0.0458 -0.0201 9 SER L OG 53 N N . VAL A 10 ? 1.7372 0.8938 0.3291 0.0402 -0.0098 -0.0110 11 VAL L N 54 C CA . VAL A 10 ? 1.6892 0.8780 0.3150 0.0250 0.0002 -0.0068 11 VAL L CA 55 C C . VAL A 10 ? 1.7670 0.9059 0.3651 0.0012 -0.0074 0.0001 11 VAL L C 56 O O . VAL A 10 ? 1.7608 0.8711 0.3474 -0.0200 -0.0130 0.0059 11 VAL L O 57 C CB . VAL A 10 ? 1.6670 0.9194 0.3567 0.0069 0.0149 -0.0024 11 VAL L CB 58 C CG1 . VAL A 10 ? 1.6279 0.9067 0.3466 -0.0084 0.0236 0.0018 11 VAL L CG1 59 C CG2 . VAL A 10 ? 1.6428 0.9450 0.3579 0.0283 0.0218 -0.0087 11 VAL L CG2 60 N N . SER A 11 ? 1.7512 0.8805 0.3369 0.0048 -0.0079 -0.0004 12 SER L N 61 C CA . SER A 11 ? 1.7725 0.8584 0.3324 -0.0171 -0.0146 0.0061 12 SER L CA 62 C C . SER A 11 ? 1.7813 0.9070 0.3823 -0.0328 -0.0029 0.0103 12 SER L C 63 O O . SER A 11 ? 1.7439 0.9112 0.3704 -0.0171 0.0058 0.0059 12 SER L O 64 C CB . SER A 11 ? 1.8760 0.8994 0.3707 0.0024 -0.0292 0.0013 12 SER L CB 65 O OG . SER A 11 ? 1.9961 0.9835 0.4516 0.0205 -0.0403 -0.0036 12 SER L OG 66 N N . GLY A 12 ? 1.7394 0.8547 0.3468 -0.0641 -0.0029 0.0190 13 GLY L N 67 C CA . GLY A 12 ? 1.6993 0.8474 0.3426 -0.0815 0.0070 0.0238 13 GLY L CA 68 C C . GLY A 12 ? 1.7776 0.8879 0.3953 -0.1034 0.0005 0.0304 13 GLY L C 69 O O . GLY A 12 ? 1.7969 0.8605 0.3767 -0.1164 -0.0107 0.0343 13 GLY L O 70 N N . SER A 13 ? 1.7281 0.8588 0.3651 -0.1086 0.0073 0.0319 14 SER L N 71 C CA . SER A 13 ? 1.7450 0.8462 0.3619 -0.1299 0.0025 0.0384 14 SER L CA 72 C C . SER A 13 ? 1.7915 0.9231 0.4457 -0.1604 0.0093 0.0466 14 SER L C 73 O O . SER A 13 ? 1.7361 0.9181 0.4378 -0.1609 0.0204 0.0461 14 SER L O 74 C CB . SER A 13 ? 1.7556 0.8586 0.3689 -0.1184 0.0049 0.0355 14 SER L CB 75 O OG . SER A 13 ? 1.8141 0.8850 0.3867 -0.0893 -0.0032 0.0278 14 SER L OG 76 N N . PRO A 14 ? 1.7805 0.8823 0.4115 -0.1858 0.0020 0.0541 15 PRO L N 77 C CA . PRO A 14 ? 1.7377 0.8712 0.4021 -0.2129 0.0078 0.0615 15 PRO L CA 78 C C . PRO A 14 ? 1.7103 0.8918 0.4209 -0.2185 0.0203 0.0628 15 PRO L C 79 O O . PRO A 14 ? 1.7035 0.8768 0.4063 -0.2234 0.0202 0.0646 15 PRO L O 80 C CB . PRO A 14 ? 1.7985 0.8881 0.4210 -0.2372 -0.0042 0.0690 15 PRO L CB 81 C CG . PRO A 14 ? 1.9086 0.9387 0.4741 -0.2223 -0.0173 0.0652 15 PRO L CG 82 C CD . PRO A 14 ? 1.8505 0.8890 0.4219 -0.1916 -0.0126 0.0565 15 PRO L CD 83 N N . GLY A 15 ? 1.6101 0.8386 0.3658 -0.2170 0.0302 0.0617 16 GLY L N 84 C CA . GLY A 15 ? 1.5633 0.8375 0.3632 -0.2214 0.0416 0.0626 16 GLY L CA 85 C C . GLY A 15 ? 1.5725 0.8824 0.4041 -0.2019 0.0506 0.0564 16 GLY L C 86 O O . GLY A 15 ? 1.5056 0.8555 0.3761 -0.2067 0.0595 0.0573 16 GLY L O 87 N N . GLN A 16 ? 1.5625 0.8576 0.3747 -0.1796 0.0474 0.0502 17 GLN L N 88 C CA . GLN A 16 ? 1.5382 0.8660 0.3736 -0.1594 0.0544 0.0441 17 GLN L CA 89 C C . GLN A 16 ? 1.5222 0.8772 0.3840 -0.1603 0.0583 0.0438 17 GLN L C 90 O O . GLN A 16 ? 1.4961 0.8386 0.3519 -0.1725 0.0542 0.0472 17 GLN L O 91 C CB . GLN A 16 ? 1.6007 0.9016 0.4006 -0.1341 0.0479 0.0374 17 GLN L CB 92 C CG . GLN A 16 ? 1.6533 0.9172 0.4169 -0.1297 0.0414 0.0369 17 GLN L CG 93 C CD . GLN A 16 ? 1.7926 1.0861 0.5802 -0.1287 0.0497 0.0365 17 GLN L CD 94 O OE1 . GLN A 16 ? 1.7208 1.0540 0.5357 -0.1164 0.0576 0.0326 17 GLN L OE1 95 N NE2 . GLN A 16 ? 1.6303 0.9069 0.4090 -0.1437 0.0482 0.0410 17 GLN L NE2 96 N N . SER A 17 ? 1.4558 0.8480 0.3447 -0.1475 0.0657 0.0397 18 SER L N 97 C CA . SER A 17 ? 1.4288 0.8461 0.3404 -0.1459 0.0691 0.0387 18 SER L CA 98 C C . SER A 17 ? 1.4931 0.8989 0.3827 -0.1232 0.0646 0.0325 18 SER L C 99 O O . SER A 17 ? 1.5387 0.9278 0.4030 -0.1068 0.0610 0.0283 18 SER L O 100 C CB . SER A 17 ? 1.4302 0.8950 0.3830 -0.1481 0.0791 0.0387 18 SER L CB 101 O OG . SER A 17 ? 1.5505 1.0231 0.5203 -0.1672 0.0823 0.0440 18 SER L OG 102 N N . ILE A 18 ? 1.3876 0.8004 0.2842 -0.1214 0.0640 0.0317 19 ILE L N 103 C CA . ILE A 18 ? 1.3821 0.7853 0.2585 -0.0996 0.0596 0.0257 19 ILE L CA 104 C C . ILE A 18 ? 1.3727 0.8152 0.2794 -0.0947 0.0656 0.0238 19 ILE L C 105 O O . ILE A 18 ? 1.3459 0.8047 0.2781 -0.1112 0.0693 0.0279 19 ILE L O 106 C CB . ILE A 18 ? 1.4658 0.8160 0.2998 -0.1012 0.0479 0.0266 19 ILE L CB 107 C CG1 . ILE A 18 ? 1.5256 0.8459 0.3190 -0.0758 0.0401 0.0200 19 ILE L CG1 108 C CG2 . ILE A 18 ? 1.4640 0.8127 0.3037 -0.1100 0.0460 0.0287 19 ILE L CG2 109 C CD1 . ILE A 18 ? 1.7558 1.0514 0.5248 -0.0734 0.0366 0.0198 19 ILE L CD1 110 N N . THR A 19 ? 1.3329 0.7928 0.2368 -0.0719 0.0665 0.0175 20 THR L N 111 C CA . THR A 19 ? 1.3195 0.8174 0.2505 -0.0678 0.0718 0.0158 20 THR L CA 112 C C . THR A 19 ? 1.4285 0.9150 0.3374 -0.0470 0.0661 0.0102 20 THR L C 113 O O . THR A 19 ? 1.4576 0.9391 0.3431 -0.0236 0.0628 0.0041 20 THR L O 114 C CB . THR A 19 ? 1.4072 0.9564 0.3735 -0.0694 0.0816 0.0159 20 THR L CB 115 O OG1 . THR A 19 ? 1.3882 0.9410 0.3737 -0.0915 0.0855 0.0219 20 THR L OG1 116 C CG2 . THR A 19 ? 1.3934 0.9811 0.3869 -0.0686 0.0865 0.0153 20 THR L CG2 117 N N . ILE A 20 ? 1.3717 0.8556 0.2880 -0.0548 0.0650 0.0120 21 ILE L N 118 C CA . ILE A 20 ? 1.3854 0.8605 0.2844 -0.0374 0.0600 0.0072 21 ILE L CA 119 C C . ILE A 20 ? 1.3975 0.9232 0.3318 -0.0346 0.0678 0.0060 21 ILE L C 120 O O . ILE A 20 ? 1.3600 0.9018 0.3223 -0.0532 0.0722 0.0107 21 ILE L O 121 C CB . ILE A 20 ? 1.4422 0.8740 0.3190 -0.0477 0.0518 0.0101 21 ILE L CB 122 C CG1 . ILE A 20 ? 1.4722 0.8555 0.3166 -0.0584 0.0442 0.0135 21 ILE L CG1 123 C CG2 . ILE A 20 ? 1.4750 0.8929 0.3278 -0.0263 0.0455 0.0042 21 ILE L CG2 124 C CD1 . ILE A 20 ? 1.4805 0.8298 0.3098 -0.0770 0.0374 0.0186 21 ILE L CD1 125 N N . SER A 21 ? 1.3669 0.9181 0.2983 -0.0113 0.0690 -0.0003 22 SER L N 126 C CA . SER A 21 ? 1.3404 0.9412 0.3015 -0.0077 0.0756 -0.0016 22 SER L CA 127 C C . SER A 21 ? 1.4284 1.0161 0.3804 -0.0012 0.0711 -0.0035 22 SER L C 128 O O . SER A 21 ? 1.4615 1.0021 0.3799 0.0044 0.0623 -0.0049 22 SER L O 129 C CB . SER A 21 ? 1.3825 1.0205 0.3433 0.0143 0.0786 -0.0073 22 SER L CB 130 O OG . SER A 21 ? 1.5567 1.1655 0.4769 0.0404 0.0705 -0.0140 22 SER L OG 131 N N . CYS A 22 ? 1.3629 0.9911 0.3430 -0.0029 0.0767 -0.0034 23 CYS L N 132 C CA . CYS A 22 ? 1.3597 0.9846 0.3383 0.0018 0.0740 -0.0049 23 CYS L CA 133 C C . CYS A 22 ? 1.4156 1.0979 0.4205 0.0093 0.0808 -0.0071 23 CYS L C 134 O O . CYS A 22 ? 1.3806 1.0948 0.4190 -0.0090 0.0876 -0.0025 23 CYS L O 135 C CB . CYS A 22 ? 1.3424 0.9507 0.3358 -0.0238 0.0743 0.0017 23 CYS L CB 136 S SG . CYS A 22 ? 1.3849 0.9966 0.3859 -0.0239 0.0729 0.0013 23 CYS L SG 137 N N . ASN A 23 ? 1.4136 1.1098 0.4011 0.0366 0.0785 -0.0142 24 ASN L N 138 C CA . ASN A 23 ? 1.4035 1.1585 0.4112 0.0469 0.0842 -0.0170 24 ASN L CA 139 C C . ASN A 23 ? 1.4612 1.2277 0.4781 0.0486 0.0840 -0.0177 24 ASN L C 140 O O . ASN A 23 ? 1.4807 1.2141 0.4718 0.0626 0.0770 -0.0215 24 ASN L O 141 C CB . ASN A 23 ? 1.4436 1.2144 0.4286 0.0771 0.0821 -0.0247 24 ASN L CB 142 C CG . ASN A 23 ? 1.7680 1.5449 0.7517 0.0756 0.0844 -0.0240 24 ASN L CG 143 O OD1 . ASN A 23 ? 1.6269 1.3959 0.6268 0.0514 0.0878 -0.0176 24 ASN L OD1 144 N ND2 . ASN A 23 ? 1.7556 1.5472 0.7186 0.1029 0.0823 -0.0309 24 ASN L ND2 145 N N . GLY A 24 ? 1.4067 1.2184 0.4580 0.0339 0.0912 -0.0140 25 GLY L N 146 C CA . GLY A 24 ? 1.4166 1.2440 0.4809 0.0324 0.0919 -0.0138 25 GLY L CA 147 C C . GLY A 24 ? 1.4958 1.3871 0.5827 0.0352 0.0980 -0.0145 25 GLY L C 148 O O . GLY A 24 ? 1.5012 1.4268 0.5858 0.0479 0.1001 -0.0175 25 GLY L O 149 N N . THR A 25 ? 1.4589 1.3666 0.5659 0.0237 0.1002 -0.0117 26 THR L N 150 C CA . THR A 25 ? 1.4556 1.4226 0.5851 0.0213 0.1054 -0.0109 26 THR L CA 151 C C . THR A 25 ? 1.5054 1.4846 0.6646 -0.0101 0.1099 -0.0028 26 THR L C 152 O O . THR A 25 ? 1.4997 1.4411 0.6620 -0.0269 0.1088 0.0014 26 THR L O 153 C CB . THR A 25 ? 1.6110 1.5900 0.7323 0.0414 0.1028 -0.0163 26 THR L CB 154 O OG1 . THR A 25 ? 1.6105 1.6505 0.7543 0.0367 0.1079 -0.0149 26 THR L OG1 155 C CG2 . THR A 25 ? 1.5967 1.5342 0.7152 0.0349 0.0990 -0.0150 26 THR L CG2 156 N N . SER A 26 ? 1.4449 1.4777 0.6238 -0.0174 0.1144 -0.0007 27 SER L N 157 C CA . SER A 26 ? 1.4117 1.4602 0.6151 -0.0452 0.1176 0.0065 27 SER L CA 158 C C . SER A 26 ? 1.4557 1.4746 0.6632 -0.0517 0.1152 0.0079 27 SER L C 159 O O . SER A 26 ? 1.4335 1.4448 0.6561 -0.0742 0.1161 0.0136 27 SER L O 160 C CB . SER A 26 ? 1.4359 1.5481 0.6529 -0.0482 0.1214 0.0076 27 SER L CB 161 O OG . SER A 26 ? 1.5272 1.6646 0.7374 -0.0258 0.1205 0.0019 27 SER L OG 162 N N . ASN A 27 A 1.4234 1.4237 0.6151 -0.0313 0.1114 0.0023 27 ASN L N 163 C CA . ASN A 27 A 1.4277 1.4003 0.6206 -0.0349 0.1087 0.0030 27 ASN L CA 164 C C . ASN A 27 A 1.4847 1.4006 0.6677 -0.0423 0.1051 0.0047 27 ASN L C 165 O O . ASN A 27 A 1.4812 1.3744 0.6669 -0.0491 0.1030 0.0062 27 ASN L O 166 C CB . ASN A 27 A 1.4754 1.4560 0.6556 -0.0111 0.1060 -0.0033 27 ASN L CB 167 C CG . ASN A 27 A 1.6152 1.5953 0.8068 -0.0183 0.1055 -0.0017 27 ASN L CG 168 O OD1 . ASN A 27 A 1.3839 1.3237 0.5722 -0.0250 0.1025 -0.0002 27 ASN L OD1 169 N ND2 . ASN A 27 A 1.5358 1.5629 0.7405 -0.0172 0.1084 -0.0018 27 ASN L ND2 170 N N . ASP A 28 B 1.4324 1.3281 0.6043 -0.0420 0.1043 0.0047 27 ASP L N 171 C CA . ASP A 28 B 1.4225 1.2691 0.5845 -0.0506 0.1009 0.0069 27 ASP L CA 172 C C . ASP A 28 B 1.4369 1.2796 0.6058 -0.0659 0.1034 0.0111 27 ASP L C 173 O O . ASP A 28 B 1.4214 1.2692 0.6090 -0.0858 0.1058 0.0162 27 ASP L O 174 C CB . ASP A 28 B 1.4737 1.2812 0.6042 -0.0316 0.0945 0.0019 27 ASP L CB 175 C CG . ASP A 28 B 1.6399 1.4589 0.7504 -0.0063 0.0929 -0.0046 27 ASP L CG 176 O OD1 . ASP A 28 B 1.6431 1.4747 0.7534 -0.0056 0.0953 -0.0045 27 ASP L OD1 177 O OD2 . ASP A 28 B 1.7503 1.5638 0.8433 0.0136 0.0889 -0.0099 27 ASP L OD2 178 N N . VAL A 29 C 1.3698 1.2032 0.5223 -0.0558 0.1024 0.0086 27 VAL L N 179 C CA . VAL A 29 C 1.3470 1.1745 0.5030 -0.0680 0.1043 0.0120 27 VAL L CA 180 C C . VAL A 29 C 1.3849 1.2549 0.5636 -0.0806 0.1099 0.0153 27 VAL L C 181 O O . VAL A 29 C 1.3659 1.2306 0.5559 -0.0991 0.1115 0.0202 27 VAL L O 182 C CB . VAL A 29 C 1.4079 1.2165 0.5390 -0.0521 0.1015 0.0080 27 VAL L CB 183 C CG1 . VAL A 29 C 1.3961 1.2010 0.5318 -0.0648 0.1039 0.0115 27 VAL L CG1 184 C CG2 . VAL A 29 C 1.4266 1.1866 0.5307 -0.0430 0.0945 0.0056 27 VAL L CG2 185 N N . GLY A 30 ? 1.3502 1.2614 0.5333 -0.0708 0.1121 0.0128 28 GLY L N 186 C CA . GLY A 30 ? 1.3352 1.2916 0.5361 -0.0825 0.1167 0.0161 28 GLY L CA 187 C C . GLY A 30 ? 1.3660 1.3317 0.5869 -0.1055 0.1181 0.0219 28 GLY L C 188 O O . GLY A 30 ? 1.3561 1.3380 0.5874 -0.1223 0.1203 0.0264 28 GLY L O 189 N N . GLY A 31 ? 1.3036 1.2583 0.5282 -0.1062 0.1164 0.0219 29 GLY L N 190 C CA . GLY A 31 ? 1.2803 1.2426 0.5213 -0.1259 0.1169 0.0269 29 GLY L CA 191 C C . GLY A 31 ? 1.3042 1.2277 0.5477 -0.1374 0.1145 0.0297 29 GLY L C 192 O O . GLY A 31 ? 1.2689 1.1962 0.5238 -0.1524 0.1142 0.0335 29 GLY L O 193 N N . TYR A 32 ? 1.2652 1.1517 0.4964 -0.1304 0.1122 0.0278 30 TYR L N 194 C CA . TYR A 32 ? 1.2516 1.1042 0.4836 -0.1399 0.1097 0.0302 30 TYR L CA 195 C C . TYR A 32 ? 1.2586 1.0834 0.4822 -0.1436 0.1086 0.0313 30 TYR L C 196 O O . TYR A 32 ? 1.2591 1.0785 0.4701 -0.1336 0.1086 0.0288 30 TYR L O 197 C CB . TYR A 32 ? 1.2818 1.1183 0.5083 -0.1310 0.1068 0.0277 30 TYR L CB 198 C CG . TYR A 32 ? 1.3233 1.1881 0.5588 -0.1276 0.1079 0.0267 30 TYR L CG 199 C CD1 . TYR A 32 ? 1.3342 1.2090 0.5846 -0.1417 0.1083 0.0303 30 TYR L CD1 200 C CD2 . TYR A 32 ? 1.3573 1.2408 0.5851 -0.1100 0.1082 0.0221 30 TYR L CD2 201 C CE1 . TYR A 32 ? 1.3493 1.2522 0.6078 -0.1403 0.1093 0.0299 30 TYR L CE1 202 C CE2 . TYR A 32 ? 1.3703 1.2850 0.6070 -0.1073 0.1095 0.0214 30 TYR L CE2 203 C CZ . TYR A 32 ? 1.4753 1.3996 0.7278 -0.1235 0.1101 0.0256 30 TYR L CZ 204 O OH . TYR A 32 ? 1.5139 1.4689 0.7744 -0.1220 0.1112 0.0252 30 TYR L OH 205 N N . GLU A 33 ? 1.1765 0.9844 0.4061 -0.1572 0.1076 0.0348 31 GLU L N 206 C CA . GLU A 33 ? 1.1674 0.9517 0.3912 -0.1630 0.1066 0.0365 31 GLU L CA 207 C C . GLU A 33 ? 1.2204 0.9755 0.4333 -0.1598 0.1030 0.0357 31 GLU L C 208 O O . GLU A 33 ? 1.2103 0.9493 0.4235 -0.1689 0.1016 0.0383 31 GLU L O 209 C CB . GLU A 33 ? 1.1686 0.9548 0.4040 -0.1789 0.1069 0.0406 31 GLU L CB 210 C CG . GLU A 33 ? 1.2952 1.1055 0.5376 -0.1861 0.1093 0.0424 31 GLU L CG 211 C CD . GLU A 33 ? 1.5688 1.3820 0.8054 -0.1849 0.1111 0.0422 31 GLU L CD 212 O OE1 . GLU A 33 ? 1.3590 1.1554 0.5932 -0.1915 0.1104 0.0441 31 GLU L OE1 213 O OE2 . GLU A 33 ? 1.4797 1.3141 0.7140 -0.1768 0.1132 0.0402 31 GLU L OE2 214 N N . SER A 34 ? 1.1840 0.9327 0.3856 -0.1472 0.1011 0.0324 32 SER L N 215 C CA . SER A 34 ? 1.1931 0.9136 0.3821 -0.1463 0.0968 0.0323 32 SER L CA 216 C C . SER A 34 ? 1.2580 0.9522 0.4216 -0.1364 0.0930 0.0299 32 SER L C 217 O O . SER A 34 ? 1.2489 0.9200 0.3986 -0.1351 0.0885 0.0296 32 SER L O 218 C CB . SER A 34 ? 1.2512 0.9766 0.4470 -0.1453 0.0958 0.0318 32 SER L CB 219 O OG . SER A 34 ? 1.3536 1.0825 0.5644 -0.1582 0.0962 0.0351 32 SER L OG 220 N N . VAL A 35 ? 1.2423 0.9378 0.3980 -0.1307 0.0941 0.0286 33 VAL L N 221 C CA . VAL A 35 ? 1.2623 0.9301 0.3905 -0.1208 0.0898 0.0262 33 VAL L CA 222 C C . VAL A 35 ? 1.2843 0.9215 0.4006 -0.1329 0.0863 0.0298 33 VAL L C 223 O O . VAL A 35 ? 1.2612 0.9038 0.3893 -0.1453 0.0888 0.0332 33 VAL L O 224 C CB . VAL A 35 ? 1.3147 0.9962 0.4367 -0.1078 0.0919 0.0228 33 VAL L CB 225 C CG1 . VAL A 35 ? 1.2950 0.9957 0.4341 -0.1188 0.0968 0.0258 33 VAL L CG1 226 C CG2 . VAL A 35 ? 1.3404 0.9893 0.4301 -0.0955 0.0863 0.0199 33 VAL L CG2 227 N N . SER A 36 ? 1.2292 0.8349 0.3206 -0.1296 0.0799 0.0291 34 SER L N 228 C CA . SER A 36 ? 1.2285 0.8056 0.3046 -0.1422 0.0754 0.0328 34 SER L CA 229 C C . SER A 36 ? 1.3078 0.8490 0.3478 -0.1345 0.0689 0.0311 34 SER L C 230 O O . SER A 36 ? 1.3249 0.8554 0.3461 -0.1174 0.0656 0.0265 34 SER L O 231 C CB . SER A 36 ? 1.2602 0.8313 0.3392 -0.1527 0.0727 0.0356 34 SER L CB 232 O OG . SER A 36 ? 1.3920 0.9811 0.4850 -0.1461 0.0746 0.0334 34 SER L OG 233 N N . TRP A 37 ? 1.2600 0.7821 0.2887 -0.1468 0.0664 0.0348 35 TRP L N 234 C CA . TRP A 37 ? 1.2870 0.7723 0.2798 -0.1425 0.0595 0.0341 35 TRP L CA 235 C C . TRP A 37 ? 1.3596 0.8143 0.3308 -0.1582 0.0523 0.0387 35 TRP L C 236 O O . TRP A 37 ? 1.3247 0.7911 0.3116 -0.1760 0.0543 0.0437 35 TRP L O 237 C CB . TRP A 37 ? 1.2677 0.7585 0.2637 -0.1433 0.0629 0.0346 35 TRP L CB 238 C CG . TRP A 37 ? 1.2643 0.7844 0.2765 -0.1282 0.0691 0.0302 35 TRP L CG 239 C CD1 . TRP A 37 ? 1.2703 0.8292 0.3166 -0.1318 0.0770 0.0308 35 TRP L CD1 240 C CD2 . TRP A 37 ? 1.2780 0.7920 0.2708 -0.1072 0.0673 0.0246 35 TRP L CD2 241 N NE1 . TRP A 37 ? 1.2641 0.8437 0.3145 -0.1167 0.0805 0.0266 35 TRP L NE1 242 C CE2 . TRP A 37 ? 1.3097 0.8647 0.3288 -0.1003 0.0749 0.0224 35 TRP L CE2 243 C CE3 . TRP A 37 ? 1.3298 0.8070 0.2833 -0.0933 0.0592 0.0211 35 TRP L CE3 244 C CZ2 . TRP A 37 ? 1.3104 0.8761 0.3200 -0.0801 0.0755 0.0170 35 TRP L CZ2 245 C CZ3 . TRP A 37 ? 1.3627 0.8474 0.3056 -0.0708 0.0594 0.0151 35 TRP L CZ3 246 C CH2 . TRP A 37 ? 1.3432 0.8744 0.3152 -0.0643 0.0679 0.0131 35 TRP L CH2 247 N N . TYR A 38 ? 1.3795 0.7947 0.3120 -0.1512 0.0431 0.0370 36 TYR L N 248 C CA . TYR A 38 ? 1.4164 0.7950 0.3182 -0.1659 0.0338 0.0414 36 TYR L CA 249 C C . TYR A 38 ? 1.5483 0.8843 0.4087 -0.1654 0.0257 0.0418 36 TYR L C 250 O O . TYR A 38 ? 1.5642 0.8927 0.4130 -0.1468 0.0256 0.0367 36 TYR L O 251 C CB . TYR A 38 ? 1.4519 0.8135 0.3370 -0.1579 0.0280 0.0389 36 TYR L CB 252 C CG . TYR A 38 ? 1.4655 0.8610 0.3845 -0.1615 0.0338 0.0395 36 TYR L CG 253 C CD1 . TYR A 38 ? 1.4989 0.8926 0.4191 -0.1802 0.0310 0.0446 36 TYR L CD1 254 C CD2 . TYR A 38 ? 1.4524 0.8811 0.3992 -0.1460 0.0412 0.0348 36 TYR L CD2 255 C CE1 . TYR A 38 ? 1.5040 0.9266 0.4529 -0.1820 0.0356 0.0447 36 TYR L CE1 256 C CE2 . TYR A 38 ? 1.4359 0.8931 0.4115 -0.1495 0.0459 0.0353 36 TYR L CE2 257 C CZ . TYR A 38 ? 1.5789 1.0319 0.5554 -0.1666 0.0430 0.0401 36 TYR L CZ 258 O OH . TYR A 38 ? 1.6011 1.0806 0.6042 -0.1688 0.0471 0.0403 36 TYR L OH 259 N N . GLN A 39 ? 1.5469 0.8550 0.3829 -0.1860 0.0182 0.0479 37 GLN L N 260 C CA . GLN A 39 ? 1.5923 0.8531 0.3826 -0.1886 0.0084 0.0492 37 GLN L CA 261 C C . GLN A 39 ? 1.7224 0.9381 0.4697 -0.1999 -0.0045 0.0525 37 GLN L C 262 O O . GLN A 39 ? 1.7044 0.9292 0.4594 -0.2202 -0.0054 0.0581 37 GLN L O 263 C CB . GLN A 39 ? 1.5913 0.8585 0.3876 -0.2040 0.0110 0.0539 37 GLN L CB 264 C CG . GLN A 39 ? 1.5802 0.8558 0.3821 -0.2330 0.0098 0.0622 37 GLN L CG 265 C CD . GLN A 39 ? 1.6994 0.9767 0.5005 -0.2464 0.0109 0.0664 37 GLN L CD 266 O OE1 . GLN A 39 ? 1.6781 0.9290 0.4552 -0.2391 0.0076 0.0647 37 GLN L OE1 267 N NE2 . GLN A 39 ? 1.4725 0.7815 0.2987 -0.2658 0.0154 0.0720 37 GLN L NE2 268 N N . GLN A 40 ? 1.7592 0.9258 0.4593 -0.1860 -0.0149 0.0488 38 GLN L N 269 C CA . GLN A 40 ? 1.8096 0.9238 0.4597 -0.1957 -0.0292 0.0517 38 GLN L CA 270 C C . GLN A 40 ? 1.9014 0.9739 0.5106 -0.2098 -0.0385 0.0563 38 GLN L C 271 O O . GLN A 40 ? 1.9010 0.9540 0.4917 -0.1941 -0.0404 0.0522 38 GLN L O 272 C CB . GLN A 40 ? 1.8603 0.9402 0.4772 -0.1689 -0.0370 0.0441 38 GLN L CB 273 C CG . GLN A 40 ? 1.8909 0.9916 0.5278 -0.1619 -0.0341 0.0416 38 GLN L CG 274 C CD . GLN A 40 ? 2.1249 1.2124 0.7507 -0.1866 -0.0404 0.0483 38 GLN L CD 275 O OE1 . GLN A 40 ? 2.0631 1.1582 0.6946 -0.2148 -0.0405 0.0564 38 GLN L OE1 276 N NE2 . GLN A 40 ? 2.0300 1.1063 0.6455 -0.1762 -0.0446 0.0451 38 GLN L NE2 277 N N . HIS A 41 ? 1.8990 0.9596 0.4938 -0.2396 -0.0446 0.0649 39 HIS L N 278 C CA . HIS A 41 ? 1.9590 0.9733 0.5064 -0.2583 -0.0563 0.0707 39 HIS L CA 279 C C . HIS A 41 ? 2.1005 1.0581 0.5932 -0.2624 -0.0721 0.0718 39 HIS L C 280 O O . HIS A 41 ? 2.0952 1.0676 0.6015 -0.2653 -0.0710 0.0722 39 HIS L O 281 C CB . HIS A 41 ? 1.9395 0.9848 0.5087 -0.2906 -0.0522 0.0801 39 HIS L CB 282 C CG . HIS A 41 ? 1.9367 1.0215 0.5443 -0.2872 -0.0403 0.0793 39 HIS L CG 283 N ND1 . HIS A 41 ? 1.9314 1.0485 0.5612 -0.3120 -0.0356 0.0865 39 HIS L ND1 284 C CD2 . HIS A 41 ? 1.9413 1.0373 0.5658 -0.2622 -0.0330 0.0721 39 HIS L CD2 285 C CE1 . HIS A 41 ? 1.8948 1.0384 0.5536 -0.3011 -0.0259 0.0835 39 HIS L CE1 286 N NE2 . HIS A 41 ? 1.9034 1.0359 0.5605 -0.2722 -0.0239 0.0751 39 HIS L NE2 287 N N . PRO A 42 ? 2.1252 1.0169 0.5559 -0.2586 -0.0867 0.0712 40 PRO L N 288 C CA . PRO A 42 ? 2.1845 1.0173 0.5592 -0.2586 -0.1027 0.0711 40 PRO L CA 289 C C . PRO A 42 ? 2.2669 1.1075 0.6449 -0.2803 -0.1056 0.0768 40 PRO L C 290 O O . PRO A 42 ? 2.2721 1.1191 0.6598 -0.2628 -0.1040 0.0714 40 PRO L O 291 C CB . PRO A 42 ? 2.2734 1.0393 0.5828 -0.2682 -0.1184 0.0744 40 PRO L CB 292 C CG . PRO A 42 ? 2.3156 1.0987 0.6439 -0.2507 -0.1101 0.0698 40 PRO L CG 293 C CD . PRO A 42 ? 2.1750 1.0397 0.5809 -0.2520 -0.0901 0.0699 40 PRO L CD 294 N N . GLY A 43 ? 2.2175 1.0619 0.5896 -0.3174 -0.1093 0.0875 41 GLY L N 295 C CA . GLY A 43 ? 2.1960 1.0521 0.5717 -0.3400 -0.1120 0.0936 41 GLY L CA 296 C C . GLY A 43 ? 2.1255 1.0613 0.5723 -0.3469 -0.0951 0.0953 41 GLY L C 297 O O . GLY A 43 ? 2.0950 1.0536 0.5503 -0.3758 -0.0957 0.1035 41 GLY L O 298 N N . LYS A 44 ? 2.0212 1.0002 0.5179 -0.3208 -0.0805 0.0876 42 LYS L N 299 C CA . LYS A 44 ? 1.9433 0.9947 0.5061 -0.3239 -0.0647 0.0883 42 LYS L CA 300 C C . LYS A 44 ? 1.9412 1.0178 0.5367 -0.2985 -0.0566 0.0805 42 LYS L C 301 O O . LYS A 44 ? 1.9602 1.0047 0.5329 -0.2741 -0.0612 0.0734 42 LYS L O 302 C CB . LYS A 44 ? 1.9312 1.0184 0.5280 -0.3222 -0.0537 0.0881 42 LYS L CB 303 C CG . LYS A 44 ? 2.0954 1.2007 0.6944 -0.3546 -0.0542 0.0978 42 LYS L CG 304 C CD . LYS A 44 ? 2.2787 1.3300 0.8157 -0.3812 -0.0708 0.1058 42 LYS L CD 305 C CE . LYS A 44 ? 2.3626 1.3556 0.8518 -0.3721 -0.0802 0.1036 42 LYS L CE 306 N NZ . LYS A 44 ? 2.4180 1.4331 0.9269 -0.3738 -0.0729 0.1045 42 LYS L NZ 307 N N . ALA A 45 ? 1.8222 0.9559 0.4684 -0.3049 -0.0455 0.0820 43 ALA L N 308 C CA . ALA A 45 ? 1.7739 0.9413 0.4589 -0.2851 -0.0363 0.0758 43 ALA L CA 309 C C . ALA A 45 ? 1.7871 0.9956 0.5161 -0.2690 -0.0227 0.0713 43 ALA L C 310 O O . ALA A 45 ? 1.7819 1.0117 0.5263 -0.2826 -0.0184 0.0754 43 ALA L O 311 C CB . ALA A 45 ? 1.7505 0.9541 0.4617 -0.3035 -0.0330 0.0808 43 ALA L CB 312 N N . PRO A 46 ? 1.6997 0.9195 0.4469 -0.2411 -0.0166 0.0630 44 PRO L N 313 C CA . PRO A 46 ? 1.6485 0.9056 0.4339 -0.2281 -0.0047 0.0593 44 PRO L CA 314 C C . PRO A 46 ? 1.6403 0.9473 0.4701 -0.2434 0.0052 0.0636 44 PRO L C 315 O O . PRO A 46 ? 1.6282 0.9546 0.4725 -0.2567 0.0060 0.0672 44 PRO L O 316 C CB . PRO A 46 ? 1.6532 0.9242 0.4552 -0.2016 0.0002 0.0514 44 PRO L CB 317 C CG . PRO A 46 ? 1.7597 0.9839 0.5173 -0.1933 -0.0114 0.0491 44 PRO L CG 318 C CD . PRO A 46 ? 1.7310 0.9306 0.4627 -0.2205 -0.0206 0.0569 44 PRO L CD 319 N N . LYS A 47 ? 1.5564 0.8826 0.4053 -0.2410 0.0121 0.0631 45 LYS L N 320 C CA . LYS A 47 ? 1.4968 0.8679 0.3854 -0.2517 0.0212 0.0662 45 LYS L CA 321 C C . LYS A 47 ? 1.4911 0.8909 0.4122 -0.2339 0.0313 0.0609 45 LYS L C 322 O O . LYS A 47 ? 1.4874 0.8738 0.3980 -0.2220 0.0315 0.0576 45 LYS L O 323 C CB . LYS A 47 ? 1.5355 0.9003 0.4108 -0.2720 0.0181 0.0725 45 LYS L CB 324 C CG . LYS A 47 ? 1.6321 1.0418 0.5422 -0.2859 0.0251 0.0765 45 LYS L CG 325 C CD . LYS A 47 ? 1.7601 1.1811 0.6801 -0.2879 0.0297 0.0774 45 LYS L CD 326 C CE . LYS A 47 ? 1.9166 1.3177 0.8075 -0.3079 0.0227 0.0837 45 LYS L CE 327 N NZ . LYS A 47 ? 1.9727 1.3855 0.8746 -0.3081 0.0276 0.0840 45 LYS L NZ 328 N N . VAL A 48 ? 1.4092 0.8483 0.3684 -0.2329 0.0391 0.0602 46 VAL L N 329 C CA . VAL A 48 ? 1.3667 0.8367 0.3586 -0.2199 0.0484 0.0562 46 VAL L CA 330 C C . VAL A 48 ? 1.3835 0.8653 0.3855 -0.2273 0.0522 0.0586 46 VAL L C 331 O O . VAL A 48 ? 1.3818 0.8769 0.3918 -0.2430 0.0525 0.0632 46 VAL L O 332 C CB . VAL A 48 ? 1.3805 0.8841 0.4052 -0.2196 0.0538 0.0557 46 VAL L CB 333 C CG1 . VAL A 48 ? 1.3531 0.8879 0.4096 -0.2114 0.0626 0.0531 46 VAL L CG1 334 C CG2 . VAL A 48 ? 1.3841 0.8779 0.4008 -0.2103 0.0508 0.0528 46 VAL L CG2 335 N N . VAL A 49 ? 1.3034 0.7826 0.3048 -0.2155 0.0550 0.0552 47 VAL L N 336 C CA . VAL A 49 ? 1.2702 0.7593 0.2805 -0.2208 0.0588 0.0569 47 VAL L CA 337 C C . VAL A 49 ? 1.2905 0.8140 0.3351 -0.2134 0.0676 0.0544 47 VAL L C 338 O O . VAL A 49 ? 1.2662 0.8071 0.3272 -0.2210 0.0714 0.0566 47 VAL L O 339 C CB . VAL A 49 ? 1.3294 0.7876 0.3099 -0.2165 0.0545 0.0561 47 VAL L CB 340 C CG1 . VAL A 49 ? 1.3522 0.7797 0.3008 -0.2323 0.0459 0.0611 47 VAL L CG1 341 C CG2 . VAL A 49 ? 1.3465 0.7893 0.3119 -0.1958 0.0527 0.0502 47 VAL L CG2 342 N N . ILE A 50 ? 1.2337 0.7667 0.2873 -0.1992 0.0701 0.0500 48 ILE L N 343 C CA . ILE A 50 ? 1.1874 0.7516 0.2701 -0.1929 0.0773 0.0478 48 ILE L CA 344 C C . ILE A 50 ? 1.2379 0.8142 0.3314 -0.1864 0.0781 0.0456 48 ILE L C 345 O O . ILE A 50 ? 1.2583 0.8188 0.3346 -0.1773 0.0743 0.0431 48 ILE L O 346 C CB . ILE A 50 ? 1.2220 0.7872 0.3008 -0.1814 0.0799 0.0446 48 ILE L CB 347 C CG1 . ILE A 50 ? 1.2218 0.7840 0.2993 -0.1896 0.0811 0.0472 48 ILE L CG1 348 C CG2 . ILE A 50 ? 1.2039 0.7984 0.3046 -0.1722 0.0856 0.0416 48 ILE L CG2 349 C CD1 . ILE A 50 ? 1.2666 0.8510 0.3685 -0.2014 0.0853 0.0503 48 ILE L CD1 350 N N . TYR A 51 ? 1.1869 0.7886 0.3063 -0.1909 0.0822 0.0465 49 TYR L N 351 C CA . TYR A 51 ? 1.1850 0.8008 0.3170 -0.1854 0.0834 0.0446 49 TYR L CA 352 C C . TYR A 51 ? 1.2343 0.8777 0.3903 -0.1839 0.0891 0.0438 49 TYR L C 353 O O . TYR A 51 ? 1.1977 0.8480 0.3616 -0.1901 0.0915 0.0455 49 TYR L O 354 C CB . TYR A 51 ? 1.1920 0.8067 0.3267 -0.1942 0.0807 0.0471 49 TYR L CB 355 C CG . TYR A 51 ? 1.1904 0.8212 0.3422 -0.2053 0.0826 0.0502 49 TYR L CG 356 C CD1 . TYR A 51 ? 1.1688 0.8208 0.3420 -0.2050 0.0855 0.0498 49 TYR L CD1 357 C CD2 . TYR A 51 ? 1.2220 0.8462 0.3662 -0.2154 0.0808 0.0535 49 TYR L CD2 358 C CE1 . TYR A 51 ? 1.1365 0.8010 0.3218 -0.2125 0.0863 0.0519 49 TYR L CE1 359 C CE2 . TYR A 51 ? 1.2224 0.8633 0.3808 -0.2230 0.0823 0.0557 49 TYR L CE2 360 C CZ . TYR A 51 ? 1.2467 0.9067 0.4248 -0.2206 0.0848 0.0546 49 TYR L CZ 361 O OH . TYR A 51 ? 1.2269 0.9006 0.4151 -0.2259 0.0852 0.0563 49 TYR L OH 362 N N . ASP A 52 ? 1.2332 0.8915 0.3988 -0.1765 0.0908 0.0414 50 ASP L N 363 C CA . ASP A 52 ? 1.2417 0.9258 0.4269 -0.1767 0.0953 0.0411 50 ASP L CA 364 C C . ASP A 52 ? 1.3015 0.9919 0.4866 -0.1761 0.0981 0.0410 50 ASP L C 365 O O . ASP A 52 ? 1.2886 0.9912 0.4864 -0.1838 0.1005 0.0429 50 ASP L O 366 C CB . ASP A 52 ? 1.2638 0.9581 0.4657 -0.1867 0.0959 0.0437 50 ASP L CB 367 C CG . ASP A 52 ? 1.4812 1.1768 0.6877 -0.1866 0.0941 0.0435 50 ASP L CG 368 O OD1 . ASP A 52 ? 1.5364 1.2286 0.7359 -0.1785 0.0929 0.0412 50 ASP L OD1 369 O OD2 . ASP A 52 ? 1.5394 1.2398 0.7556 -0.1936 0.0936 0.0454 50 ASP L OD2 370 N N . VAL A 53 ? 1.2493 0.9298 0.4178 -0.1661 0.0972 0.0385 51 VAL L N 371 C CA . VAL A 53 ? 1.2305 0.9168 0.3955 -0.1623 0.0995 0.0376 51 VAL L CA 372 C C . VAL A 53 ? 1.2517 0.9223 0.4101 -0.1702 0.0988 0.0400 51 VAL L C 373 O O . VAL A 53 ? 1.2751 0.9335 0.4176 -0.1638 0.0977 0.0385 51 VAL L O 374 C CB . VAL A 53 ? 1.2600 0.9780 0.4424 -0.1634 0.1040 0.0376 51 VAL L CB 375 C CG1 . VAL A 53 ? 1.2628 0.9889 0.4386 -0.1566 0.1060 0.0359 51 VAL L CG1 376 C CG2 . VAL A 53 ? 1.2508 0.9887 0.4420 -0.1582 0.1049 0.0359 51 VAL L CG2 377 N N . SER A 54 ? 1.1608 0.8337 0.3308 -0.1827 0.0995 0.0434 52 SER L N 378 C CA . SER A 54 ? 1.1587 0.8222 0.3246 -0.1898 0.0995 0.0456 52 SER L CA 379 C C . SER A 54 ? 1.2198 0.8740 0.3863 -0.2004 0.0973 0.0487 52 SER L C 380 O O . SER A 54 ? 1.2345 0.8858 0.4008 -0.2071 0.0977 0.0507 52 SER L O 381 C CB . SER A 54 ? 1.1580 0.8400 0.3371 -0.1934 0.1034 0.0462 52 SER L CB 382 O OG . SER A 54 ? 1.0870 0.7818 0.2818 -0.2005 0.1041 0.0478 52 SER L OG 383 N N . LYS A 55 ? 1.1467 0.7990 0.3144 -0.2018 0.0950 0.0491 53 LYS L N 384 C CA . LYS A 55 ? 1.1320 0.7827 0.3022 -0.2114 0.0930 0.0519 53 LYS L CA 385 C C . LYS A 55 ? 1.2117 0.8433 0.3633 -0.2157 0.0888 0.0537 53 LYS L C 386 O O . LYS A 55 ? 1.2244 0.8438 0.3638 -0.2116 0.0859 0.0526 53 LYS L O 387 C CB . LYS A 55 ? 1.1405 0.8040 0.3242 -0.2118 0.0929 0.0518 53 LYS L CB 388 C CG . LYS A 55 ? 1.2035 0.8838 0.4038 -0.2120 0.0957 0.0514 53 LYS L CG 389 C CD . LYS A 55 ? 1.2918 0.9823 0.5013 -0.2080 0.0960 0.0499 53 LYS L CD 390 C CE . LYS A 55 ? 1.2111 0.9046 0.4262 -0.2108 0.0937 0.0507 53 LYS L CE 391 N NZ . LYS A 55 ? 1.1133 0.8163 0.3373 -0.2072 0.0941 0.0493 53 LYS L NZ 392 N N . ARG A 56 ? 1.2026 0.8312 0.3501 -0.2246 0.0877 0.0566 54 ARG L N 393 C CA . ARG A 56 ? 1.2514 0.8622 0.3788 -0.2317 0.0829 0.0591 54 ARG L CA 394 C C . ARG A 56 ? 1.3282 0.9490 0.4597 -0.2407 0.0805 0.0618 54 ARG L C 395 O O . ARG A 56 ? 1.3180 0.9577 0.4641 -0.2442 0.0824 0.0628 54 ARG L O 396 C CB . ARG A 56 ? 1.2961 0.8923 0.4079 -0.2365 0.0816 0.0609 54 ARG L CB 397 C CG . ARG A 56 ? 1.4467 1.0545 0.5645 -0.2470 0.0822 0.0642 54 ARG L CG 398 C CD . ARG A 56 ? 1.4932 1.0880 0.5979 -0.2503 0.0819 0.0655 54 ARG L CD 399 N NE . ARG A 56 ? 1.5725 1.1666 0.6825 -0.2402 0.0857 0.0622 54 ARG L NE 400 C CZ . ARG A 56 ? 1.6733 1.2835 0.8002 -0.2386 0.0900 0.0615 54 ARG L CZ 401 N NH1 . ARG A 56 ? 1.4203 1.0459 0.5591 -0.2447 0.0907 0.0633 54 ARG L NH1 402 N NH2 . ARG A 56 ? 1.4539 1.0651 0.5841 -0.2308 0.0931 0.0590 54 ARG L NH2 403 N N . PRO A 57 ? 1.3024 0.9112 0.4197 -0.2443 0.0760 0.0630 55 PRO L N 404 C CA . PRO A 57 ? 1.2956 0.9172 0.4159 -0.2542 0.0736 0.0661 55 PRO L CA 405 C C . PRO A 57 ? 1.4064 1.0305 0.5177 -0.2669 0.0715 0.0703 55 PRO L C 406 O O . PRO A 57 ? 1.4186 1.0298 0.5192 -0.2685 0.0714 0.0710 55 PRO L O 407 C CB . PRO A 57 ? 1.3227 0.9263 0.4258 -0.2554 0.0687 0.0664 55 PRO L CB 408 C CG . PRO A 57 ? 1.3880 0.9721 0.4822 -0.2429 0.0691 0.0625 55 PRO L CG 409 C CD . PRO A 57 ? 1.3378 0.9203 0.4330 -0.2396 0.0721 0.0617 55 PRO L CD 410 N N . SER A 58 ? 1.3888 1.0325 0.5049 -0.2757 0.0699 0.0732 56 SER L N 411 C CA . SER A 58 ? 1.4024 1.0564 0.5114 -0.2887 0.0678 0.0775 56 SER L CA 412 C C . SER A 58 ? 1.5146 1.1419 0.5939 -0.3007 0.0622 0.0814 56 SER L C 413 O O . SER A 58 ? 1.5333 1.1379 0.5959 -0.3015 0.0581 0.0814 56 SER L O 414 C CB . SER A 58 ? 1.4282 1.1110 0.5460 -0.2947 0.0665 0.0796 56 SER L CB 415 O OG . SER A 58 ? 1.5338 1.2081 0.6410 -0.2997 0.0625 0.0810 56 SER L OG 416 N N . GLY A 59 ? 1.4915 1.1201 0.5627 -0.3098 0.0613 0.0845 57 GLY L N 417 C CA . GLY A 59 ? 1.5238 1.1270 0.5642 -0.3238 0.0551 0.0889 57 GLY L CA 418 C C . GLY A 59 ? 1.5974 1.1623 0.6189 -0.3164 0.0536 0.0866 57 GLY L C 419 O O . GLY A 59 ? 1.6430 1.1802 0.6346 -0.3267 0.0474 0.0899 57 GLY L O 420 N N . VAL A 60 ? 1.5053 1.0687 0.5423 -0.2985 0.0588 0.0809 58 VAL L N 421 C CA . VAL A 60 ? 1.4947 1.0296 0.5181 -0.2874 0.0585 0.0775 58 VAL L CA 422 C C . VAL A 60 ? 1.4957 1.0395 0.5296 -0.2852 0.0631 0.0770 58 VAL L C 423 O O . VAL A 60 ? 1.4634 1.0351 0.5236 -0.2816 0.0688 0.0757 58 VAL L O 424 C CB . VAL A 60 ? 1.5300 1.0645 0.5646 -0.2705 0.0613 0.0721 58 VAL L CB 425 C CG1 . VAL A 60 ? 1.5414 1.0590 0.5691 -0.2562 0.0629 0.0678 58 VAL L CG1 426 C CG2 . VAL A 60 ? 1.5395 1.0582 0.5578 -0.2725 0.0556 0.0726 58 VAL L CG2 427 N N . SER A 61 ? 1.4490 0.9670 0.4596 -0.2877 0.0600 0.0780 59 SER L N 428 C CA . SER A 61 ? 1.4252 0.9464 0.4407 -0.2865 0.0635 0.0778 59 SER L CA 429 C C . SER A 61 ? 1.4453 0.9806 0.4843 -0.2705 0.0706 0.0727 59 SER L C 430 O O . SER A 61 ? 1.4308 0.9605 0.4713 -0.2579 0.0715 0.0687 59 SER L O 431 C CB . SER A 61 ? 1.4730 0.9584 0.4554 -0.2895 0.0579 0.0791 59 SER L CB 432 O OG . SER A 61 ? 1.5264 1.0165 0.5131 -0.2910 0.0610 0.0797 59 SER L OG 433 N N . ASN A 62 ? 1.3936 0.9473 0.4492 -0.2718 0.0752 0.0731 60 ASN L N 434 C CA . ASN A 62 ? 1.3735 0.9405 0.4492 -0.2603 0.0813 0.0693 60 ASN L CA 435 C C . ASN A 62 ? 1.4018 0.9496 0.4645 -0.2512 0.0817 0.0666 60 ASN L C 436 O O . ASN A 62 ? 1.3918 0.9507 0.4684 -0.2425 0.0864 0.0637 60 ASN L O 437 C CB . ASN A 62 ? 1.3990 0.9893 0.4937 -0.2647 0.0849 0.0705 60 ASN L CB 438 C CG . ASN A 62 ? 1.8208 1.4090 0.9051 -0.2762 0.0830 0.0744 60 ASN L CG 439 O OD1 . ASN A 62 ? 1.6933 1.2854 0.7826 -0.2756 0.0857 0.0742 60 ASN L OD1 440 N ND2 . ASN A 62 ? 1.7643 1.3500 0.8351 -0.2880 0.0783 0.0783 60 ASN L ND2 441 N N . ARG A 63 ? 1.3496 0.8680 0.3832 -0.2530 0.0760 0.0676 61 ARG L N 442 C CA . ARG A 63 ? 1.3562 0.8528 0.3717 -0.2423 0.0748 0.0647 61 ARG L CA 443 C C . ARG A 63 ? 1.4005 0.8943 0.4147 -0.2267 0.0748 0.0599 61 ARG L C 444 O O . ARG A 63 ? 1.4228 0.9046 0.4243 -0.2137 0.0743 0.0563 61 ARG L O 445 C CB . ARG A 63 ? 1.3542 0.8163 0.3345 -0.2499 0.0673 0.0675 61 ARG L CB 446 C CG . ARG A 63 ? 1.3378 0.8028 0.3166 -0.2657 0.0669 0.0724 61 ARG L CG 447 C CD . ARG A 63 ? 1.3379 0.7668 0.2788 -0.2753 0.0585 0.0758 61 ARG L CD 448 N NE . ARG A 63 ? 1.4105 0.8197 0.3291 -0.2825 0.0509 0.0780 61 ARG L NE 449 C CZ . ARG A 63 ? 1.5519 0.9279 0.4425 -0.2731 0.0448 0.0754 61 ARG L CZ 450 N NH1 . ARG A 63 ? 1.3292 0.6917 0.2122 -0.2545 0.0457 0.0700 61 ARG L NH1 451 N NH2 . ARG A 63 ? 1.3359 0.6928 0.2049 -0.2816 0.0374 0.0780 61 ARG L NH2 452 N N . PHE A 64 ? 1.3119 0.8186 0.3388 -0.2271 0.0752 0.0597 62 PHE L N 453 C CA . PHE A 64 ? 1.2867 0.7965 0.3163 -0.2131 0.0758 0.0554 62 PHE L CA 454 C C . PHE A 64 ? 1.2552 0.7994 0.3175 -0.2088 0.0831 0.0535 62 PHE L C 455 O O . PHE A 64 ? 1.2134 0.7762 0.2954 -0.2181 0.0857 0.0560 62 PHE L O 456 C CB . PHE A 64 ? 1.3090 0.8067 0.3274 -0.2168 0.0706 0.0565 62 PHE L CB 457 C CG . PHE A 64 ? 1.3583 0.8168 0.3384 -0.2198 0.0619 0.0578 62 PHE L CG 458 C CD1 . PHE A 64 ? 1.4218 0.8563 0.3783 -0.2056 0.0571 0.0538 62 PHE L CD1 459 C CD2 . PHE A 64 ? 1.3877 0.8329 0.3530 -0.2372 0.0576 0.0632 62 PHE L CD2 460 C CE1 . PHE A 64 ? 1.4662 0.8586 0.3821 -0.2087 0.0474 0.0552 62 PHE L CE1 461 C CE2 . PHE A 64 ? 1.4539 0.8595 0.3799 -0.2424 0.0483 0.0652 62 PHE L CE2 462 C CZ . PHE A 64 ? 1.4564 0.8332 0.3565 -0.2280 0.0429 0.0611 62 PHE L CZ 463 N N . SER A 65 ? 1.1799 0.7322 0.2455 -0.1947 0.0856 0.0493 63 SER L N 464 C CA . SER A 65 ? 1.1431 0.7263 0.2355 -0.1915 0.0916 0.0479 63 SER L CA 465 C C . SER A 65 ? 1.1612 0.7507 0.2520 -0.1773 0.0917 0.0437 63 SER L C 466 O O . SER A 65 ? 1.1681 0.7386 0.2362 -0.1663 0.0879 0.0409 63 SER L O 467 C CB . SER A 65 ? 1.1971 0.7925 0.2981 -0.1920 0.0958 0.0479 63 SER L CB 468 O OG . SER A 65 ? 1.3589 0.9488 0.4460 -0.1796 0.0957 0.0447 63 SER L OG 469 N N . GLY A 66 ? 1.0927 0.7082 0.2058 -0.1774 0.0955 0.0432 64 GLY L N 470 C CA . GLY A 66 ? 1.0962 0.7254 0.2122 -0.1650 0.0964 0.0396 64 GLY L CA 471 C C . GLY A 66 ? 1.1512 0.8121 0.2861 -0.1633 0.1018 0.0388 64 GLY L C 472 O O . GLY A 66 ? 1.1418 0.8139 0.2913 -0.1742 0.1046 0.0415 64 GLY L O 473 N N . SER A 67 ? 1.1251 0.8009 0.2577 -0.1497 0.1028 0.0350 65 SER L N 474 C CA . SER A 67 ? 1.1144 0.8248 0.2624 -0.1481 0.1074 0.0343 65 SER L CA 475 C C . SER A 67 ? 1.1890 0.9190 0.3359 -0.1337 0.1078 0.0303 65 SER L C 476 O O . SER A 67 ? 1.1969 0.9100 0.3267 -0.1210 0.1040 0.0271 65 SER L O 477 C CB . SER A 67 ? 1.1454 0.8601 0.2886 -0.1464 0.1093 0.0340 65 SER L CB 478 O OG . SER A 67 ? 1.2801 1.0191 0.4206 -0.1325 0.1111 0.0303 65 SER L OG 479 N N . LYS A 68 ? 1.1497 0.9154 0.3133 -0.1362 0.1117 0.0308 66 LYS L N 480 C CA . LYS A 68 ? 1.1633 0.9568 0.3284 -0.1237 0.1127 0.0274 66 LYS L CA 481 C C . LYS A 68 ? 1.2416 1.0762 0.4198 -0.1277 0.1171 0.0284 66 LYS L C 482 O O . LYS A 68 ? 1.2391 1.0825 0.4310 -0.1450 0.1190 0.0328 66 LYS L O 483 C CB . LYS A 68 ? 1.1896 0.9834 0.3613 -0.1243 0.1114 0.0273 66 LYS L CB 484 C CG . LYS A 68 ? 1.2822 1.0941 0.4755 -0.1415 0.1136 0.0316 66 LYS L CG 485 C CD . LYS A 68 ? 1.2489 1.0674 0.4481 -0.1392 0.1126 0.0308 66 LYS L CD 486 C CE . LYS A 68 ? 1.3941 1.2538 0.6038 -0.1381 0.1154 0.0304 66 LYS L CE 487 N NZ . LYS A 68 ? 1.5995 1.4658 0.8177 -0.1400 0.1147 0.0307 66 LYS L NZ 488 N N . SER A 69 ? 1.2038 1.0628 0.3751 -0.1112 0.1180 0.0242 67 SER L N 489 C CA . SER A 69 ? 1.1877 1.0923 0.3688 -0.1125 0.1218 0.0246 67 SER L CA 490 C C . SER A 69 ? 1.2501 1.1808 0.4266 -0.0936 0.1215 0.0198 67 SER L C 491 O O . SER A 69 ? 1.2702 1.1821 0.4275 -0.0732 0.1184 0.0145 67 SER L O 492 C CB . SER A 69 ? 1.2372 1.1440 0.4096 -0.1080 0.1229 0.0237 67 SER L CB 493 O OG . SER A 69 ? 1.3753 1.3307 0.5551 -0.1072 0.1264 0.0236 67 SER L OG 494 N N . GLY A 70 ? 1.1889 1.1596 0.3808 -0.1011 0.1240 0.0217 68 GLY L N 495 C CA . GLY A 70 ? 1.1853 1.1884 0.3760 -0.0852 0.1243 0.0176 68 GLY L CA 496 C C . GLY A 70 ? 1.2458 1.2176 0.4262 -0.0724 0.1204 0.0141 68 GLY L C 497 O O . GLY A 70 ? 1.2417 1.1882 0.4290 -0.0854 0.1191 0.0172 68 GLY L O 498 N N . ASN A 71 ? 1.2152 1.1860 0.3764 -0.0462 0.1180 0.0074 69 ASN L N 499 C CA . ASN A 71 ? 1.2268 1.1656 0.3723 -0.0312 0.1132 0.0033 69 ASN L CA 500 C C . ASN A 71 ? 1.3102 1.1944 0.4315 -0.0241 0.1082 0.0014 69 ASN L C 501 O O . ASN A 71 ? 1.3401 1.1913 0.4424 -0.0119 0.1030 -0.0019 69 ASN L O 502 C CB . ASN A 71 ? 1.2384 1.2086 0.3739 -0.0054 0.1123 -0.0034 69 ASN L CB 503 C CG . ASN A 71 ? 1.4058 1.4306 0.5621 -0.0107 0.1164 -0.0019 69 ASN L CG 504 O OD1 . ASN A 71 ? 1.3444 1.3715 0.5189 -0.0303 0.1178 0.0030 69 ASN L OD1 505 N ND2 . ASN A 71 ? 1.1694 1.2398 0.3210 0.0082 0.1176 -0.0065 69 ASN L ND2 506 N N . THR A 72 ? 1.2511 1.1249 0.3716 -0.0329 0.1094 0.0039 70 THR L N 507 C CA . THR A 72 ? 1.2541 1.0790 0.3516 -0.0290 0.1049 0.0029 70 THR L CA 508 C C . THR A 72 ? 1.2447 1.0371 0.3504 -0.0528 0.1047 0.0091 70 THR L C 509 O O . THR A 72 ? 1.2182 1.0238 0.3416 -0.0702 0.1087 0.0137 70 THR L O 510 C CB . THR A 72 ? 1.3745 1.2109 0.4605 -0.0170 0.1057 0.0001 70 THR L CB 511 O OG1 . THR A 72 ? 1.4022 1.2659 0.4762 0.0088 0.1047 -0.0065 70 THR L OG1 512 C CG2 . THR A 72 ? 1.3962 1.1821 0.4569 -0.0139 0.1007 -0.0005 70 THR L CG2 513 N N . ALA A 73 ? 1.1648 0.9143 0.2548 -0.0527 0.0993 0.0090 71 ALA L N 514 C CA . ALA A 73 ? 1.1363 0.8547 0.2294 -0.0725 0.0981 0.0143 71 ALA L CA 515 C C . ALA A 73 ? 1.1975 0.8817 0.2667 -0.0695 0.0943 0.0138 71 ALA L C 516 O O . ALA A 73 ? 1.2221 0.8933 0.2657 -0.0499 0.0903 0.0088 71 ALA L O 517 C CB . ALA A 73 ? 1.1422 0.8371 0.2308 -0.0756 0.0941 0.0149 71 ALA L CB 518 N N . SER A 74 ? 1.1293 0.7990 0.2050 -0.0877 0.0952 0.0188 72 SER L N 519 C CA . SER A 74 ? 1.1387 0.7770 0.1924 -0.0871 0.0917 0.0190 72 SER L CA 520 C C . SER A 74 ? 1.1698 0.7784 0.2212 -0.1060 0.0893 0.0242 72 SER L C 521 O O . SER A 74 ? 1.1585 0.7813 0.2332 -0.1225 0.0932 0.0284 72 SER L O 522 C CB . SER A 74 ? 1.1761 0.8369 0.2365 -0.0850 0.0962 0.0185 72 SER L CB 523 O OG . SER A 74 ? 1.3121 1.0112 0.3803 -0.0711 0.0995 0.0147 72 SER L OG 524 N N . LEU A 75 ? 1.1248 0.6924 0.1458 -0.1033 0.0821 0.0238 73 LEU L N 525 C CA . LEU A 75 ? 1.1126 0.6524 0.1262 -0.1210 0.0788 0.0288 73 LEU L CA 526 C C . LEU A 75 ? 1.2075 0.7319 0.2072 -0.1226 0.0779 0.0297 73 LEU L C 527 O O . LEU A 75 ? 1.2091 0.7146 0.1821 -0.1075 0.0739 0.0259 73 LEU L O 528 C CB . LEU A 75 ? 1.1324 0.6359 0.1186 -0.1202 0.0706 0.0288 73 LEU L CB 529 C CG . LEU A 75 ? 1.2079 0.6823 0.1806 -0.1390 0.0659 0.0343 73 LEU L CG 530 C CD1 . LEU A 75 ? 1.1783 0.6711 0.1774 -0.1571 0.0692 0.0391 73 LEU L CD1 531 C CD2 . LEU A 75 ? 1.2939 0.7232 0.2257 -0.1353 0.0556 0.0337 73 LEU L CD2 532 N N . THR A 76 ? 1.1656 0.6983 0.1826 -0.1400 0.0815 0.0344 74 THR L N 533 C CA . THR A 76 ? 1.1697 0.6904 0.1765 -0.1433 0.0813 0.0357 74 THR L CA 534 C C . THR A 76 ? 1.2362 0.7306 0.2311 -0.1606 0.0771 0.0408 74 THR L C 535 O O . THR A 76 ? 1.2226 0.7314 0.2382 -0.1760 0.0802 0.0449 74 THR L O 536 C CB . THR A 76 ? 1.1287 0.6836 0.1608 -0.1438 0.0889 0.0355 74 THR L CB 537 O OG1 . THR A 76 ? 1.0845 0.6635 0.1216 -0.1273 0.0916 0.0308 74 THR L OG1 538 C CG2 . THR A 76 ? 1.0365 0.5790 0.0821 -0.1458 0.0862 0.0341 74 THR L CG2 539 N N . ILE A 77 ? 1.2209 0.6771 0.1805 -0.1577 0.0695 0.0405 75 ILE L N 540 C CA . ILE A 77 ? 1.2412 0.6710 0.1838 -0.1751 0.0643 0.0458 75 ILE L CA 541 C C . ILE A 77 ? 1.3009 0.7270 0.2394 -0.1771 0.0659 0.0467 75 ILE L C 542 O O . ILE A 77 ? 1.3431 0.7507 0.2585 -0.1632 0.0628 0.0431 75 ILE L O 543 C CB . ILE A 77 ? 1.3299 0.7147 0.2306 -0.1735 0.0536 0.0458 75 ILE L CB 544 C CG1 . ILE A 77 ? 1.3305 0.7161 0.2311 -0.1666 0.0515 0.0436 75 ILE L CG1 545 C CG2 . ILE A 77 ? 1.3638 0.7249 0.2469 -0.1957 0.0480 0.0525 75 ILE L CG2 546 C CD1 . ILE A 77 ? 1.3587 0.6987 0.2156 -0.1613 0.0405 0.0424 75 ILE L CD1 547 N N . SER A 78 ? 1.2274 0.6707 0.1866 -0.1929 0.0702 0.0510 76 SER L N 548 C CA . SER A 78 ? 1.2206 0.6601 0.1762 -0.1967 0.0716 0.0524 76 SER L CA 549 C C . SER A 78 ? 1.3247 0.7360 0.2569 -0.2135 0.0651 0.0577 76 SER L C 550 O O . SER A 78 ? 1.3503 0.7521 0.2744 -0.2236 0.0607 0.0607 76 SER L O 551 C CB . SER A 78 ? 1.1845 0.6606 0.1758 -0.2024 0.0801 0.0535 76 SER L CB 552 O OG . SER A 78 ? 1.2256 0.7091 0.2283 -0.2201 0.0806 0.0586 76 SER L OG 553 N N . GLY A 79 ? 1.2903 0.6893 0.2107 -0.2169 0.0644 0.0590 77 GLY L N 554 C CA . GLY A 79 ? 1.3125 0.6871 0.2101 -0.2341 0.0584 0.0645 77 GLY L CA 555 C C . GLY A 79 ? 1.4359 0.7717 0.2958 -0.2379 0.0480 0.0660 77 GLY L C 556 O O . GLY A 79 ? 1.4434 0.7740 0.2959 -0.2569 0.0439 0.0716 77 GLY L O 557 N N . LEU A 80 ? 1.4495 0.7592 0.2841 -0.2196 0.0433 0.0609 78 LEU L N 558 C CA . LEU A 80 ? 1.5031 0.7697 0.2962 -0.2194 0.0321 0.0612 78 LEU L CA 559 C C . LEU A 80 ? 1.6080 0.8434 0.3704 -0.2424 0.0234 0.0683 78 LEU L C 560 O O . LEU A 80 ? 1.6298 0.8559 0.3827 -0.2498 0.0227 0.0708 78 LEU L O 561 C CB . LEU A 80 ? 1.5372 0.7754 0.3008 -0.1945 0.0273 0.0544 78 LEU L CB 562 C CG . LEU A 80 ? 1.5933 0.8383 0.3606 -0.1758 0.0275 0.0487 78 LEU L CG 563 C CD1 . LEU A 80 ? 1.6176 0.8610 0.3753 -0.1477 0.0282 0.0409 78 LEU L CD1 564 C CD2 . LEU A 80 ? 1.6549 0.8592 0.3850 -0.1802 0.0163 0.0501 78 LEU L CD2 565 N N . GLN A 81 ? 1.5694 0.7928 0.3185 -0.2553 0.0173 0.0720 79 GLN L N 566 C CA . GLN A 81 ? 1.5997 0.7975 0.3191 -0.2808 0.0082 0.0797 79 GLN L CA 567 C C . GLN A 81 ? 1.7257 0.8743 0.3984 -0.2789 -0.0045 0.0793 79 GLN L C 568 O O . GLN A 81 ? 1.7363 0.8790 0.4074 -0.2574 -0.0046 0.0729 79 GLN L O 569 C CB . GLN A 81 ? 1.5799 0.8186 0.3317 -0.3007 0.0133 0.0852 79 GLN L CB 570 C CG . GLN A 81 ? 1.6507 0.9336 0.4422 -0.3062 0.0236 0.0867 79 GLN L CG 571 C CD . GLN A 81 ? 1.9304 1.2442 0.7398 -0.3276 0.0249 0.0929 79 GLN L CD 572 O OE1 . GLN A 81 ? 1.9055 1.2417 0.7348 -0.3265 0.0276 0.0921 79 GLN L OE1 573 N NE2 . GLN A 81 ? 1.8213 1.1380 0.6223 -0.3475 0.0227 0.0991 79 GLN L NE2 574 N N . ALA A 82 ? 1.7349 0.8493 0.3690 -0.3019 -0.0156 0.0864 80 ALA L N 575 C CA . ALA A 82 ? 1.8010 0.8619 0.3841 -0.3025 -0.0295 0.0867 80 ALA L CA 576 C C . ALA A 82 ? 1.8703 0.9436 0.4656 -0.2992 -0.0290 0.0852 80 ALA L C 577 O O . ALA A 82 ? 1.9045 0.9474 0.4756 -0.2799 -0.0348 0.0796 80 ALA L O 578 C CB . ALA A 82 ? 1.8541 0.8783 0.3933 -0.3322 -0.0417 0.0958 80 ALA L CB 579 N N . GLU A 83 ? 1.7824 0.9014 0.4150 -0.3160 -0.0221 0.0898 81 GLU L N 580 C CA . GLU A 83 ? 1.7635 0.8984 0.4107 -0.3153 -0.0211 0.0891 81 GLU L CA 581 C C . GLU A 83 ? 1.7828 0.9313 0.4525 -0.2849 -0.0144 0.0798 81 GLU L C 582 O O . GLU A 83 ? 1.7852 0.9310 0.4535 -0.2798 -0.0166 0.0781 81 GLU L O 583 C CB . GLU A 83 ? 1.7420 0.9287 0.4281 -0.3361 -0.0140 0.0949 81 GLU L CB 584 C CG . GLU A 83 ? 1.8615 1.1030 0.6018 -0.3281 0.0005 0.0923 81 GLU L CG 585 C CD . GLU A 83 ? 2.2376 1.5018 0.9893 -0.3466 0.0035 0.0981 81 GLU L CD 586 O OE1 . GLU A 83 ? 2.2294 1.5425 1.0234 -0.3482 0.0132 0.0983 81 GLU L OE1 587 O OE2 . GLU A 83 ? 2.1849 1.4173 0.9018 -0.3588 -0.0041 0.1021 81 GLU L OE2 588 N N . ASP A 84 ? 1.7001 0.8649 0.3903 -0.2655 -0.0065 0.0743 82 ASP L N 589 C CA . ASP A 84 ? 1.6588 0.8434 0.3724 -0.2378 0.0006 0.0659 82 ASP L CA 590 C C . ASP A 84 ? 1.7217 0.8635 0.3956 -0.2159 -0.0083 0.0598 82 ASP L C 591 O O . ASP A 84 ? 1.6937 0.8536 0.3849 -0.1953 -0.0037 0.0536 82 ASP L O 592 C CB . ASP A 84 ? 1.6379 0.8572 0.3857 -0.2273 0.0117 0.0629 82 ASP L CB 593 C CG . ASP A 84 ? 1.7126 0.9781 0.5033 -0.2445 0.0211 0.0675 82 ASP L CG 594 O OD1 . ASP A 84 ? 1.7169 0.9958 0.5204 -0.2468 0.0260 0.0684 82 ASP L OD1 595 O OD2 . ASP A 84 ? 1.7747 1.0619 0.5844 -0.2549 0.0230 0.0702 82 ASP L OD2 596 N N . GLU A 85 ? 1.7120 0.7964 0.3305 -0.2206 -0.0217 0.0617 83 GLU L N 597 C CA . GLU A 85 ? 1.7488 0.7836 0.3201 -0.1993 -0.0328 0.0558 83 GLU L CA 598 C C . GLU A 85 ? 1.7852 0.8159 0.3530 -0.1988 -0.0363 0.0553 83 GLU L C 599 O O . GLU A 85 ? 1.8017 0.8193 0.3564 -0.2236 -0.0424 0.0623 83 GLU L O 600 C CB . GLU A 85 ? 1.8272 0.7981 0.3372 -0.2097 -0.0477 0.0594 83 GLU L CB 601 C CG . GLU A 85 ? 1.9867 0.9019 0.4428 -0.1832 -0.0598 0.0523 83 GLU L CG 602 C CD . GLU A 85 ? 2.2984 1.1522 0.6960 -0.1920 -0.0736 0.0554 83 GLU L CD 603 O OE1 . GLU A 85 ? 2.4208 1.2434 0.7885 -0.2211 -0.0834 0.0639 83 GLU L OE1 604 O OE2 . GLU A 85 ? 2.0913 0.9303 0.4733 -0.1715 -0.0745 0.0500 83 GLU L OE2 605 N N . GLY A 86 ? 1.7000 0.7465 0.2816 -0.1716 -0.0321 0.0473 84 GLY L N 606 C CA . GLY A 86 ? 1.6880 0.7330 0.2684 -0.1678 -0.0348 0.0458 84 GLY L CA 607 C C . GLY A 86 ? 1.7156 0.7770 0.3071 -0.1347 -0.0307 0.0362 84 GLY L C 608 O O . GLY A 86 ? 1.6925 0.7601 0.2841 -0.1124 -0.0277 0.0301 84 GLY L O 609 N N . ASP A 87 ? 1.6911 0.7610 0.2909 -0.1321 -0.0308 0.0350 85 ASP L N 610 C CA . ASP A 87 ? 1.6958 0.7862 0.3088 -0.1038 -0.0269 0.0268 85 ASP L CA 611 C C . ASP A 87 ? 1.6814 0.8385 0.3586 -0.1103 -0.0118 0.0280 85 ASP L C 612 O O . ASP A 87 ? 1.6619 0.8336 0.3594 -0.1338 -0.0094 0.0344 85 ASP L O 613 C CB . ASP A 87 ? 1.7751 0.8242 0.3490 -0.0977 -0.0387 0.0250 85 ASP L CB 614 C CG . ASP A 87 ? 2.0714 1.0780 0.5963 -0.0659 -0.0490 0.0164 85 ASP L CG 615 O OD1 . ASP A 87 ? 2.1040 1.1299 0.6380 -0.0400 -0.0462 0.0090 85 ASP L OD1 616 O OD2 . ASP A 87 ? 2.1793 1.1331 0.6549 -0.0665 -0.0604 0.0171 85 ASP L OD2 617 N N . TYR A 88 ? 1.5845 0.7824 0.2922 -0.0904 -0.0020 0.0224 86 TYR L N 618 C CA . TYR A 88 ? 1.5037 0.7617 0.2687 -0.0960 0.0115 0.0234 86 TYR L CA 619 C C . TYR A 88 ? 1.5466 0.8313 0.3274 -0.0751 0.0153 0.0172 86 TYR L C 620 O O . TYR A 88 ? 1.5732 0.8490 0.3329 -0.0491 0.0120 0.0102 86 TYR L O 621 C CB . TYR A 88 ? 1.4685 0.7570 0.2601 -0.0980 0.0205 0.0241 86 TYR L CB 622 C CG . TYR A 88 ? 1.4478 0.7224 0.2357 -0.1232 0.0191 0.0314 86 TYR L CG 623 C CD1 . TYR A 88 ? 1.4333 0.7386 0.2569 -0.1457 0.0259 0.0374 86 TYR L CD1 624 C CD2 . TYR A 88 ? 1.4690 0.6998 0.2159 -0.1242 0.0105 0.0322 86 TYR L CD2 625 C CE1 . TYR A 88 ? 1.4186 0.7149 0.2385 -0.1681 0.0245 0.0440 86 TYR L CE1 626 C CE2 . TYR A 88 ? 1.4664 0.6865 0.2094 -0.1484 0.0090 0.0393 86 TYR L CE2 627 C CZ . TYR A 88 ? 1.4899 0.7442 0.2697 -0.1703 0.0161 0.0452 86 TYR L CZ 628 O OH . TYR A 88 ? 1.4958 0.7431 0.2712 -0.1935 0.0145 0.0520 86 TYR L OH 629 N N . TYR A 89 ? 1.4659 0.7833 0.2822 -0.0858 0.0217 0.0197 87 TYR L N 630 C CA . TYR A 89 ? 1.4533 0.7986 0.2875 -0.0696 0.0256 0.0149 87 TYR L CA 631 C C . TYR A 89 ? 1.4313 0.8317 0.3187 -0.0795 0.0377 0.0172 87 TYR L C 632 O O . TYR A 89 ? 1.3817 0.7906 0.2887 -0.1020 0.0405 0.0233 87 TYR L O 633 C CB . TYR A 89 ? 1.5035 0.8200 0.3154 -0.0711 0.0174 0.0151 87 TYR L CB 634 C CG . TYR A 89 ? 1.5924 0.8469 0.3459 -0.0636 0.0031 0.0134 87 TYR L CG 635 C CD1 . TYR A 89 ? 1.6554 0.8914 0.3791 -0.0348 -0.0031 0.0055 87 TYR L CD1 636 C CD2 . TYR A 89 ? 1.6255 0.8395 0.3516 -0.0861 -0.0052 0.0199 87 TYR L CD2 637 C CE1 . TYR A 89 ? 1.7396 0.9130 0.4046 -0.0271 -0.0177 0.0037 87 TYR L CE1 638 C CE2 . TYR A 89 ? 1.7008 0.8531 0.3688 -0.0815 -0.0197 0.0189 87 TYR L CE2 639 C CZ . TYR A 89 ? 1.8407 0.9702 0.4770 -0.0515 -0.0263 0.0107 87 TYR L CZ 640 O OH . TYR A 89 ? 1.8835 0.9468 0.4577 -0.0461 -0.0421 0.0095 87 TYR L OH 641 N N . CYS A 90 ? 1.3911 0.8288 0.2993 -0.0623 0.0441 0.0122 88 CYS L N 642 C CA . CYS A 90 ? 1.3548 0.8429 0.3092 -0.0698 0.0545 0.0139 88 CYS L CA 643 C C . CYS A 90 ? 1.3960 0.8969 0.3599 -0.0646 0.0547 0.0121 88 CYS L C 644 O O . CYS A 90 ? 1.4088 0.8954 0.3493 -0.0456 0.0494 0.0069 88 CYS L O 645 C CB . CYS A 90 ? 1.3488 0.8742 0.3221 -0.0596 0.0618 0.0111 88 CYS L CB 646 S SG . CYS A 90 ? 1.4241 0.9630 0.3815 -0.0268 0.0603 0.0023 88 CYS L SG 647 N N . LYS A 91 ? 1.3268 0.8545 0.3242 -0.0804 0.0605 0.0161 89 LYS L N 648 C CA . LYS A 91 ? 1.3159 0.8600 0.3286 -0.0796 0.0619 0.0155 89 LYS L CA 649 C C . LYS A 91 ? 1.3614 0.9541 0.4141 -0.0844 0.0714 0.0165 89 LYS L C 650 O O . LYS A 91 ? 1.3241 0.9295 0.3935 -0.0968 0.0758 0.0200 89 LYS L O 651 C CB . LYS A 91 ? 1.3375 0.8591 0.3464 -0.0982 0.0578 0.0205 89 LYS L CB 652 C CG . LYS A 91 ? 1.4090 0.9427 0.4325 -0.1007 0.0585 0.0209 89 LYS L CG 653 C CD . LYS A 91 ? 1.5160 1.0358 0.5407 -0.1221 0.0558 0.0267 89 LYS L CD 654 C CE . LYS A 91 ? 1.7185 1.2485 0.7566 -0.1263 0.0560 0.0276 89 LYS L CE 655 N NZ . LYS A 91 ? 1.8673 1.3642 0.8746 -0.1206 0.0475 0.0260 89 LYS L NZ 656 N N . SER A 92 ? 1.3388 0.9574 0.4042 -0.0746 0.0739 0.0136 90 SER L N 657 C CA . SER A 92 ? 1.3108 0.9728 0.4107 -0.0811 0.0815 0.0151 90 SER L CA 658 C C . SER A 92 ? 1.3727 1.0470 0.4850 -0.0814 0.0819 0.0149 90 SER L C 659 O O . SER A 92 ? 1.3832 1.0473 0.4791 -0.0672 0.0779 0.0110 90 SER L O 660 C CB . SER A 92 ? 1.3352 1.0293 0.4408 -0.0685 0.0857 0.0118 90 SER L CB 661 O OG . SER A 92 ? 1.3934 1.1262 0.5296 -0.0790 0.0921 0.0144 90 SER L OG 662 N N . LEU A 93 ? 1.3191 1.0148 0.4589 -0.0967 0.0863 0.0188 91 LEU L N 663 C CA . LEU A 93 ? 1.3150 1.0266 0.4698 -0.0984 0.0874 0.0190 91 LEU L CA 664 C C . LEU A 93 ? 1.3915 1.1419 0.5585 -0.0890 0.0917 0.0164 91 LEU L C 665 O O . LEU A 93 ? 1.3853 1.1547 0.5595 -0.0910 0.0953 0.0171 91 LEU L O 666 C CB . LEU A 93 ? 1.2899 1.0056 0.4654 -0.1177 0.0893 0.0241 91 LEU L CB 667 C CG . LEU A 93 ? 1.3493 1.0353 0.5158 -0.1293 0.0857 0.0273 91 LEU L CG 668 C CD1 . LEU A 93 ? 1.3276 1.0241 0.5146 -0.1446 0.0879 0.0314 91 LEU L CD1 669 C CD2 . LEU A 93 ? 1.3897 1.0503 0.5378 -0.1255 0.0800 0.0263 91 LEU L CD2 670 N N . THR A 94 ? 1.3748 1.1376 0.5421 -0.0784 0.0911 0.0134 92 THR L N 671 C CA . THR A 94 ? 1.3759 1.1798 0.5533 -0.0690 0.0948 0.0110 92 THR L CA 672 C C . THR A 94 ? 1.4143 1.2481 0.6180 -0.0829 0.0988 0.0145 92 THR L C 673 O O . THR A 94 ? 1.3877 1.2108 0.6027 -0.0995 0.0990 0.0188 92 THR L O 674 C CB . THR A 94 ? 1.5299 1.3335 0.6881 -0.0453 0.0915 0.0046 92 THR L CB 675 O OG1 . THR A 94 ? 1.5317 1.3378 0.6960 -0.0450 0.0905 0.0043 92 THR L OG1 676 C CG2 . THR A 94 ? 1.5499 1.3126 0.6756 -0.0318 0.0853 0.0012 92 THR L CG2 677 N N . SER A 95 ? 1.3916 1.2632 0.6030 -0.0754 0.1013 0.0126 93 SER L N 678 C CA . SER A 95 ? 1.3750 1.2770 0.6077 -0.0874 0.1042 0.0157 93 SER L CA 679 C C . SER A 95 ? 1.4057 1.2910 0.6414 -0.0899 0.1018 0.0161 93 SER L C 680 O O . SER A 95 ? 1.3810 1.2745 0.6326 -0.1048 0.1029 0.0200 93 SER L O 681 C CB . SER A 95 ? 1.4341 1.3815 0.6703 -0.0767 0.1067 0.0131 93 SER L CB 682 O OG . SER A 95 ? 1.5876 1.5332 0.8100 -0.0552 0.1042 0.0073 93 SER L OG 683 N N . THR A 96 ? 1.3751 1.2352 0.5930 -0.0752 0.0978 0.0121 94 THR L N 684 C CA . THR A 96 ? 1.3688 1.2109 0.5853 -0.0749 0.0948 0.0118 94 THR L CA 685 C C . THR A 96 ? 1.4048 1.2064 0.6137 -0.0845 0.0914 0.0142 94 THR L C 686 O O . THR A 96 ? 1.3930 1.1884 0.6084 -0.0980 0.0927 0.0179 94 THR L O 687 C CB . THR A 96 ? 1.5065 1.3485 0.7057 -0.0524 0.0919 0.0057 94 THR L CB 688 O OG1 . THR A 96 ? 1.5309 1.3379 0.7032 -0.0408 0.0872 0.0027 94 THR L OG1 689 C CG2 . THR A 96 ? 1.4919 1.3795 0.6970 -0.0409 0.0953 0.0029 94 THR L CG2 690 N N . ARG A 97 ? 1.3626 1.1384 0.5568 -0.0778 0.0868 0.0123 95 ARG L N 691 C CA . ARG A 97 ? 1.3610 1.1001 0.5443 -0.0864 0.0826 0.0146 95 ARG L CA 692 C C . ARG A 97 ? 1.4362 1.1442 0.5892 -0.0754 0.0777 0.0118 95 ARG L C 693 O O . ARG A 97 ? 1.4458 1.1242 0.5865 -0.0844 0.0742 0.0143 95 ARG L O 694 C CB . ARG A 97 ? 1.3215 1.0526 0.5059 -0.0872 0.0800 0.0145 95 ARG L CB 695 C CG . ARG A 97 ? 1.2888 0.9896 0.4654 -0.0994 0.0759 0.0178 95 ARG L CG 696 C CD . ARG A 97 ? 1.1618 0.8753 0.3616 -0.1149 0.0784 0.0219 95 ARG L CD 697 N NE . ARG A 97 ? 1.1448 0.8778 0.3625 -0.1240 0.0830 0.0244 95 ARG L NE 698 C CZ . ARG A 97 ? 1.3705 1.0968 0.5930 -0.1368 0.0832 0.0280 95 ARG L CZ 699 N NH1 . ARG A 97 ? 1.1778 0.8820 0.3897 -0.1429 0.0794 0.0298 95 ARG L NH1 700 N NH2 . ARG A 97 ? 1.2141 0.9565 0.4505 -0.1437 0.0867 0.0299 95 ARG L NH2 701 N N . ARG A 98 A 1.3924 1.1080 0.5318 -0.0559 0.0769 0.0066 95 ARG L N 702 C CA . ARG A 98 A 1.4190 1.1039 0.5259 -0.0422 0.0713 0.0031 95 ARG L CA 703 C C . ARG A 98 A 1.4747 1.1526 0.5786 -0.0490 0.0726 0.0052 95 ARG L C 704 O O . ARG A 98 A 1.4447 1.1487 0.5727 -0.0605 0.0786 0.0084 95 ARG L O 705 C CB . ARG A 98 A 1.4570 1.1541 0.5490 -0.0164 0.0697 -0.0038 95 ARG L CB 706 C CG . ARG A 98 A 1.6830 1.4145 0.7817 -0.0065 0.0745 -0.0061 95 ARG L CG 707 C CD . ARG A 98 A 1.9281 1.6734 1.0097 0.0211 0.0722 -0.0134 95 ARG L CD 708 N NE . ARG A 98 A 2.0808 1.8492 1.1589 0.0330 0.0747 -0.0163 95 ARG L NE 709 C CZ . ARG A 98 A 2.3346 2.0792 1.3804 0.0527 0.0692 -0.0213 95 ARG L CZ 710 N NH1 . ARG A 98 A 2.1980 1.8918 1.2101 0.0618 0.0603 -0.0239 95 ARG L NH1 711 N NH2 . ARG A 98 A 2.1858 1.9564 1.2310 0.0633 0.0720 -0.0238 95 ARG L NH2 712 N N . ARG A 99 ? 1.4518 1.0915 0.5239 -0.0423 0.0662 0.0036 96 ARG L N 713 C CA . ARG A 99 ? 1.4358 1.0616 0.4987 -0.0471 0.0659 0.0052 96 ARG L CA 714 C C . ARG A 99 ? 1.4981 1.1044 0.5277 -0.0252 0.0607 -0.0005 96 ARG L C 715 O O . ARG A 99 ? 1.5059 1.0880 0.5085 -0.0102 0.0539 -0.0046 96 ARG L O 716 C CB . ARG A 99 ? 1.4160 1.0090 0.4713 -0.0668 0.0622 0.0106 96 ARG L CB 717 C CG . ARG A 99 ? 1.4290 1.0423 0.5160 -0.0869 0.0671 0.0158 96 ARG L CG 718 C CD . ARG A 99 ? 1.5702 1.1576 0.6481 -0.0998 0.0621 0.0193 96 ARG L CD 719 N NE . ARG A 99 ? 1.6528 1.2617 0.7601 -0.1165 0.0666 0.0237 96 ARG L NE 720 C CZ . ARG A 99 ? 1.7521 1.3514 0.8609 -0.1334 0.0654 0.0285 96 ARG L CZ 721 N NH1 . ARG A 99 ? 1.6829 1.2516 0.7660 -0.1385 0.0599 0.0302 96 ARG L NH1 722 N NH2 . ARG A 99 ? 1.3755 0.9961 0.5097 -0.1450 0.0693 0.0315 96 ARG L NH2 723 N N . VAL A 100 ? 1.4682 1.0842 0.4983 -0.0225 0.0634 -0.0009 97 VAL L N 724 C CA . VAL A 100 ? 1.5008 1.1020 0.5005 -0.0010 0.0590 -0.0065 97 VAL L CA 725 C C . VAL A 100 ? 1.5850 1.1447 0.5605 -0.0088 0.0540 -0.0041 97 VAL L C 726 O O . VAL A 100 ? 1.5580 1.1164 0.5494 -0.0308 0.0569 0.0019 97 VAL L O 727 C CB . VAL A 100 ? 1.5287 1.1781 0.5452 0.0117 0.0658 -0.0097 97 VAL L CB 728 C CG1 . VAL A 100 ? 1.5244 1.2042 0.5450 0.0301 0.0667 -0.0148 97 VAL L CG1 729 C CG2 . VAL A 100 ? 1.4845 1.1683 0.5383 -0.0097 0.0745 -0.0040 97 VAL L CG2 730 N N . PHE A 101 ? 1.6004 1.1251 0.5355 0.0097 0.0458 -0.0088 98 PHE L N 731 C CA . PHE A 101 ? 1.6316 1.1128 0.5388 0.0023 0.0397 -0.0065 98 PHE L CA 732 C C . PHE A 101 ? 1.6721 1.1466 0.5560 0.0221 0.0374 -0.0115 98 PHE L C 733 O O . PHE A 101 ? 1.6767 1.1614 0.5467 0.0488 0.0357 -0.0186 98 PHE L O 734 C CB . PHE A 101 ? 1.7025 1.1289 0.5742 -0.0038 0.0288 -0.0049 98 PHE L CB 735 C CG . PHE A 101 ? 1.7162 1.1498 0.6097 -0.0231 0.0307 0.0000 98 PHE L CG 736 C CD1 . PHE A 101 ? 1.7714 1.2062 0.6618 -0.0131 0.0284 -0.0030 98 PHE L CD1 737 C CD2 . PHE A 101 ? 1.7312 1.1736 0.6490 -0.0500 0.0351 0.0073 98 PHE L CD2 738 C CE1 . PHE A 101 ? 1.7625 1.2057 0.6737 -0.0304 0.0303 0.0014 98 PHE L CE1 739 C CE2 . PHE A 101 ? 1.7525 1.2044 0.6902 -0.0660 0.0368 0.0114 98 PHE L CE2 740 C CZ . PHE A 101 ? 1.7291 1.1811 0.6636 -0.0565 0.0344 0.0085 98 PHE L CZ 741 N N . GLY A 102 ? 1.6082 1.0673 0.4882 0.0091 0.0375 -0.0077 99 GLY L N 742 C CA . GLY A 102 ? 1.6199 1.0678 0.4771 0.0238 0.0350 -0.0113 99 GLY L CA 743 C C . GLY A 102 ? 1.7142 1.1016 0.5156 0.0382 0.0216 -0.0149 99 GLY L C 744 O O . GLY A 102 ? 1.7363 1.0809 0.5158 0.0246 0.0139 -0.0113 99 GLY L O 745 N N . THR A 103 ? 1.6733 1.0568 0.4492 0.0658 0.0182 -0.0221 100 THR L N 746 C CA . THR A 103 ? 1.7171 1.0427 0.4343 0.0859 0.0045 -0.0272 100 THR L CA 747 C C . THR A 103 ? 1.7483 1.0181 0.4366 0.0646 -0.0033 -0.0212 100 THR L C 748 O O . THR A 103 ? 1.7890 0.9994 0.4279 0.0687 -0.0165 -0.0221 100 THR L O 749 C CB . THR A 103 ? 1.9188 1.2642 0.6235 0.1181 0.0050 -0.0356 100 THR L CB 750 O OG1 . THR A 103 ? 1.9693 1.3403 0.6971 0.1079 0.0127 -0.0326 100 THR L OG1 751 C CG2 . THR A 103 ? 1.8708 1.2718 0.5986 0.1400 0.0113 -0.0416 100 THR L CG2 752 N N . GLY A 104 ? 1.6545 0.9442 0.3727 0.0416 0.0045 -0.0148 101 GLY L N 753 C CA . GLY A 104 ? 1.6671 0.9158 0.3657 0.0192 -0.0008 -0.0085 101 GLY L CA 754 C C . GLY A 104 ? 1.7275 0.9674 0.4103 0.0280 -0.0016 -0.0104 101 GLY L C 755 O O . GLY A 104 ? 1.7414 0.9893 0.4105 0.0570 -0.0025 -0.0181 101 GLY L O 756 N N . THR A 105 ? 1.6610 0.8863 0.3457 0.0034 -0.0013 -0.0035 102 THR L N 757 C CA . THR A 105 ? 1.6740 0.8869 0.3431 0.0078 -0.0024 -0.0042 102 THR L CA 758 C C . THR A 105 ? 1.7613 0.9186 0.3951 -0.0141 -0.0122 0.0022 102 THR L C 759 O O . THR A 105 ? 1.7368 0.8996 0.3905 -0.0433 -0.0094 0.0101 102 THR L O 760 C CB . THR A 105 ? 1.6543 0.9271 0.3744 0.0027 0.0119 -0.0029 102 THR L CB 761 O OG1 . THR A 105 ? 1.6209 0.9428 0.3678 0.0220 0.0194 -0.0085 102 THR L OG1 762 C CG2 . THR A 105 ? 1.5744 0.8374 0.2799 0.0083 0.0113 -0.0040 102 THR L CG2 763 N N . LYS A 106 ? 1.7594 0.8638 0.3387 0.0004 -0.0242 -0.0013 103 LYS L N 764 C CA . LYS A 106 ? 1.7871 0.8342 0.3255 -0.0197 -0.0351 0.0047 103 LYS L CA 765 C C . LYS A 106 ? 1.8129 0.8748 0.3674 -0.0302 -0.0290 0.0079 103 LYS L C 766 O O . LYS A 106 ? 1.8486 0.8989 0.3820 -0.0100 -0.0314 0.0027 103 LYS L O 767 C CB . LYS A 106 ? 1.8667 0.8449 0.3347 0.0008 -0.0523 -0.0005 103 LYS L CB 768 N N . LEU A 107 ? 1.7046 0.7947 0.2974 -0.0605 -0.0208 0.0161 104 LEU L N 769 C CA . LEU A 107 ? 1.6739 0.7799 0.2847 -0.0732 -0.0147 0.0198 104 LEU L CA 770 C C . LEU A 107 ? 1.7632 0.8141 0.3296 -0.0912 -0.0259 0.0254 104 LEU L C 771 O O . LEU A 107 ? 1.7751 0.8082 0.3331 -0.1176 -0.0307 0.0328 104 LEU L O 772 C CB . LEU A 107 ? 1.6053 0.7687 0.2763 -0.0936 -0.0008 0.0250 104 LEU L CB 773 C CG . LEU A 107 ? 1.6368 0.8155 0.3252 -0.1066 0.0052 0.0289 104 LEU L CG 774 C CD1 . LEU A 107 ? 1.6091 0.8321 0.3292 -0.0886 0.0157 0.0237 104 LEU L CD1 775 C CD2 . LEU A 107 ? 1.6221 0.8209 0.3394 -0.1376 0.0100 0.0373 104 LEU L CD2 776 N N . THR A 108 ? 1.7293 0.7564 0.2680 -0.0775 -0.0301 0.0221 105 THR L N 777 C CA . THR A 108 ? 1.7738 0.7456 0.2657 -0.0920 -0.0416 0.0267 105 THR L CA 778 C C . THR A 108 ? 1.8111 0.8058 0.3278 -0.1076 -0.0338 0.0313 105 THR L C 779 O O . THR A 108 ? 1.7634 0.7931 0.3067 -0.0914 -0.0245 0.0268 105 THR L O 780 C CB . THR A 108 ? 1.9095 0.8201 0.3362 -0.0650 -0.0565 0.0197 105 THR L CB 781 O OG1 . THR A 108 ? 1.9722 0.8693 0.3822 -0.0561 -0.0577 0.0178 105 THR L OG1 782 C CG2 . THR A 108 ? 1.8313 0.7562 0.2588 -0.0298 -0.0556 0.0097 105 THR L CG2 783 N N . VAL A 109 ? 1.7936 0.7712 0.3020 -0.1397 -0.0375 0.0405 106 VAL L N 784 C CA . VAL A 109 ? 1.7794 0.7731 0.3053 -0.1557 -0.0317 0.0452 106 VAL L CA 785 C C . VAL A 109 ? 1.8941 0.8267 0.3608 -0.1503 -0.0448 0.0445 106 VAL L C 786 O O . VAL A 109 ? 1.9381 0.8173 0.3529 -0.1406 -0.0584 0.0420 106 VAL L O 787 C CB . VAL A 109 ? 1.7987 0.8166 0.3521 -0.1912 -0.0273 0.0551 106 VAL L CB 788 C CG1 . VAL A 109 ? 1.7465 0.8089 0.3426 -0.1982 -0.0150 0.0570 106 VAL L CG1 789 C CG2 . VAL A 109 ? 1.7660 0.8160 0.3508 -0.1972 -0.0223 0.0562 106 VAL L CG2 790 N N . LEU A 110 A 1.8514 0.7888 0.3226 -0.1537 -0.0414 0.0458 106 LEU L N 791 C CA . LEU A 110 A 1.9062 0.7851 0.3201 -0.1444 -0.0538 0.0439 106 LEU L CA 792 C C . LEU A 110 A 2.0061 0.8519 0.3923 -0.1717 -0.0608 0.0522 106 LEU L C 793 O O . LEU A 110 A 2.0613 0.8504 0.3925 -0.1634 -0.0733 0.0505 106 LEU L O 794 C CB . LEU A 110 A 1.9016 0.7925 0.3179 -0.1077 -0.0497 0.0337 106 LEU L CB 795 C CG . LEU A 110 A 1.9642 0.8559 0.3720 -0.0753 -0.0517 0.0244 106 LEU L CG 796 C CD1 . LEU A 110 A 1.9089 0.8618 0.3632 -0.0513 -0.0377 0.0174 106 LEU L CD1 797 C CD2 . LEU A 110 A 2.0785 0.8974 0.4126 -0.0546 -0.0697 0.0193 106 LEU L CD2 798 N N . GLY A 111 ? 1.9420 0.8193 0.3608 -0.2034 -0.0542 0.0610 107 GLY L N 799 C CA . GLY A 111 ? 1.9712 0.8228 0.3657 -0.2324 -0.0607 0.0697 107 GLY L CA 800 C C . GLY A 111 ? 2.1283 0.9063 0.4520 -0.2430 -0.0801 0.0732 107 GLY L C 801 O O . GLY A 111 ? 2.1506 0.8773 0.4251 -0.2464 -0.0914 0.0749 107 GLY L O 802 N N . GLN A 112 ? 2.1304 0.9026 0.4482 -0.2472 -0.0844 0.0741 108 GLN L N 803 C CA . GLN A 112 ? 2.2016 0.9098 0.4578 -0.2529 -0.1020 0.0759 108 GLN L CA 804 C C . GLN A 112 ? 2.3234 0.9592 0.5088 -0.2717 -0.1201 0.0820 108 GLN L C 805 O O . GLN A 112 ? 2.3861 0.9602 0.5146 -0.2506 -0.1335 0.0764 108 GLN L O 806 C CB . GLN A 112 ? 2.2542 0.9401 0.4907 -0.2131 -0.1058 0.0644 108 GLN L CB 807 C CG . GLN A 112 ? 2.7001 1.4476 0.9952 -0.1940 -0.0912 0.0583 108 GLN L CG 808 C CD . GLN A 112 ? 3.2202 1.9396 1.4862 -0.1582 -0.0979 0.0481 108 GLN L CD 809 O OE1 . GLN A 112 ? 3.2246 1.9436 1.4855 -0.1263 -0.0963 0.0394 108 GLN L OE1 810 N NE2 . GLN A 112 ? 3.1933 1.8929 1.4412 -0.1617 -0.1051 0.0488 108 GLN L NE2 811 N N . PRO A 113 ? 1.7327 0.8147 0.3665 -0.3285 0.0639 0.0175 109 PRO L N 812 C CA . PRO A 113 ? 1.7108 0.7851 0.3406 -0.3215 0.0649 0.0165 109 PRO L CA 813 C C . PRO A 113 ? 1.7172 0.7997 0.3586 -0.3084 0.0669 0.0131 109 PRO L C 814 O O . PRO A 113 ? 1.6932 0.7795 0.3461 -0.3042 0.0643 0.0134 109 PRO L O 815 C CB . PRO A 113 ? 1.7346 0.7868 0.3578 -0.3243 0.0565 0.0213 109 PRO L CB 816 C CG . PRO A 113 ? 1.8092 0.8564 0.4313 -0.3325 0.0510 0.0245 109 PRO L CG 817 C CD . PRO A 113 ? 1.7526 0.8182 0.3851 -0.3321 0.0548 0.0222 109 PRO L CD 818 N N . LYS A 114 ? 1.6721 0.7568 0.3095 -0.3020 0.0714 0.0096 110 LYS L N 819 C CA . LYS A 114 ? 1.6580 0.7464 0.3022 -0.2895 0.0727 0.0063 110 LYS L CA 820 C C . LYS A 114 ? 1.7054 0.7788 0.3523 -0.2866 0.0657 0.0100 110 LYS L C 821 O O . LYS A 114 ? 1.6840 0.7428 0.3238 -0.2923 0.0609 0.0140 110 LYS L O 822 C CB . LYS A 114 ? 1.6877 0.7760 0.3224 -0.2841 0.0773 0.0022 110 LYS L CB 823 C CG . LYS A 114 ? 1.8279 0.9215 0.4671 -0.2710 0.0792 -0.0024 110 LYS L CG 824 C CD . LYS A 114 ? 2.0074 1.0962 0.6337 -0.2653 0.0821 -0.0063 110 LYS L CD 825 C CE . LYS A 114 ? 2.1537 1.2381 0.7796 -0.2527 0.0811 -0.0096 110 LYS L CE 826 N NZ . LYS A 114 ? 2.1959 1.2778 0.8088 -0.2459 0.0840 -0.0147 110 LYS L NZ 827 N N . ALA A 115 ? 1.6699 0.7486 0.3274 -0.2783 0.0649 0.0086 111 ALA L N 828 C CA . ALA A 115 ? 1.6690 0.7378 0.3303 -0.2754 0.0587 0.0114 111 ALA L CA 829 C C . ALA A 115 ? 1.7189 0.7921 0.3848 -0.2654 0.0603 0.0082 111 ALA L C 830 O O . ALA A 115 ? 1.7119 0.7981 0.3887 -0.2610 0.0624 0.0059 111 ALA L O 831 C CB . ALA A 115 ? 1.6732 0.7453 0.3446 -0.2784 0.0542 0.0139 111 ALA L CB 832 N N . ALA A 116 ? 1.6779 0.7395 0.3342 -0.2619 0.0594 0.0080 112 ALA L N 833 C CA . ALA A 116 ? 1.6655 0.7277 0.3231 -0.2527 0.0599 0.0051 112 ALA L CA 834 C C . ALA A 116 ? 1.7149 0.7778 0.3829 -0.2513 0.0550 0.0074 112 ALA L C 835 O O . ALA A 116 ? 1.7048 0.7627 0.3745 -0.2566 0.0501 0.0114 112 ALA L O 836 C CB . ALA A 116 ? 1.6853 0.7324 0.3275 -0.2504 0.0592 0.0046 112 ALA L CB 837 N N . PRO A 117 ? 1.6675 0.7380 0.3428 -0.2438 0.0561 0.0046 113 PRO L N 838 C CA . PRO A 117 ? 1.6490 0.7220 0.3345 -0.2427 0.0518 0.0065 113 PRO L CA 839 C C . PRO A 117 ? 1.7131 0.7728 0.3910 -0.2443 0.0465 0.0095 113 PRO L C 840 O O . PRO A 117 ? 1.7355 0.7830 0.3997 -0.2436 0.0464 0.0091 113 PRO L O 841 C CB . PRO A 117 ? 1.6636 0.7456 0.3551 -0.2341 0.0547 0.0024 113 PRO L CB 842 C CG . PRO A 117 ? 1.7288 0.8063 0.4082 -0.2293 0.0585 -0.0015 113 PRO L CG 843 C CD . PRO A 117 ? 1.6844 0.7624 0.3590 -0.2357 0.0610 -0.0008 113 PRO L CD 844 N N . SER A 118 ? 1.6539 0.7170 0.3405 -0.2467 0.0418 0.0121 114 SER L N 845 C CA . SER A 118 ? 1.6535 0.7092 0.3357 -0.2490 0.0365 0.0147 114 SER L CA 846 C C . SER A 118 ? 1.6881 0.7497 0.3772 -0.2439 0.0356 0.0134 114 SER L C 847 O O . SER A 118 ? 1.6788 0.7532 0.3823 -0.2419 0.0354 0.0128 114 SER L O 848 C CB . SER A 118 ? 1.7169 0.7754 0.4045 -0.2545 0.0317 0.0178 114 SER L CB 849 O OG . SER A 118 ? 1.9073 0.9790 0.6101 -0.2527 0.0311 0.0172 114 SER L OG 850 N N . VAL A 119 ? 1.6364 0.6873 0.3139 -0.2419 0.0349 0.0128 115 VAL L N 851 C CA . VAL A 119 ? 1.6131 0.6668 0.2941 -0.2373 0.0339 0.0115 115 VAL L CA 852 C C . VAL A 119 ? 1.6187 0.6712 0.2989 -0.2420 0.0282 0.0145 115 VAL L C 853 O O . VAL A 119 ? 1.5981 0.6408 0.2670 -0.2480 0.0249 0.0171 115 VAL L O 854 C CB . VAL A 119 ? 1.6729 0.7184 0.3435 -0.2300 0.0369 0.0077 115 VAL L CB 855 C CG1 . VAL A 119 ? 1.6801 0.7211 0.3474 -0.2263 0.0341 0.0069 115 VAL L CG1 856 C CG2 . VAL A 119 ? 1.6617 0.7195 0.3417 -0.2244 0.0427 0.0039 115 VAL L CG2 857 N N . THR A 120 ? 1.5541 0.6189 0.2475 -0.2399 0.0270 0.0140 116 THR L N 858 C CA . THR A 120 ? 1.5416 0.6105 0.2372 -0.2441 0.0220 0.0162 116 THR L CA 859 C C . THR A 120 ? 1.5908 0.6602 0.2874 -0.2393 0.0222 0.0144 116 THR L C 860 O O . THR A 120 ? 1.5920 0.6718 0.3012 -0.2334 0.0251 0.0120 116 THR L O 861 C CB . THR A 120 ? 1.6643 0.7501 0.3766 -0.2461 0.0200 0.0171 116 THR L CB 862 O OG1 . THR A 120 ? 1.6045 0.6908 0.3191 -0.2470 0.0216 0.0173 116 THR L OG1 863 C CG2 . THR A 120 ? 1.6670 0.7575 0.3786 -0.2523 0.0144 0.0194 116 THR L CG2 864 N N . LEU A 121 ? 1.5612 0.6179 0.2430 -0.2420 0.0188 0.0155 117 LEU L N 865 C CA . LEU A 121 ? 1.5505 0.6040 0.2297 -0.2379 0.0180 0.0140 117 LEU L CA 866 C C . LEU A 121 ? 1.6139 0.6749 0.2966 -0.2437 0.0134 0.0162 117 LEU L C 867 O O . LEU A 121 ? 1.6136 0.6676 0.2843 -0.2520 0.0091 0.0191 117 LEU L O 868 C CB . LEU A 121 ? 1.5611 0.5921 0.2186 -0.2347 0.0174 0.0127 117 LEU L CB 869 C CG . LEU A 121 ? 1.6085 0.6329 0.2607 -0.2288 0.0161 0.0104 117 LEU L CG 870 C CD1 . LEU A 121 ? 1.5745 0.6140 0.2442 -0.2193 0.0207 0.0065 117 LEU L CD1 871 C CD2 . LEU A 121 ? 1.6957 0.6949 0.3233 -0.2254 0.0142 0.0089 117 LEU L CD2 872 N N . PHE A 122 ? 1.5774 0.6531 0.2760 -0.2395 0.0143 0.0146 118 PHE L N 873 C CA . PHE A 122 ? 1.5675 0.6547 0.2731 -0.2438 0.0107 0.0160 118 PHE L CA 874 C C . PHE A 122 ? 1.6720 0.7500 0.3684 -0.2425 0.0087 0.0155 118 PHE L C 875 O O . PHE A 122 ? 1.6680 0.7436 0.3672 -0.2339 0.0114 0.0125 118 PHE L O 876 C CB . PHE A 122 ? 1.5598 0.6692 0.2888 -0.2402 0.0124 0.0146 118 PHE L CB 877 C CG . PHE A 122 ? 1.5645 0.6844 0.3023 -0.2432 0.0119 0.0156 118 PHE L CG 878 C CD1 . PHE A 122 ? 1.5812 0.6984 0.3210 -0.2401 0.0153 0.0148 118 PHE L CD1 879 C CD2 . PHE A 122 ? 1.5919 0.7254 0.3357 -0.2488 0.0075 0.0170 118 PHE L CD2 880 C CE1 . PHE A 122 ? 1.5793 0.7040 0.3255 -0.2428 0.0138 0.0157 118 PHE L CE1 881 C CE2 . PHE A 122 ? 1.6147 0.7575 0.3660 -0.2501 0.0062 0.0173 118 PHE L CE2 882 C CZ . PHE A 122 ? 1.5717 0.7085 0.3235 -0.2471 0.0091 0.0168 118 PHE L CZ 883 N N . PRO A 123 ? 1.6790 0.7532 0.3647 -0.2514 0.0036 0.0182 119 PRO L N 884 C CA . PRO A 123 ? 1.6973 0.7625 0.3737 -0.2511 0.0008 0.0180 119 PRO L CA 885 C C . PRO A 123 ? 1.7711 0.8582 0.4682 -0.2488 0.0015 0.0168 119 PRO L C 886 O O . PRO A 123 ? 1.7478 0.8552 0.4634 -0.2489 0.0030 0.0167 119 PRO L O 887 C CB . PRO A 123 ? 1.7335 0.7883 0.3906 -0.2637 -0.0050 0.0218 119 PRO L CB 888 C CG . PRO A 123 ? 1.7763 0.8475 0.4426 -0.2705 -0.0053 0.0237 119 PRO L CG 889 C CD . PRO A 123 ? 1.7058 0.7857 0.3878 -0.2624 -0.0002 0.0215 119 PRO L CD 890 N N . PRO A 124 ? 1.7670 0.8497 0.4610 -0.2463 0.0001 0.0159 120 PRO L N 891 C CA . PRO A 124 ? 1.7608 0.8647 0.4746 -0.2445 0.0007 0.0149 120 PRO L CA 892 C C . PRO A 124 ? 1.8347 0.9537 0.5516 -0.2556 -0.0033 0.0176 120 PRO L C 893 O O . PRO A 124 ? 1.8423 0.9511 0.5413 -0.2656 -0.0078 0.0204 120 PRO L O 894 C CB . PRO A 124 ? 1.7937 0.8849 0.4988 -0.2396 -0.0005 0.0134 120 PRO L CB 895 C CG . PRO A 124 ? 1.8654 0.9298 0.5488 -0.2358 -0.0009 0.0125 120 PRO L CG 896 C CD . PRO A 124 ? 1.8132 0.8711 0.4851 -0.2448 -0.0028 0.0156 120 PRO L CD 897 N N . SER A 125 ? 1.7962 0.9401 0.5354 -0.2539 -0.0020 0.0165 121 SER L N 898 C CA . SER A 125 ? 1.7998 0.9643 0.5464 -0.2622 -0.0054 0.0178 121 SER L CA 899 C C . SER A 125 ? 1.8491 1.0168 0.5910 -0.2681 -0.0089 0.0187 121 SER L C 900 O O . SER A 125 ? 1.8463 1.0087 0.5900 -0.2622 -0.0076 0.0173 121 SER L O 901 C CB . SER A 125 ? 1.8459 1.0336 0.6169 -0.2559 -0.0033 0.0155 121 SER L CB 902 O OG . SER A 125 ? 1.9268 1.1175 0.7107 -0.2462 0.0002 0.0130 121 SER L OG 903 N N . SER A 126 ? 1.8090 0.9867 0.5448 -0.2802 -0.0133 0.0209 122 SER L N 904 C CA . SER A 126 ? 1.8231 1.0052 0.5529 -0.2882 -0.0170 0.0221 122 SER L CA 905 C C . SER A 126 ? 1.8427 1.0445 0.5932 -0.2817 -0.0155 0.0195 122 SER L C 906 O O . SER A 126 ? 1.8196 1.0189 0.5651 -0.2846 -0.0174 0.0200 122 SER L O 907 C CB . SER A 126 ? 1.8956 1.0904 0.6175 -0.3027 -0.0215 0.0244 122 SER L CB 908 O OG . SER A 126 ? 2.0254 1.2491 0.7667 -0.3015 -0.0212 0.0225 122 SER L OG 909 N N . GLU A 127 ? 1.7904 1.0101 0.5630 -0.2730 -0.0125 0.0168 123 GLU L N 910 C CA . GLU A 127 ? 1.7656 1.0044 0.5603 -0.2649 -0.0106 0.0139 123 GLU L CA 911 C C . GLU A 127 ? 1.8184 1.0414 0.6133 -0.2557 -0.0072 0.0128 123 GLU L C 912 O O . GLU A 127 ? 1.8112 1.0410 0.6129 -0.2537 -0.0074 0.0118 123 GLU L O 913 C CB . GLU A 127 ? 1.7639 1.0182 0.5764 -0.2582 -0.0089 0.0117 123 GLU L CB 914 C CG . GLU A 127 ? 1.9089 1.1748 0.7194 -0.2650 -0.0121 0.0123 123 GLU L CG 915 C CD . GLU A 127 ? 2.2489 1.4981 1.0481 -0.2657 -0.0111 0.0138 123 GLU L CD 916 O OE1 . GLU A 127 ? 2.1750 1.4242 0.9836 -0.2580 -0.0089 0.0123 123 GLU L OE1 917 O OE2 . GLU A 127 ? 2.1710 1.4071 0.9514 -0.2746 -0.0130 0.0165 123 GLU L OE2 918 N N . GLU A 128 ? 1.7666 0.9694 0.5534 -0.2500 -0.0043 0.0126 124 GLU L N 919 C CA . GLU A 128 ? 1.7550 0.9429 0.5400 -0.2406 -0.0011 0.0109 124 GLU L CA 920 C C . GLU A 128 ? 1.7915 0.9596 0.5560 -0.2445 -0.0044 0.0122 124 GLU L C 921 O O . GLU A 128 ? 1.7681 0.9286 0.5325 -0.2373 -0.0032 0.0103 124 GLU L O 922 C CB . GLU A 128 ? 1.7785 0.9529 0.5590 -0.2349 0.0024 0.0101 124 GLU L CB 923 C CG . GLU A 128 ? 1.9077 1.0757 0.6931 -0.2234 0.0068 0.0071 124 GLU L CG 924 C CD . GLU A 128 ? 2.1268 1.2772 0.9009 -0.2186 0.0095 0.0061 124 GLU L CD 925 O OE1 . GLU A 128 ? 1.8304 0.9730 0.6028 -0.2100 0.0120 0.0034 124 GLU L OE1 926 O OE2 . GLU A 128 ? 2.0754 1.2210 0.8428 -0.2229 0.0093 0.0077 124 GLU L OE2 927 N N . LEU A 129 ? 1.7740 0.9328 0.5199 -0.2558 -0.0088 0.0152 125 LEU L N 928 C CA . LEU A 129 ? 1.8046 0.9407 0.5266 -0.2612 -0.0131 0.0170 125 LEU L CA 929 C C . LEU A 129 ? 1.8737 1.0168 0.5972 -0.2649 -0.0160 0.0173 125 LEU L C 930 O O . LEU A 129 ? 1.8800 1.0034 0.5894 -0.2625 -0.0181 0.0170 125 LEU L O 931 C CB . LEU A 129 ? 1.8238 0.9453 0.5230 -0.2730 -0.0173 0.0204 125 LEU L CB 932 C CG . LEU A 129 ? 1.8888 0.9901 0.5763 -0.2684 -0.0156 0.0202 125 LEU L CG 933 C CD1 . LEU A 129 ? 1.9143 1.0032 0.5802 -0.2811 -0.0199 0.0238 125 LEU L CD1 934 C CD2 . LEU A 129 ? 1.9157 0.9922 0.5911 -0.2578 -0.0150 0.0178 125 LEU L CD2 935 N N . GLN A 130 ? 1.8219 0.9932 0.5625 -0.2699 -0.0162 0.0174 126 GLN L N 936 C CA . GLN A 130 ? 1.8135 0.9951 0.5581 -0.2733 -0.0184 0.0174 126 GLN L CA 937 C C . GLN A 130 ? 1.8748 1.0597 0.6359 -0.2595 -0.0145 0.0140 126 GLN L C 938 O O . GLN A 130 ? 1.8857 1.0652 0.6430 -0.2589 -0.0162 0.0137 126 GLN L O 939 C CB . GLN A 130 ? 1.8052 1.0174 0.5620 -0.2828 -0.0202 0.0179 126 GLN L CB 940 C CG . GLN A 130 ? 1.7041 0.9435 0.4879 -0.2752 -0.0165 0.0151 126 GLN L CG 941 C CD . GLN A 130 ? 1.7762 1.0398 0.5650 -0.2844 -0.0190 0.0155 126 GLN L CD 942 O OE1 . GLN A 130 ? 1.7904 1.0506 0.5622 -0.2971 -0.0227 0.0182 126 GLN L OE1 943 N NE2 . GLN A 130 ? 1.4756 0.7638 0.2870 -0.2777 -0.0174 0.0126 126 GLN L NE2 944 N N . ALA A 131 ? 1.8268 1.0181 0.6039 -0.2489 -0.0094 0.0116 127 ALA L N 945 C CA . ALA A 131 ? 1.8166 1.0123 0.6100 -0.2358 -0.0050 0.0083 127 ALA L CA 946 C C . ALA A 131 ? 1.8735 1.0437 0.6523 -0.2283 -0.0046 0.0069 127 ALA L C 947 O O . ALA A 131 ? 1.8734 1.0470 0.6636 -0.2179 -0.0015 0.0040 127 ALA L O 948 C CB . ALA A 131 ? 1.8100 1.0186 0.6210 -0.2292 -0.0005 0.0066 127 ALA L CB 949 N N . ASN A 132 ? 1.8192 0.9644 0.5719 -0.2336 -0.0085 0.0089 128 ASN L N 950 C CA . ASN A 132 ? 1.8231 0.9406 0.5560 -0.2274 -0.0102 0.0075 128 ASN L CA 951 C C . ASN A 132 ? 1.8417 0.9505 0.5752 -0.2157 -0.0058 0.0044 128 ASN L C 952 O O . ASN A 132 ? 1.8449 0.9394 0.5709 -0.2057 -0.0055 0.0013 128 ASN L O 953 C CB . ASN A 132 ? 1.8228 0.9359 0.5535 -0.2243 -0.0126 0.0063 128 ASN L CB 954 C CG . ASN A 132 ? 2.1583 1.2387 0.8587 -0.2252 -0.0186 0.0068 128 ASN L CG 955 O OD1 . ASN A 132 ? 2.1471 1.2123 0.8410 -0.2132 -0.0183 0.0033 128 ASN L OD1 956 N ND2 . ASN A 132 ? 2.0206 1.0894 0.7007 -0.2393 -0.0247 0.0109 128 ASN L ND2 957 N N . LYS A 133 ? 1.7594 0.8765 0.5000 -0.2174 -0.0027 0.0051 129 LYS L N 958 C CA . LYS A 133 ? 1.7433 0.8545 0.4843 -0.2088 0.0016 0.0026 129 LYS L CA 959 C C . LYS A 133 ? 1.8000 0.9010 0.5274 -0.2161 0.0002 0.0052 129 LYS L C 960 O O . LYS A 133 ? 1.7798 0.8867 0.5054 -0.2274 -0.0026 0.0087 129 LYS L O 961 C CB . LYS A 133 ? 1.7422 0.8769 0.5098 -0.2019 0.0077 0.0003 129 LYS L CB 962 C CG . LYS A 133 ? 1.7942 0.9293 0.5682 -0.1893 0.0111 -0.0040 129 LYS L CG 963 C CD . LYS A 133 ? 1.8297 0.9876 0.6285 -0.1843 0.0167 -0.0059 129 LYS L CD 964 C CE . LYS A 133 ? 1.9396 1.0953 0.7385 -0.1772 0.0215 -0.0086 129 LYS L CE 965 N NZ . LYS A 133 ? 1.9283 1.1042 0.7488 -0.1719 0.0266 -0.0108 129 LYS L NZ 966 N N . ALA A 134 ? 1.7822 0.8684 0.4996 -0.2097 0.0022 0.0033 130 ALA L N 967 C CA . ALA A 134 ? 1.7922 0.8662 0.4954 -0.2150 0.0013 0.0052 130 ALA L CA 968 C C . ALA A 134 ? 1.8275 0.9035 0.5371 -0.2062 0.0070 0.0022 130 ALA L C 969 O O . ALA A 134 ? 1.8448 0.9041 0.5407 -0.1988 0.0073 -0.0006 130 ALA L O 970 C CB . ALA A 134 ? 1.8301 0.8748 0.5031 -0.2189 -0.0048 0.0066 130 ALA L CB 971 N N . THR A 135 ? 1.7414 0.8381 0.4713 -0.2069 0.0111 0.0025 131 THR L N 972 C CA . THR A 135 ? 1.7284 0.8291 0.4650 -0.2005 0.0164 0.0001 131 THR L CA 973 C C . THR A 135 ? 1.8014 0.8962 0.5298 -0.2077 0.0159 0.0028 131 THR L C 974 O O . THR A 135 ? 1.8071 0.9123 0.5424 -0.2158 0.0144 0.0058 131 THR L O 975 C CB . THR A 135 ? 1.7844 0.9087 0.5463 -0.1959 0.0210 -0.0017 131 THR L CB 976 O OG1 . THR A 135 ? 1.8254 0.9561 0.5949 -0.1920 0.0203 -0.0031 131 THR L OG1 977 C CG2 . THR A 135 ? 1.7485 0.8760 0.5151 -0.1882 0.0266 -0.0051 131 THR L CG2 978 N N . LEU A 136 ? 1.7526 0.8313 0.4660 -0.2043 0.0168 0.0014 132 LEU L N 979 C CA . LEU A 136 ? 1.7467 0.8183 0.4514 -0.2102 0.0167 0.0036 132 LEU L CA 980 C C . LEU A 136 ? 1.8021 0.8882 0.5224 -0.2066 0.0224 0.0020 132 LEU L C 981 O O . LEU A 136 ? 1.8072 0.8962 0.5316 -0.1978 0.0265 -0.0019 132 LEU L O 982 C CB . LEU A 136 ? 1.7686 0.8150 0.4485 -0.2076 0.0148 0.0024 132 LEU L CB 983 C CG . LEU A 136 ? 1.8373 0.8635 0.4957 -0.2129 0.0081 0.0046 132 LEU L CG 984 C CD1 . LEU A 136 ? 1.8456 0.8611 0.4961 -0.2036 0.0064 0.0010 132 LEU L CD1 985 C CD2 . LEU A 136 ? 1.8704 0.8754 0.5064 -0.2173 0.0055 0.0063 132 LEU L CD2 986 N N . VAL A 137 ? 1.7490 0.8450 0.4778 -0.2134 0.0223 0.0047 133 VAL L N 987 C CA . VAL A 137 ? 1.7146 0.8228 0.4566 -0.2121 0.0265 0.0040 133 VAL L CA 988 C C . VAL A 137 ? 1.7468 0.8450 0.4779 -0.2160 0.0271 0.0053 133 VAL L C 989 O O . VAL A 137 ? 1.7414 0.8349 0.4658 -0.2235 0.0235 0.0085 133 VAL L O 990 C CB . VAL A 137 ? 1.7386 0.8661 0.5000 -0.2148 0.0258 0.0053 133 VAL L CB 991 C CG1 . VAL A 137 ? 1.7277 0.8656 0.5015 -0.2116 0.0301 0.0037 133 VAL L CG1 992 C CG2 . VAL A 137 ? 1.7282 0.8644 0.4984 -0.2126 0.0242 0.0046 133 VAL L CG2 993 N N . CYS A 138 ? 1.6956 0.7925 0.4256 -0.2109 0.0316 0.0026 134 CYS L N 994 C CA . CYS A 138 ? 1.6972 0.7855 0.4173 -0.2132 0.0332 0.0030 134 CYS L CA 995 C C . CYS A 138 ? 1.7331 0.8354 0.4673 -0.2147 0.0364 0.0032 134 CYS L C 996 O O . CYS A 138 ? 1.7274 0.8389 0.4696 -0.2097 0.0408 0.0002 134 CYS L O 997 C CB . CYS A 138 ? 1.7221 0.7999 0.4298 -0.2057 0.0359 -0.0009 134 CYS L CB 998 S SG . CYS A 138 ? 1.7964 0.8613 0.4884 -0.2079 0.0377 -0.0009 134 CYS L SG 999 N N . LEU A 139 ? 1.6787 0.7828 0.4154 -0.2218 0.0336 0.0065 135 LEU L N 1000 C CA . LEU A 139 ? 1.6545 0.7687 0.4021 -0.2240 0.0349 0.0071 135 LEU L CA 1001 C C . LEU A 139 ? 1.6370 0.7437 0.3756 -0.2271 0.0370 0.0076 135 LEU L C 1002 O O . LEU A 139 ? 1.6278 0.7260 0.3580 -0.2326 0.0342 0.0101 135 LEU L O 1003 C CB . LEU A 139 ? 1.6512 0.7746 0.4094 -0.2277 0.0302 0.0094 135 LEU L CB 1004 C CG . LEU A 139 ? 1.7312 0.8637 0.4987 -0.2247 0.0284 0.0087 135 LEU L CG 1005 C CD1 . LEU A 139 ? 1.7406 0.8795 0.5125 -0.2290 0.0229 0.0107 135 LEU L CD1 1006 C CD2 . LEU A 139 ? 1.7745 0.9199 0.5570 -0.2196 0.0313 0.0064 135 LEU L CD2 1007 N N . ILE A 140 ? 1.5531 0.6638 0.2932 -0.2237 0.0422 0.0048 136 ILE L N 1008 C CA . ILE A 140 ? 1.5494 0.6553 0.2812 -0.2260 0.0454 0.0043 136 ILE L CA 1009 C C . ILE A 140 ? 1.6054 0.7170 0.3439 -0.2316 0.0448 0.0063 136 ILE L C 1010 O O . ILE A 140 ? 1.6069 0.7302 0.3562 -0.2306 0.0467 0.0052 136 ILE L O 1011 C CB . ILE A 140 ? 1.5753 0.6862 0.3059 -0.2192 0.0511 -0.0003 136 ILE L CB 1012 C CG1 . ILE A 140 ? 1.5638 0.6669 0.2866 -0.2124 0.0502 -0.0026 136 ILE L CG1 1013 C CG2 . ILE A 140 ? 1.5910 0.6993 0.3126 -0.2213 0.0550 -0.0016 136 ILE L CG2 1014 C CD1 . ILE A 140 ? 1.4810 0.5947 0.2113 -0.2045 0.0532 -0.0068 136 ILE L CD1 1015 N N . SER A 141 ? 1.5567 0.6592 0.2877 -0.2377 0.0417 0.0093 137 SER L N 1016 C CA . SER A 141 ? 1.5548 0.6601 0.2903 -0.2427 0.0398 0.0111 137 SER L CA 1017 C C . SER A 141 ? 1.6125 0.7095 0.3373 -0.2483 0.0409 0.0122 137 SER L C 1018 O O . SER A 141 ? 1.6191 0.7071 0.3322 -0.2487 0.0428 0.0120 137 SER L O 1019 C CB . SER A 141 ? 1.6045 0.7112 0.3461 -0.2443 0.0331 0.0134 137 SER L CB 1020 O OG . SER A 141 ? 1.7395 0.8394 0.4742 -0.2452 0.0299 0.0148 137 SER L OG 1021 N N . ASP A 142 ? 1.5693 0.6684 0.2971 -0.2527 0.0395 0.0135 138 ASP L N 1022 C CA . ASP A 142 ? 1.5743 0.6653 0.2921 -0.2594 0.0395 0.0151 138 ASP L CA 1023 C C . ASP A 142 ? 1.6523 0.7425 0.3611 -0.2601 0.0462 0.0130 138 ASP L C 1024 O O . ASP A 142 ? 1.6864 0.7662 0.3832 -0.2637 0.0463 0.0141 138 ASP L O 1025 C CB . ASP A 142 ? 1.5942 0.6735 0.3048 -0.2627 0.0334 0.0180 138 ASP L CB 1026 C CG . ASP A 142 ? 1.6195 0.7009 0.3377 -0.2625 0.0262 0.0195 138 ASP L CG 1027 O OD1 . ASP A 142 ? 1.5829 0.6684 0.3067 -0.2635 0.0248 0.0194 138 ASP L OD1 1028 O OD2 . ASP A 142 ? 1.7020 0.7808 0.4192 -0.2618 0.0216 0.0205 138 ASP L OD2 1029 N N . PHE A 143 ? 1.5788 0.6813 0.2937 -0.2564 0.0516 0.0097 139 PHE L N 1030 C CA . PHE A 143 ? 1.5776 0.6831 0.2849 -0.2560 0.0580 0.0067 139 PHE L CA 1031 C C . PHE A 143 ? 1.6790 0.7952 0.3874 -0.2615 0.0620 0.0056 139 PHE L C 1032 O O . PHE A 143 ? 1.6841 0.8090 0.4018 -0.2632 0.0613 0.0060 139 PHE L O 1033 C CB . PHE A 143 ? 1.5825 0.6916 0.2900 -0.2467 0.0612 0.0027 139 PHE L CB 1034 C CG . PHE A 143 ? 1.5817 0.7058 0.3019 -0.2407 0.0635 -0.0002 139 PHE L CG 1035 C CD1 . PHE A 143 ? 1.6086 0.7465 0.3304 -0.2375 0.0696 -0.0048 139 PHE L CD1 1036 C CD2 . PHE A 143 ? 1.5916 0.7172 0.3221 -0.2379 0.0596 0.0011 139 PHE L CD2 1037 C CE1 . PHE A 143 ? 1.5981 0.7504 0.3317 -0.2317 0.0716 -0.0077 139 PHE L CE1 1038 C CE2 . PHE A 143 ? 1.6034 0.7425 0.3454 -0.2324 0.0617 -0.0016 139 PHE L CE2 1039 C CZ . PHE A 143 ? 1.5743 0.7263 0.3178 -0.2292 0.0676 -0.0059 139 PHE L CZ 1040 N N . TYR A 144 ? 1.6567 0.7719 0.3544 -0.2650 0.0659 0.0043 140 TYR L N 1041 C CA . TYR A 144 ? 1.6665 0.7926 0.3627 -0.2718 0.0701 0.0033 140 TYR L CA 1042 C C . TYR A 144 ? 1.7532 0.8852 0.4404 -0.2705 0.0764 -0.0009 140 TYR L C 1043 O O . TYR A 144 ? 1.7572 0.8765 0.4335 -0.2705 0.0757 -0.0002 140 TYR L O 1044 C CB . TYR A 144 ? 1.6815 0.7971 0.3716 -0.2829 0.0656 0.0080 140 TYR L CB 1045 C CG . TYR A 144 ? 1.6875 0.8139 0.3777 -0.2915 0.0681 0.0079 140 TYR L CG 1046 C CD1 . TYR A 144 ? 1.7089 0.8386 0.4071 -0.2943 0.0648 0.0097 140 TYR L CD1 1047 C CD2 . TYR A 144 ? 1.6895 0.8230 0.3708 -0.2976 0.0735 0.0061 140 TYR L CD2 1048 C CE1 . TYR A 144 ? 1.7280 0.8663 0.4244 -0.3037 0.0665 0.0101 140 TYR L CE1 1049 C CE2 . TYR A 144 ? 1.7022 0.8470 0.3827 -0.3071 0.0758 0.0061 140 TYR L CE2 1050 C CZ . TYR A 144 ? 1.8001 0.9457 0.4871 -0.3109 0.0719 0.0085 140 TYR L CZ 1051 O OH . TYR A 144 ? 1.7675 0.9220 0.4511 -0.3220 0.0734 0.0091 140 TYR L OH 1052 N N . PRO A 145 ? 1.7107 0.8627 0.4018 -0.2695 0.0826 -0.0054 141 PRO L N 1053 C CA . PRO A 145 ? 1.6883 0.8575 0.3918 -0.2700 0.0842 -0.0066 141 PRO L CA 1054 C C . PRO A 145 ? 1.6766 0.8484 0.3918 -0.2591 0.0827 -0.0081 141 PRO L C 1055 O O . PRO A 145 ? 1.6493 0.8118 0.3619 -0.2507 0.0813 -0.0092 141 PRO L O 1056 C CB . PRO A 145 ? 1.7167 0.9063 0.4176 -0.2719 0.0915 -0.0116 141 PRO L CB 1057 C CG . PRO A 145 ? 1.7848 0.9708 0.4768 -0.2640 0.0940 -0.0155 141 PRO L CG 1058 C CD . PRO A 145 ? 1.7367 0.8973 0.4196 -0.2669 0.0885 -0.0104 141 PRO L CD 1059 N N . GLY A 146 ? 1.6115 0.7943 0.3382 -0.2601 0.0824 -0.0078 142 GLY L N 1060 C CA . GLY A 146 ? 1.5871 0.7731 0.3257 -0.2512 0.0806 -0.0087 142 GLY L CA 1061 C C . GLY A 146 ? 1.6186 0.8186 0.3616 -0.2402 0.0854 -0.0149 142 GLY L C 1062 O O . GLY A 146 ? 1.6059 0.8226 0.3592 -0.2382 0.0878 -0.0173 142 GLY L O 1063 N N . ALA A 147 ? 1.5676 0.7596 0.3019 -0.2326 0.0859 -0.0176 143 ALA L N 1064 C CA . ALA A 147 ? 1.5562 0.7562 0.2908 -0.2200 0.0889 -0.0240 143 ALA L CA 1065 C C . ALA A 147 ? 1.6254 0.8060 0.3486 -0.2133 0.0858 -0.0242 143 ALA L C 1066 O O . ALA A 147 ? 1.6406 0.8083 0.3526 -0.2179 0.0848 -0.0221 143 ALA L O 1067 C CB . ALA A 147 ? 1.5685 0.7880 0.3003 -0.2193 0.0955 -0.0298 143 ALA L CB 1068 N N . VAL A 148 ? 1.5954 0.7733 0.3204 -0.2027 0.0842 -0.0269 144 VAL L N 1069 C CA . VAL A 148 ? 1.6079 0.7663 0.3203 -0.1958 0.0806 -0.0275 144 VAL L CA 1070 C C . VAL A 148 ? 1.6994 0.8631 0.4121 -0.1825 0.0812 -0.0337 144 VAL L C 1071 O O . VAL A 148 ? 1.6872 0.8673 0.4127 -0.1793 0.0832 -0.0359 144 VAL L O 1072 C CB . VAL A 148 ? 1.6382 0.7779 0.3500 -0.2000 0.0741 -0.0211 144 VAL L CB 1073 C CG1 . VAL A 148 ? 1.6384 0.7677 0.3450 -0.2109 0.0721 -0.0157 144 VAL L CG1 1074 C CG2 . VAL A 148 ? 1.6148 0.7620 0.3417 -0.1999 0.0721 -0.0193 144 VAL L CG2 1075 N N . THR A 149 ? 1.6864 0.8342 0.3842 -0.1748 0.0788 -0.0363 145 THR L N 1076 C CA . THR A 149 ? 1.6969 0.8424 0.3907 -0.1614 0.0772 -0.0417 145 THR L CA 1077 C C . THR A 149 ? 1.7801 0.9004 0.4646 -0.1618 0.0703 -0.0374 145 THR L C 1078 O O . THR A 149 ? 1.8096 0.9117 0.4800 -0.1653 0.0677 -0.0349 145 THR L O 1079 C CB . THR A 149 ? 1.8172 0.9658 0.4987 -0.1508 0.0796 -0.0497 145 THR L CB 1080 O OG1 . THR A 149 ? 1.9282 1.0688 0.5980 -0.1562 0.0806 -0.0485 145 THR L OG1 1081 C CG2 . THR A 149 ? 1.7535 0.9310 0.4460 -0.1447 0.0854 -0.0565 145 THR L CG2 1082 N N . VAL A 150 ? 1.7193 0.8391 0.4115 -0.1593 0.0674 -0.0362 146 VAL L N 1083 C CA . VAL A 150 ? 1.7309 0.8284 0.4139 -0.1608 0.0607 -0.0321 146 VAL L CA 1084 C C . VAL A 150 ? 1.8094 0.8903 0.4744 -0.1490 0.0570 -0.0370 146 VAL L C 1085 O O . VAL A 150 ? 1.8130 0.9029 0.4763 -0.1381 0.0596 -0.0442 146 VAL L O 1086 C CB . VAL A 150 ? 1.7661 0.8709 0.4652 -0.1652 0.0589 -0.0281 146 VAL L CB 1087 C CG1 . VAL A 150 ? 1.7710 0.8562 0.4613 -0.1683 0.0521 -0.0238 146 VAL L CG1 1088 C CG2 . VAL A 150 ? 1.7450 0.8633 0.4587 -0.1756 0.0615 -0.0238 146 VAL L CG2 1089 N N . ALA A 151 ? 1.7792 0.8356 0.4293 -0.1514 0.0505 -0.0335 147 ALA L N 1090 C CA . ALA A 151 ? 1.8045 0.8398 0.4344 -0.1417 0.0452 -0.0371 147 ALA L CA 1091 C C . ALA A 151 ? 1.8711 0.8842 0.4900 -0.1480 0.0378 -0.0315 147 ALA L C 1092 O O . ALA A 151 ? 1.8700 0.8691 0.4793 -0.1575 0.0351 -0.0264 147 ALA L O 1093 C CB . ALA A 151 ? 1.8341 0.8583 0.4455 -0.1360 0.0454 -0.0413 147 ALA L CB 1094 N N . TRP A 152 ? 1.8220 0.8325 0.4419 -0.1431 0.0344 -0.0326 148 TRP L N 1095 C CA . TRP A 152 ? 1.8318 0.8228 0.4409 -0.1497 0.0273 -0.0275 148 TRP L CA 1096 C C . TRP A 152 ? 1.9488 0.9107 0.5297 -0.1427 0.0205 -0.0302 148 TRP L C 1097 O O . TRP A 152 ? 1.9689 0.9283 0.5417 -0.1293 0.0208 -0.0373 148 TRP L O 1098 C CB . TRP A 152 ? 1.8001 0.8037 0.4254 -0.1508 0.0269 -0.0261 148 TRP L CB 1099 C CG . TRP A 152 ? 1.7858 0.8140 0.4363 -0.1589 0.0318 -0.0226 148 TRP L CG 1100 C CD1 . TRP A 152 ? 1.8069 0.8594 0.4769 -0.1553 0.0384 -0.0254 148 TRP L CD1 1101 C CD2 . TRP A 152 ? 1.7694 0.8003 0.4275 -0.1714 0.0298 -0.0159 148 TRP L CD2 1102 N NE1 . TRP A 152 ? 1.7821 0.8496 0.4703 -0.1646 0.0400 -0.0208 148 TRP L NE1 1103 C CE2 . TRP A 152 ? 1.8006 0.8561 0.4824 -0.1739 0.0349 -0.0152 148 TRP L CE2 1104 C CE3 . TRP A 152 ? 1.7905 0.8062 0.4370 -0.1810 0.0240 -0.0107 148 TRP L CE3 1105 C CZ2 . TRP A 152 ? 1.7763 0.8408 0.4703 -0.1840 0.0339 -0.0100 148 TRP L CZ2 1106 C CZ3 . TRP A 152 ? 1.7919 0.8196 0.4519 -0.1914 0.0236 -0.0056 148 TRP L CZ3 1107 C CH2 . TRP A 152 ? 1.7775 0.8289 0.4609 -0.1921 0.0283 -0.0056 148 TRP L CH2 1108 N N . LYS A 153 ? 1.9340 0.8738 0.4987 -0.1521 0.0138 -0.0247 149 LYS L N 1109 C CA . LYS A 153 ? 1.9699 0.8770 0.5041 -0.1485 0.0057 -0.0258 149 LYS L CA 1110 C C . LYS A 153 ? 2.0579 0.9506 0.5832 -0.1593 -0.0012 -0.0197 149 LYS L C 1111 O O . LYS A 153 ? 2.0219 0.9236 0.5574 -0.1730 -0.0003 -0.0134 149 LYS L O 1112 C CB . LYS A 153 ? 2.0179 0.9085 0.5339 -0.1513 0.0048 -0.0250 149 LYS L CB 1113 C CG . LYS A 153 ? 2.1493 1.0485 0.6664 -0.1395 0.0100 -0.0320 149 LYS L CG 1114 C CD . LYS A 153 ? 2.2343 1.1301 0.7463 -0.1471 0.0122 -0.0292 149 LYS L CD 1115 C CE . LYS A 153 ? 2.3590 1.2530 0.8612 -0.1348 0.0145 -0.0365 149 LYS L CE 1116 N NZ . LYS A 153 ? 2.4629 1.3446 0.9522 -0.1419 0.0143 -0.0337 149 LYS L NZ 1117 N N . ALA A 154 ? 2.0848 0.9556 0.5906 -0.1530 -0.0083 -0.0220 150 ALA L N 1118 C CA . ALA A 154 ? 2.1122 0.9637 0.6026 -0.1625 -0.0163 -0.0170 150 ALA L CA 1119 C C . ALA A 154 ? 2.2391 1.0588 0.6983 -0.1677 -0.0228 -0.0148 150 ALA L C 1120 O O . ALA A 154 ? 2.2692 1.0607 0.7015 -0.1592 -0.0296 -0.0184 150 ALA L O 1121 C CB . ALA A 154 ? 2.1342 0.9752 0.6161 -0.1511 -0.0210 -0.0216 150 ALA L CB 1122 N N . ASP A 155 ? 2.2227 1.0477 0.6857 -0.1807 -0.0206 -0.0094 151 ASP L N 1123 C CA . ASP A 155 ? 2.2547 1.0570 0.6943 -0.1875 -0.0243 -0.0066 151 ASP L CA 1124 C C . ASP A 155 ? 2.3348 1.1358 0.7713 -0.1745 -0.0204 -0.0128 151 ASP L C 1125 O O . ASP A 155 ? 2.3210 1.1447 0.7775 -0.1757 -0.0127 -0.0128 151 ASP L O 1126 C CB . ASP A 155 ? 2.3134 1.0798 0.7188 -0.1952 -0.0353 -0.0031 151 ASP L CB 1127 C CG . ASP A 155 ? 2.4701 1.2028 0.8443 -0.1823 -0.0426 -0.0085 151 ASP L CG 1128 O OD1 . ASP A 155 ? 2.4996 1.2120 0.8531 -0.1812 -0.0451 -0.0092 151 ASP L OD1 1129 O OD2 . ASP A 155 ? 2.5285 1.2544 0.8981 -0.1730 -0.0462 -0.0121 151 ASP L OD2 1130 N N . SER A 156 ? 2.3135 1.0900 0.7259 -0.1613 -0.0257 -0.0186 152 SER L N 1131 C CA . SER A 156 ? 2.3121 1.0866 0.7186 -0.1470 -0.0230 -0.0257 152 SER L CA 1132 C C . SER A 156 ? 2.3278 1.1157 0.7446 -0.1290 -0.0206 -0.0342 152 SER L C 1133 O O . SER A 156 ? 2.3103 1.1193 0.7416 -0.1194 -0.0135 -0.0398 152 SER L O 1134 C CB . SER A 156 ? 2.3949 1.1304 0.7637 -0.1451 -0.0318 -0.0265 152 SER L CB 1135 O OG . SER A 156 ? 2.5416 1.2487 0.8861 -0.1417 -0.0417 -0.0272 152 SER L OG 1136 N N . SER A 157 ? 2.2737 1.0510 0.6835 -0.1254 -0.0265 -0.0350 153 SER L N 1137 C CA . SER A 157 ? 2.2693 1.0582 0.6880 -0.1087 -0.0253 -0.0427 153 SER L CA 1138 C C . SER A 157 ? 2.2531 1.0851 0.7110 -0.1097 -0.0143 -0.0430 153 SER L C 1139 O O . SER A 157 ? 2.2234 1.0682 0.6980 -0.1220 -0.0125 -0.0367 153 SER L O 1140 C CB . SER A 157 ? 2.3523 1.1201 0.7557 -0.1084 -0.0342 -0.0417 153 SER L CB 1141 O OG . SER A 157 ? 2.5166 1.2432 0.8830 -0.1122 -0.0450 -0.0394 153 SER L OG 1142 N N . PRO A 158 ? 2.1828 1.0378 0.6550 -0.0981 -0.0070 -0.0499 154 PRO L N 1143 C CA . PRO A 158 ? 2.1381 1.0317 0.6451 -0.1011 0.0029 -0.0494 154 PRO L CA 1144 C C . PRO A 158 ? 2.1563 1.0640 0.6784 -0.0958 0.0033 -0.0513 154 PRO L C 1145 O O . PRO A 158 ? 2.1814 1.0733 0.6883 -0.0845 -0.0028 -0.0560 154 PRO L O 1146 C CB . PRO A 158 ? 2.1596 1.0700 0.6716 -0.0902 0.0092 -0.0567 154 PRO L CB 1147 C CG . PRO A 158 ? 2.2469 1.1330 0.7313 -0.0744 0.0023 -0.0643 154 PRO L CG 1148 C CD . PRO A 158 ? 2.2178 1.0655 0.6746 -0.0824 -0.0076 -0.0585 154 PRO L CD 1149 N N . VAL A 159 ? 2.0601 0.9964 0.6111 -0.1036 0.0100 -0.0478 155 VAL L N 1150 C CA . VAL A 159 ? 2.0421 0.9946 0.6102 -0.0997 0.0112 -0.0492 155 VAL L CA 1151 C C . VAL A 159 ? 2.0920 1.0808 0.6880 -0.0961 0.0208 -0.0527 155 VAL L C 1152 O O . VAL A 159 ? 2.0718 1.0752 0.6798 -0.1043 0.0266 -0.0499 155 VAL L O 1153 C CB . VAL A 159 ? 2.0715 1.0211 0.6458 -0.1132 0.0081 -0.0413 155 VAL L CB 1154 C CG1 . VAL A 159 ? 2.0695 1.0223 0.6488 -0.1059 0.0056 -0.0440 155 VAL L CG1 1155 C CG2 . VAL A 159 ? 2.0833 1.0024 0.6330 -0.1238 0.0004 -0.0355 155 VAL L CG2 1156 N N . LYS A 160 ? 2.0601 1.0630 0.6657 -0.0846 0.0221 -0.0585 156 LYS L N 1157 C CA . LYS A 160 ? 2.0356 1.0736 0.6670 -0.0810 0.0306 -0.0622 156 LYS L CA 1158 C C . LYS A 160 ? 2.0663 1.1177 0.7160 -0.0826 0.0311 -0.0603 156 LYS L C 1159 O O . LYS A 160 ? 2.0482 1.1282 0.7204 -0.0818 0.0376 -0.0620 156 LYS L O 1160 C CB . LYS A 160 ? 2.0757 1.1226 0.7017 -0.0639 0.0326 -0.0726 156 LYS L CB 1161 C CG . LYS A 160 ? 2.2211 1.2696 0.8397 -0.0639 0.0360 -0.0748 156 LYS L CG 1162 C CD . LYS A 160 ? 2.2555 1.3145 0.8677 -0.0462 0.0376 -0.0860 156 LYS L CD 1163 C CE . LYS A 160 ? 2.1801 1.2378 0.7820 -0.0461 0.0400 -0.0882 156 LYS L CE 1164 N NZ . LYS A 160 ? 2.1928 1.2599 0.7862 -0.0279 0.0405 -0.0998 156 LYS L NZ 1165 N N . ALA A 161 ? 2.0180 1.0488 0.6575 -0.0859 0.0240 -0.0565 157 ALA L N 1166 C CA . ALA A 161 ? 1.9979 1.0395 0.6528 -0.0877 0.0238 -0.0546 157 ALA L CA 1167 C C . ALA A 161 ? 2.0202 1.0671 0.6880 -0.1043 0.0247 -0.0458 157 ALA L C 1168 O O . ALA A 161 ? 2.0388 1.0690 0.6945 -0.1143 0.0214 -0.0405 157 ALA L O 1169 C CB . ALA A 161 ? 2.0302 1.0477 0.6659 -0.0804 0.0153 -0.0565 157 ALA L CB 1170 N N . GLY A 162 ? 1.9268 0.9975 0.6186 -0.1066 0.0289 -0.0448 158 GLY L N 1171 C CA . GLY A 162 ? 1.8927 0.9729 0.5997 -0.1204 0.0299 -0.0376 158 GLY L CA 1172 C C . GLY A 162 ? 1.9073 0.9989 0.6236 -0.1289 0.0349 -0.0346 158 GLY L C 1173 O O . GLY A 162 ? 1.8921 0.9865 0.6157 -0.1404 0.0342 -0.0286 158 GLY L O 1174 N N . VAL A 163 ? 1.8455 0.9444 0.5612 -0.1234 0.0395 -0.0389 159 VAL L N 1175 C CA . VAL A 163 ? 1.8325 0.9413 0.5552 -0.1312 0.0441 -0.0365 159 VAL L CA 1176 C C . VAL A 163 ? 1.8590 0.9960 0.6054 -0.1329 0.0506 -0.0370 159 VAL L C 1177 O O . VAL A 163 ? 1.8632 1.0155 0.6169 -0.1244 0.0543 -0.0425 159 VAL L O 1178 C CB . VAL A 163 ? 1.9064 1.0047 0.6124 -0.1278 0.0450 -0.0395 159 VAL L CB 1179 C CG1 . VAL A 163 ? 1.9295 0.9982 0.6117 -0.1301 0.0382 -0.0369 159 VAL L CG1 1180 C CG2 . VAL A 163 ? 1.9124 1.0199 0.6164 -0.1137 0.0480 -0.0480 159 VAL L CG2 1181 N N . GLU A 164 ? 1.7813 0.9248 0.5386 -0.1441 0.0514 -0.0314 160 GLU L N 1182 C CA . GLU A 164 ? 1.7463 0.9124 0.5232 -0.1478 0.0563 -0.0309 160 GLU L CA 1183 C C . GLU A 164 ? 1.7611 0.9264 0.5367 -0.1572 0.0578 -0.0273 160 GLU L C 1184 O O . GLU A 164 ? 1.7645 0.9149 0.5310 -0.1634 0.0541 -0.0232 160 GLU L O 1185 C CB . GLU A 164 ? 1.7399 0.9136 0.5314 -0.1514 0.0544 -0.0276 160 GLU L CB 1186 N N . THR A 165 ? 1.6844 0.8650 0.4675 -0.1585 0.0631 -0.0291 161 THR L N 1187 C CA . THR A 165 ? 1.6765 0.8555 0.4574 -0.1675 0.0642 -0.0257 161 THR L CA 1188 C C . THR A 165 ? 1.7030 0.9002 0.4993 -0.1732 0.0675 -0.0246 161 THR L C 1189 O O . THR A 165 ? 1.6944 0.9080 0.4973 -0.1695 0.0720 -0.0286 161 THR L O 1190 C CB . THR A 165 ? 1.7635 0.9353 0.5290 -0.1648 0.0663 -0.0288 161 THR L CB 1191 O OG1 . THR A 165 ? 1.7627 0.9157 0.5124 -0.1586 0.0624 -0.0303 161 THR L OG1 1192 C CG2 . THR A 165 ? 1.7137 0.8802 0.4748 -0.1747 0.0666 -0.0248 161 THR L CG2 1193 N N . THR A 166 ? 1.6391 0.8334 0.4400 -0.1822 0.0647 -0.0192 162 THR L N 1194 C CA . THR A 166 ? 1.6152 0.8221 0.4279 -0.1886 0.0661 -0.0173 162 THR L CA 1195 C C . THR A 166 ? 1.6940 0.9058 0.5015 -0.1928 0.0705 -0.0185 162 THR L C 1196 O O . THR A 166 ? 1.7001 0.9047 0.4953 -0.1912 0.0719 -0.0203 162 THR L O 1197 C CB . THR A 166 ? 1.6036 0.8036 0.4196 -0.1959 0.0608 -0.0118 162 THR L CB 1198 O OG1 . THR A 166 ? 1.6143 0.8007 0.4184 -0.2011 0.0589 -0.0092 162 THR L OG1 1199 C CG2 . THR A 166 ? 1.5103 0.7085 0.3324 -0.1931 0.0565 -0.0106 162 THR L CG2 1200 N N . THR A 167 ? 1.6567 0.8805 0.4726 -0.1985 0.0722 -0.0176 163 THR L N 1201 C CA . THR A 167 ? 1.6572 0.8861 0.4677 -0.2048 0.0759 -0.0181 163 THR L CA 1202 C C . THR A 167 ? 1.7131 0.9278 0.5180 -0.2137 0.0716 -0.0127 163 THR L C 1203 O O . THR A 167 ? 1.6908 0.9005 0.5015 -0.2156 0.0667 -0.0093 163 THR L O 1204 C CB . THR A 167 ? 1.7290 0.9771 0.5495 -0.2080 0.0794 -0.0195 163 THR L CB 1205 O OG1 . THR A 167 ? 1.7752 1.0209 0.6032 -0.2137 0.0752 -0.0152 163 THR L OG1 1206 C CG2 . THR A 167 ? 1.6699 0.9339 0.4981 -0.1985 0.0831 -0.0250 163 THR L CG2 1207 N N . PRO A 168 ? 1.6971 0.9056 0.4905 -0.2188 0.0730 -0.0122 164 PRO L N 1208 C CA . PRO A 168 ? 1.6957 0.8906 0.4831 -0.2273 0.0685 -0.0072 164 PRO L CA 1209 C C . PRO A 168 ? 1.7144 0.9131 0.5087 -0.2343 0.0659 -0.0044 164 PRO L C 1210 O O . PRO A 168 ? 1.6943 0.9063 0.4932 -0.2368 0.0694 -0.0059 164 PRO L O 1211 C CB . PRO A 168 ? 1.7308 0.9225 0.5055 -0.2316 0.0719 -0.0081 164 PRO L CB 1212 C CG . PRO A 168 ? 1.7926 0.9920 0.5649 -0.2229 0.0769 -0.0136 164 PRO L CG 1213 C CD . PRO A 168 ? 1.7288 0.9436 0.5141 -0.2171 0.0786 -0.0164 164 PRO L CD 1214 N N . SER A 169 ? 1.6594 0.8471 0.4544 -0.2367 0.0594 -0.0005 165 SER L N 1215 C CA . SER A 169 ? 1.6405 0.8274 0.4395 -0.2424 0.0550 0.0023 165 SER L CA 1216 C C . SER A 169 ? 1.6752 0.8468 0.4625 -0.2499 0.0506 0.0057 165 SER L C 1217 O O . SER A 169 ? 1.6804 0.8413 0.4628 -0.2484 0.0472 0.0071 165 SER L O 1218 C CB . SER A 169 ? 1.6601 0.8487 0.4702 -0.2372 0.0503 0.0029 165 SER L CB 1219 O OG . SER A 169 ? 1.7539 0.9384 0.5654 -0.2418 0.0447 0.0054 165 SER L OG 1220 N N . LYS A 170 ? 1.6134 0.7842 0.3954 -0.2583 0.0505 0.0071 166 LYS L N 1221 C CA . LYS A 170 ? 1.6168 0.7728 0.3867 -0.2662 0.0459 0.0104 166 LYS L CA 1222 C C . LYS A 170 ? 1.6672 0.8123 0.4387 -0.2640 0.0372 0.0127 166 LYS L C 1223 O O . LYS A 170 ? 1.6688 0.8163 0.4475 -0.2626 0.0330 0.0130 166 LYS L O 1224 C CB . LYS A 170 ? 1.6442 0.8020 0.4086 -0.2762 0.0465 0.0115 166 LYS L CB 1225 C CG . LYS A 170 ? 1.6978 0.8390 0.4467 -0.2857 0.0421 0.0148 166 LYS L CG 1226 C CD . LYS A 170 ? 1.7105 0.8515 0.4519 -0.2971 0.0416 0.0163 166 LYS L CD 1227 C CE . LYS A 170 ? 1.6840 0.8400 0.4225 -0.3028 0.0505 0.0141 166 LYS L CE 1228 N NZ . LYS A 170 ? 1.6655 0.8170 0.3932 -0.3057 0.0538 0.0139 166 LYS L NZ 1229 N N . GLN A 171 ? 1.6030 0.7371 0.3677 -0.2632 0.0343 0.0139 167 GLN L N 1230 C CA . GLN A 171 ? 1.5852 0.7102 0.3499 -0.2612 0.0258 0.0156 167 GLN L CA 1231 C C . GLN A 171 ? 1.6374 0.7492 0.3918 -0.2681 0.0192 0.0181 167 GLN L C 1232 O O . GLN A 171 ? 1.6251 0.7346 0.3720 -0.2757 0.0216 0.0189 167 GLN L O 1233 C CB . GLN A 171 ? 1.5958 0.7155 0.3564 -0.2585 0.0254 0.0158 167 GLN L CB 1234 C CG . GLN A 171 ? 1.6715 0.8008 0.4408 -0.2514 0.0290 0.0137 167 GLN L CG 1235 C CD . GLN A 171 ? 1.7873 0.9258 0.5697 -0.2462 0.0258 0.0129 167 GLN L CD 1236 O OE1 . GLN A 171 ? 1.6789 0.8152 0.4636 -0.2449 0.0188 0.0137 167 GLN L OE1 1237 N NE2 . GLN A 171 ? 1.6735 0.8233 0.4647 -0.2430 0.0306 0.0109 167 GLN L NE2 1238 N N . SER A 172 ? 1.6076 0.7113 0.3610 -0.2656 0.0105 0.0190 168 SER L N 1239 C CA . SER A 172 ? 1.6270 0.7158 0.3694 -0.2704 0.0026 0.0209 168 SER L CA 1240 C C . SER A 172 ? 1.7057 0.7813 0.4322 -0.2784 0.0033 0.0230 168 SER L C 1241 O O . SER A 172 ? 1.7314 0.7956 0.4466 -0.2857 -0.0004 0.0248 168 SER L O 1242 C CB . SER A 172 ? 1.6845 0.7697 0.4298 -0.2639 -0.0070 0.0204 168 SER L CB 1243 O OG . SER A 172 ? 1.8921 0.9733 0.6332 -0.2623 -0.0087 0.0206 168 SER L OG 1244 N N . ASN A 173 ? 1.6432 0.7197 0.3677 -0.2775 0.0078 0.0227 170 ASN L N 1245 C CA . ASN A 173 ? 1.6375 0.7029 0.3476 -0.2845 0.0094 0.0244 170 ASN L CA 1246 C C . ASN A 173 ? 1.6859 0.7580 0.3931 -0.2904 0.0186 0.0239 170 ASN L C 1247 O O . ASN A 173 ? 1.7034 0.7704 0.4006 -0.2952 0.0220 0.0245 170 ASN L O 1248 C CB . ASN A 173 ? 1.6000 0.6637 0.3090 -0.2807 0.0101 0.0242 170 ASN L CB 1249 C CG . ASN A 173 ? 1.6689 0.7445 0.3853 -0.2764 0.0182 0.0222 170 ASN L CG 1250 O OD1 . ASN A 173 ? 1.5322 0.6200 0.2578 -0.2738 0.0231 0.0204 170 ASN L OD1 1251 N ND2 . ASN A 173 ? 1.4871 0.5586 0.1986 -0.2752 0.0193 0.0224 170 ASN L ND2 1252 N N . ASN A 174 ? 1.6379 0.7235 0.3547 -0.2892 0.0228 0.0222 171 ASN L N 1253 C CA . ASN A 174 ? 1.6365 0.7338 0.3533 -0.2935 0.0314 0.0207 171 ASN L CA 1254 C C . ASN A 174 ? 1.6843 0.7910 0.4038 -0.2887 0.0394 0.0180 171 ASN L C 1255 O O . ASN A 174 ? 1.6835 0.8021 0.4034 -0.2906 0.0466 0.0158 171 ASN L O 1256 C CB . ASN A 174 ? 1.6386 0.7286 0.3414 -0.3059 0.0309 0.0228 171 ASN L CB 1257 C CG . ASN A 174 ? 1.8252 0.9006 0.5216 -0.3102 0.0212 0.0256 171 ASN L CG 1258 O OD1 . ASN A 174 ? 1.7326 0.7910 0.4154 -0.3156 0.0156 0.0281 171 ASN L OD1 1259 N ND2 . ASN A 174 ? 1.6981 0.7784 0.4039 -0.3065 0.0180 0.0251 171 ASN L ND2 1260 N N . LYS A 175 ? 1.6442 0.7463 0.3651 -0.2821 0.0379 0.0179 172 LYS L N 1261 C CA . LYS A 175 ? 1.6491 0.7572 0.3711 -0.2766 0.0441 0.0153 172 LYS L CA 1262 C C . LYS A 175 ? 1.7011 0.8228 0.4373 -0.2683 0.0464 0.0126 172 LYS L C 1263 O O . LYS A 175 ? 1.7014 0.8262 0.4466 -0.2667 0.0424 0.0133 172 LYS L O 1264 C CB . LYS A 175 ? 1.6793 0.7751 0.3943 -0.2747 0.0412 0.0166 172 LYS L CB 1265 C CG . LYS A 175 ? 1.7497 0.8324 0.4500 -0.2824 0.0400 0.0188 172 LYS L CG 1266 C CD . LYS A 175 ? 1.8106 0.8823 0.5043 -0.2804 0.0373 0.0199 172 LYS L CD 1267 C CE . LYS A 175 ? 1.7825 0.8398 0.4628 -0.2876 0.0338 0.0226 172 LYS L CE 1268 N NZ . LYS A 175 ? 1.8423 0.8922 0.5225 -0.2902 0.0254 0.0250 172 LYS L NZ 1269 N N . TYR A 176 ? 1.6403 0.7698 0.3779 -0.2629 0.0525 0.0094 173 TYR L N 1270 C CA . TYR A 176 ? 1.6210 0.7628 0.3710 -0.2552 0.0545 0.0068 173 TYR L CA 1271 C C . TYR A 176 ? 1.6486 0.7857 0.4012 -0.2484 0.0518 0.0068 173 TYR L C 1272 O O . TYR A 176 ? 1.6672 0.7930 0.4109 -0.2488 0.0500 0.0080 173 TYR L O 1273 C CB . TYR A 176 ? 1.6385 0.7942 0.3896 -0.2527 0.0622 0.0025 173 TYR L CB 1274 C CG . TYR A 176 ? 1.6633 0.8279 0.4142 -0.2606 0.0646 0.0026 173 TYR L CG 1275 C CD1 . TYR A 176 ? 1.6840 0.8592 0.4454 -0.2612 0.0642 0.0024 173 TYR L CD1 1276 C CD2 . TYR A 176 ? 1.6815 0.8429 0.4208 -0.2687 0.0667 0.0032 173 TYR L CD2 1277 C CE1 . TYR A 176 ? 1.6837 0.8659 0.4431 -0.2701 0.0658 0.0030 173 TYR L CE1 1278 C CE2 . TYR A 176 ? 1.6989 0.8680 0.4362 -0.2778 0.0685 0.0037 173 TYR L CE2 1279 C CZ . TYR A 176 ? 1.7363 0.9154 0.4833 -0.2788 0.0679 0.0037 173 TYR L CZ 1280 O OH . TYR A 176 ? 1.7178 0.9038 0.4611 -0.2893 0.0692 0.0045 173 TYR L OH 1281 N N . ALA A 177 ? 1.5630 0.7086 0.3275 -0.2429 0.0509 0.0057 174 ALA L N 1282 C CA . ALA A 177 ? 1.5467 0.6895 0.3138 -0.2372 0.0483 0.0057 174 ALA L CA 1283 C C . ALA A 177 ? 1.5645 0.7189 0.3410 -0.2301 0.0516 0.0024 174 ALA L C 1284 O O . ALA A 177 ? 1.5743 0.7400 0.3601 -0.2300 0.0532 0.0014 174 ALA L O 1285 C CB . ALA A 177 ? 1.5511 0.6911 0.3232 -0.2387 0.0412 0.0084 174 ALA L CB 1286 N N . ALA A 178 ? 1.4746 0.6252 0.2470 -0.2245 0.0525 0.0008 175 ALA L N 1287 C CA . ALA A 178 ? 1.4589 0.6179 0.2377 -0.2169 0.0550 -0.0026 175 ALA L CA 1288 C C . ALA A 178 ? 1.5543 0.7059 0.3309 -0.2133 0.0512 -0.0019 175 ALA L C 1289 O O . ALA A 178 ? 1.5677 0.7093 0.3382 -0.2174 0.0469 0.0011 175 ALA L O 1290 C CB . ALA A 178 ? 1.4687 0.6311 0.2411 -0.2129 0.0608 -0.0067 175 ALA L CB 1291 N N . SER A 179 ? 1.5280 0.6847 0.3092 -0.2064 0.0523 -0.0046 176 SER L N 1292 C CA . SER A 179 ? 1.5421 0.6912 0.3197 -0.2040 0.0485 -0.0039 176 SER L CA 1293 C C . SER A 179 ? 1.5995 0.7475 0.3731 -0.1955 0.0506 -0.0080 176 SER L C 1294 O O . SER A 179 ? 1.5863 0.7468 0.3693 -0.1904 0.0539 -0.0111 176 SER L O 1295 C CB . SER A 179 ? 1.6042 0.7609 0.3944 -0.2056 0.0446 -0.0018 176 SER L CB 1296 O OG . SER A 179 ? 1.7898 0.9556 0.5905 -0.2093 0.0441 -0.0004 176 SER L OG 1297 N N . SER A 180 ? 1.5632 0.6956 0.3218 -0.1939 0.0482 -0.0081 177 SER L N 1298 C CA . SER A 180 ? 1.5629 0.6909 0.3151 -0.1851 0.0485 -0.0120 177 SER L CA 1299 C C . SER A 180 ? 1.6450 0.7656 0.3948 -0.1856 0.0434 -0.0101 177 SER L C 1300 O O . SER A 180 ? 1.6560 0.7668 0.3986 -0.1924 0.0391 -0.0062 177 SER L O 1301 C CB . SER A 180 ? 1.5892 0.7037 0.3235 -0.1814 0.0495 -0.0147 177 SER L CB 1302 O OG . SER A 180 ? 1.6558 0.7743 0.3890 -0.1708 0.0518 -0.0204 177 SER L OG 1303 N N . TYR A 181 ? 1.6002 0.7269 0.3562 -0.1789 0.0437 -0.0128 178 TYR L N 1304 C CA . TYR A 181 ? 1.5912 0.7123 0.3455 -0.1791 0.0390 -0.0115 178 TYR L CA 1305 C C . TYR A 181 ? 1.6854 0.7925 0.4244 -0.1706 0.0375 -0.0152 178 TYR L C 1306 O O . TYR A 181 ? 1.7089 0.8219 0.4498 -0.1615 0.0411 -0.0202 178 TYR L O 1307 C CB . TYR A 181 ? 1.5729 0.7124 0.3473 -0.1781 0.0400 -0.0115 178 TYR L CB 1308 C CG . TYR A 181 ? 1.5796 0.7332 0.3690 -0.1844 0.0411 -0.0088 178 TYR L CG 1309 C CD1 . TYR A 181 ? 1.5933 0.7500 0.3882 -0.1911 0.0371 -0.0051 178 TYR L CD1 1310 C CD2 . TYR A 181 ? 1.5787 0.7428 0.3760 -0.1837 0.0458 -0.0103 178 TYR L CD2 1311 C CE1 . TYR A 181 ? 1.5677 0.7360 0.3751 -0.1954 0.0371 -0.0032 178 TYR L CE1 1312 C CE2 . TYR A 181 ? 1.5705 0.7444 0.3791 -0.1894 0.0458 -0.0078 178 TYR L CE2 1313 C CZ . TYR A 181 ? 1.6147 0.7899 0.4281 -0.1945 0.0412 -0.0044 178 TYR L CZ 1314 O OH . TYR A 181 ? 1.6038 0.7870 0.4266 -0.1989 0.0402 -0.0025 178 TYR L OH 1315 N N . LEU A 182 ? 1.6297 0.7176 0.3519 -0.1737 0.0318 -0.0130 179 LEU L N 1316 C CA . LEU A 182 ? 1.6305 0.7006 0.3351 -0.1665 0.0282 -0.0160 179 LEU L CA 1317 C C . LEU A 182 ? 1.6716 0.7426 0.3801 -0.1701 0.0241 -0.0135 179 LEU L C 1318 O O . LEU A 182 ? 1.6586 0.7244 0.3627 -0.1803 0.0203 -0.0087 179 LEU L O 1319 C CB . LEU A 182 ? 1.6524 0.6974 0.3317 -0.1692 0.0242 -0.0148 179 LEU L CB 1320 C CG . LEU A 182 ? 1.7136 0.7335 0.3692 -0.1638 0.0179 -0.0167 179 LEU L CG 1321 C CD1 . LEU A 182 ? 1.7169 0.7348 0.3674 -0.1486 0.0197 -0.0241 179 LEU L CD1 1322 C CD2 . LEU A 182 ? 1.7210 0.7166 0.3527 -0.1710 0.0129 -0.0135 179 LEU L CD2 1323 N N . SER A 183 ? 1.6385 0.7197 0.3577 -0.1623 0.0255 -0.0168 180 SER L N 1324 C CA . SER A 183 ? 1.6425 0.7261 0.3666 -0.1649 0.0220 -0.0150 180 SER L CA 1325 C C . SER A 183 ? 1.7409 0.7997 0.4416 -0.1624 0.0154 -0.0157 180 SER L C 1326 O O . SER A 183 ? 1.7497 0.7991 0.4407 -0.1512 0.0149 -0.0207 180 SER L O 1327 C CB . SER A 183 ? 1.6674 0.7733 0.4140 -0.1589 0.0262 -0.0176 180 SER L CB 1328 O OG . SER A 183 ? 1.7418 0.8680 0.5079 -0.1633 0.0306 -0.0160 180 SER L OG 1329 N N . LEU A 184 ? 1.7291 0.7769 0.4191 -0.1730 0.0098 -0.0109 181 LEU L N 1330 C CA . LEU A 184 ? 1.7748 0.7965 0.4397 -0.1738 0.0024 -0.0104 181 LEU L CA 1331 C C . LEU A 184 ? 1.8668 0.8922 0.5349 -0.1815 -0.0015 -0.0071 181 LEU L C 1332 O O . LEU A 184 ? 1.8358 0.8837 0.5245 -0.1875 0.0011 -0.0048 181 LEU L O 1333 C CB . LEU A 184 ? 1.7992 0.8010 0.4426 -0.1824 -0.0013 -0.0070 181 LEU L CB 1334 C CG . LEU A 184 ? 1.8973 0.8747 0.5173 -0.1744 -0.0033 -0.0104 181 LEU L CG 1335 C CD1 . LEU A 184 ? 1.8946 0.8844 0.5264 -0.1612 0.0033 -0.0164 181 LEU L CD1 1336 C CD2 . LEU A 184 ? 1.9424 0.9063 0.5470 -0.1845 -0.0056 -0.0064 181 LEU L CD2 1337 N N . THR A 185 ? 1.8845 0.8871 0.5308 -0.1812 -0.0084 -0.0072 182 THR L N 1338 C CA . THR A 185 ? 1.8958 0.8989 0.5407 -0.1902 -0.0130 -0.0038 182 THR L CA 1339 C C . THR A 185 ? 1.9876 0.9808 0.6169 -0.2064 -0.0177 0.0021 182 THR L C 1340 O O . THR A 185 ? 2.0089 0.9848 0.6209 -0.2079 -0.0192 0.0027 182 THR L O 1341 C CB . THR A 185 ? 1.9773 0.9595 0.6046 -0.1835 -0.0190 -0.0063 182 THR L CB 1342 O OG1 . THR A 185 ? 1.9853 0.9328 0.5785 -0.1854 -0.0265 -0.0056 182 THR L OG1 1343 C CG2 . THR A 185 ? 1.9052 0.8973 0.5464 -0.1668 -0.0148 -0.0126 182 THR L CG2 1344 N N . PRO A 186 ? 1.9426 0.9468 0.5766 -0.2189 -0.0202 0.0062 183 PRO L N 1345 C CA . PRO A 186 ? 1.9509 0.9482 0.5698 -0.2349 -0.0245 0.0114 183 PRO L CA 1346 C C . PRO A 186 ? 2.0232 0.9838 0.6054 -0.2396 -0.0324 0.0131 183 PRO L C 1347 O O . PRO A 186 ? 2.0166 0.9686 0.5848 -0.2502 -0.0348 0.0166 183 PRO L O 1348 C CB . PRO A 186 ? 1.9578 0.9770 0.5901 -0.2453 -0.0255 0.0142 183 PRO L CB 1349 C CG . PRO A 186 ? 1.9870 1.0298 0.6480 -0.2343 -0.0197 0.0106 183 PRO L CG 1350 C CD . PRO A 186 ? 1.9425 0.9680 0.5963 -0.2194 -0.0189 0.0061 183 PRO L CD 1351 N N . GLU A 187 ? 2.0022 0.9400 0.5675 -0.2314 -0.0368 0.0104 184 GLU L N 1352 C CA . GLU A 187 ? 2.0448 0.9437 0.5723 -0.2346 -0.0455 0.0115 184 GLU L CA 1353 C C . GLU A 187 ? 2.0904 0.9743 0.6085 -0.2240 -0.0438 0.0082 184 GLU L C 1354 O O . GLU A 187 ? 2.1166 0.9755 0.6082 -0.2305 -0.0490 0.0105 184 GLU L O 1355 C CB . GLU A 187 ? 2.0881 0.9650 0.5980 -0.2289 -0.0521 0.0095 184 GLU L CB 1356 C CG . GLU A 187 ? 2.2483 1.1438 0.7737 -0.2331 -0.0519 0.0106 184 GLU L CG 1357 C CD . GLU A 187 ? 2.5883 1.4847 1.1229 -0.2158 -0.0505 0.0049 184 GLU L CD 1358 O OE1 . GLU A 187 ? 2.5745 1.4405 1.0832 -0.2100 -0.0578 0.0029 184 GLU L OE1 1359 O OE2 . GLU A 187 ? 2.4841 1.4106 1.0504 -0.2078 -0.0424 0.0021 184 GLU L OE2 1360 N N . GLN A 188 ? 2.0020 0.9016 0.5412 -0.2080 -0.0367 0.0027 185 GLN L N 1361 C CA . GLN A 188 ? 1.9918 0.8838 0.5268 -0.1969 -0.0337 -0.0013 185 GLN L CA 1362 C C . GLN A 188 ? 2.0201 0.9156 0.5544 -0.2081 -0.0319 0.0029 185 GLN L C 1363 O O . GLN A 188 ? 2.0324 0.9031 0.5424 -0.2089 -0.0357 0.0032 185 GLN L O 1364 C CB . GLN A 188 ? 1.9747 0.8927 0.5383 -0.1822 -0.0250 -0.0069 185 GLN L CB 1365 C CG . GLN A 188 ? 1.8728 0.7776 0.4269 -0.1642 -0.0263 -0.0140 185 GLN L CG 1366 C CD . GLN A 188 ? 1.8250 0.7600 0.4091 -0.1526 -0.0175 -0.0189 185 GLN L CD 1367 O OE1 . GLN A 188 ? 1.7103 0.6663 0.3156 -0.1529 -0.0146 -0.0186 185 GLN L OE1 1368 N NE2 . GLN A 188 ? 1.6111 0.5494 0.1970 -0.1425 -0.0132 -0.0235 185 GLN L NE2 1369 N N . TRP A 189 ? 1.9505 0.8755 0.5097 -0.2171 -0.0269 0.0061 186 TRP L N 1370 C CA . TRP A 189 ? 1.9496 0.8828 0.5120 -0.2281 -0.0250 0.0100 186 TRP L CA 1371 C C . TRP A 189 ? 2.0394 0.9506 0.5739 -0.2434 -0.0328 0.0152 186 TRP L C 1372 O O . TRP A 189 ? 2.0593 0.9578 0.5799 -0.2472 -0.0337 0.0167 186 TRP L O 1373 C CB . TRP A 189 ? 1.8993 0.8687 0.4939 -0.2329 -0.0193 0.0116 186 TRP L CB 1374 C CG . TRP A 189 ? 1.9035 0.8823 0.4991 -0.2474 -0.0201 0.0164 186 TRP L CG 1375 C CD1 . TRP A 189 ? 1.9364 0.9240 0.5310 -0.2614 -0.0238 0.0205 186 TRP L CD1 1376 C CD2 . TRP A 189 ? 1.8969 0.8787 0.4946 -0.2493 -0.0171 0.0172 186 TRP L CD2 1377 N NE1 . TRP A 189 ? 1.9226 0.9193 0.5189 -0.2712 -0.0234 0.0235 186 TRP L NE1 1378 C CE2 . TRP A 189 ? 1.9420 0.9345 0.5402 -0.2640 -0.0194 0.0217 186 TRP L CE2 1379 C CE3 . TRP A 189 ? 1.9084 0.8858 0.5074 -0.2402 -0.0127 0.0144 186 TRP L CE3 1380 C CZ2 . TRP A 189 ? 1.9264 0.9237 0.5260 -0.2692 -0.0178 0.0235 186 TRP L CZ2 1381 C CZ3 . TRP A 189 ? 1.9190 0.9000 0.5186 -0.2461 -0.0111 0.0166 186 TRP L CZ3 1382 C CH2 . TRP A 189 ? 1.9220 0.9121 0.5218 -0.2602 -0.0138 0.0211 186 TRP L CH2 1383 N N . LYS A 190 ? 1.9975 0.9052 0.5236 -0.2528 -0.0383 0.0181 187 LYS L N 1384 C CA . LYS A 190 ? 2.0149 0.9041 0.5143 -0.2696 -0.0460 0.0234 187 LYS L CA 1385 C C . LYS A 190 ? 2.0794 0.9281 0.5431 -0.2674 -0.0525 0.0230 187 LYS L C 1386 O O . LYS A 190 ? 2.0772 0.9123 0.5216 -0.2794 -0.0564 0.0270 187 LYS L O 1387 C CB . LYS A 190 ? 2.0537 0.9481 0.5512 -0.2800 -0.0505 0.0262 187 LYS L CB 1388 C CG . LYS A 190 ? 2.2501 1.1814 0.7726 -0.2914 -0.0469 0.0290 187 LYS L CG 1389 C CD . LYS A 190 ? 2.4458 1.3804 0.9589 -0.3080 -0.0490 0.0337 187 LYS L CD 1390 C CE . LYS A 190 ? 2.6324 1.6049 1.1696 -0.3178 -0.0461 0.0355 187 LYS L CE 1391 N NZ . LYS A 190 ? 2.7807 1.7595 1.3122 -0.3307 -0.0470 0.0389 187 LYS L NZ 1392 N N . SER A 191 ? 2.0493 0.8800 0.5048 -0.2511 -0.0537 0.0178 188 SER L N 1393 C CA . SER A 191 ? 2.0848 0.8760 0.5061 -0.2448 -0.0605 0.0158 188 SER L CA 1394 C C . SER A 191 ? 2.1287 0.9125 0.5437 -0.2426 -0.0581 0.0153 188 SER L C 1395 O O . SER A 191 ? 2.1292 0.8930 0.5201 -0.2549 -0.0636 0.0196 188 SER L O 1396 C CB . SER A 191 ? 2.1381 0.9176 0.5560 -0.2261 -0.0619 0.0093 188 SER L CB 1397 O OG . SER A 191 ? 2.2392 1.0382 0.6808 -0.2097 -0.0534 0.0034 188 SER L OG 1398 N N . HIS A 192 ? 2.0733 0.8738 0.5093 -0.2281 -0.0501 0.0102 189 HIS L N 1399 C CA . HIS A 192 ? 2.0787 0.8745 0.5107 -0.2248 -0.0471 0.0091 189 HIS L CA 1400 C C . HIS A 192 ? 2.1241 0.9296 0.5591 -0.2418 -0.0458 0.0153 189 HIS L C 1401 O O . HIS A 192 ? 2.1108 0.9472 0.5722 -0.2486 -0.0405 0.0176 189 HIS L O 1402 C CB . HIS A 192 ? 2.0635 0.8822 0.5216 -0.2087 -0.0379 0.0030 189 HIS L CB 1403 C CG . HIS A 192 ? 2.1123 0.9235 0.5674 -0.1905 -0.0386 -0.0041 189 HIS L CG 1404 N ND1 . HIS A 192 ? 2.1085 0.9425 0.5873 -0.1835 -0.0346 -0.0068 189 HIS L ND1 1405 C CD2 . HIS A 192 ? 2.1603 0.9460 0.5924 -0.1773 -0.0427 -0.0095 189 HIS L CD2 1406 C CE1 . HIS A 192 ? 2.1158 0.9382 0.5857 -0.1668 -0.0362 -0.0136 189 HIS L CE1 1407 N NE2 . HIS A 192 ? 2.1517 0.9453 0.5935 -0.1620 -0.0412 -0.0157 189 HIS L NE2 1408 N N . LYS A 193 ? 2.0816 0.8596 0.4880 -0.2478 -0.0512 0.0174 190 LYS L N 1409 C CA . LYS A 193 ? 2.0769 0.8555 0.4776 -0.2626 -0.0515 0.0227 190 LYS L CA 1410 C C . LYS A 193 ? 2.1048 0.9093 0.5316 -0.2585 -0.0422 0.0214 190 LYS L C 1411 O O . LYS A 193 ? 2.0945 0.9086 0.5248 -0.2707 -0.0412 0.0257 190 LYS L O 1412 C CB . LYS A 193 ? 2.1373 0.8742 0.4975 -0.2656 -0.0601 0.0239 190 LYS L CB 1413 C CG . LYS A 193 ? 2.2465 0.9650 0.5960 -0.2475 -0.0593 0.0175 190 LYS L CG 1414 C CD . LYS A 193 ? 2.2890 0.9951 0.6327 -0.2294 -0.0616 0.0108 190 LYS L CD 1415 C CE . LYS A 193 ? 2.1395 0.8769 0.5169 -0.2139 -0.0518 0.0049 190 LYS L CE 1416 N NZ . LYS A 193 ? 2.1234 0.8502 0.4947 -0.1953 -0.0538 -0.0024 190 LYS L NZ 1417 N N . SER A 194 ? 2.0256 0.8403 0.4686 -0.2417 -0.0359 0.0154 191 SER L N 1418 C CA . SER A 194 ? 1.9859 0.8234 0.4520 -0.2375 -0.0275 0.0138 191 SER L CA 1419 C C . SER A 194 ? 1.9598 0.8171 0.4494 -0.2221 -0.0206 0.0079 191 SER L C 1420 O O . SER A 194 ? 1.9494 0.7971 0.4326 -0.2106 -0.0224 0.0034 191 SER L O 1421 C CB . SER A 194 ? 2.0725 0.8905 0.5197 -0.2363 -0.0282 0.0134 191 SER L CB 1422 O OG . SER A 194 ? 2.2645 1.0729 0.6971 -0.2526 -0.0326 0.0195 191 SER L OG 1423 N N . TYR A 195 ? 1.8558 0.7407 0.3718 -0.2223 -0.0131 0.0080 192 TYR L N 1424 C CA . TYR A 195 ? 1.8186 0.7257 0.3586 -0.2104 -0.0057 0.0031 192 TYR L CA 1425 C C . TYR A 195 ? 1.8934 0.8116 0.4432 -0.2110 0.0001 0.0031 192 TYR L C 1426 O O . TYR A 195 ? 1.8917 0.8120 0.4414 -0.2224 -0.0006 0.0077 192 TYR L O 1427 C CB . TYR A 195 ? 1.7911 0.7236 0.3562 -0.2126 -0.0033 0.0042 192 TYR L CB 1428 C CG . TYR A 195 ? 1.8034 0.7278 0.3620 -0.2096 -0.0079 0.0032 192 TYR L CG 1429 C CD1 . TYR A 195 ? 1.8330 0.7541 0.3856 -0.2215 -0.0133 0.0079 192 TYR L CD1 1430 C CD2 . TYR A 195 ? 1.8091 0.7307 0.3677 -0.1951 -0.0068 -0.0027 192 TYR L CD2 1431 C CE1 . TYR A 195 ? 1.8626 0.7747 0.4074 -0.2196 -0.0178 0.0072 192 TYR L CE1 1432 C CE2 . TYR A 195 ? 1.8288 0.7416 0.3804 -0.1920 -0.0115 -0.0038 192 TYR L CE2 1433 C CZ . TYR A 195 ? 1.9650 0.8725 0.5097 -0.2046 -0.0170 0.0014 192 TYR L CZ 1434 O OH . TYR A 195 ? 2.0140 0.9118 0.5505 -0.2024 -0.0219 0.0007 192 TYR L OH 1435 N N . SER A 196 ? 1.8550 0.7811 0.4127 -0.1990 0.0055 -0.0024 193 SER L N 1436 C CA . SER A 196 ? 1.8412 0.7771 0.4067 -0.1993 0.0111 -0.0028 193 SER L CA 1437 C C . SER A 196 ? 1.8663 0.8284 0.4563 -0.1922 0.0186 -0.0066 193 SER L C 1438 O O . SER A 196 ? 1.8665 0.8337 0.4605 -0.1812 0.0203 -0.0117 193 SER L O 1439 C CB . SER A 196 ? 1.9146 0.8282 0.4565 -0.1942 0.0095 -0.0055 193 SER L CB 1440 O OG . SER A 196 ? 2.0794 0.9662 0.5961 -0.2011 0.0018 -0.0021 193 SER L OG 1441 N N . CYS A 197 ? 1.8047 0.7829 0.4100 -0.1986 0.0227 -0.0041 194 CYS L N 1442 C CA . CYS A 197 ? 1.7933 0.7946 0.4193 -0.1938 0.0294 -0.0070 194 CYS L CA 1443 C C . CYS A 197 ? 1.8581 0.8587 0.4793 -0.1931 0.0333 -0.0086 194 CYS L C 1444 O O . CYS A 197 ? 1.8611 0.8573 0.4787 -0.2018 0.0326 -0.0046 194 CYS L O 1445 C CB . CYS A 197 ? 1.7825 0.8035 0.4302 -0.2010 0.0307 -0.0034 194 CYS L CB 1446 S SG . CYS A 197 ? 1.8195 0.8669 0.4907 -0.1964 0.0381 -0.0066 194 CYS L SG 1447 N N . GLN A 198 ? 1.8092 0.8154 0.4304 -0.1828 0.0375 -0.0146 195 GLN L N 1448 C CA . GLN A 198 ? 1.8014 0.8092 0.4184 -0.1826 0.0415 -0.0164 195 GLN L CA 1449 C C . GLN A 198 ? 1.8123 0.8437 0.4450 -0.1786 0.0486 -0.0204 195 GLN L C 1450 O O . GLN A 198 ? 1.8061 0.8454 0.4397 -0.1680 0.0511 -0.0266 195 GLN L O 1451 C CB . GLN A 198 ? 1.8481 0.8328 0.4399 -0.1782 0.0386 -0.0187 195 GLN L CB 1452 C CG . GLN A 198 ? 2.0758 1.0507 0.6553 -0.1649 0.0361 -0.0248 195 GLN L CG 1453 C CD . GLN A 198 ? 2.1438 1.1112 0.7078 -0.1563 0.0374 -0.0306 195 GLN L CD 1454 O OE1 . GLN A 198 ? 2.1252 1.0675 0.6659 -0.1540 0.0321 -0.0310 195 GLN L OE1 1455 N NE2 . GLN A 198 ? 1.8532 0.8426 0.4291 -0.1517 0.0443 -0.0352 195 GLN L NE2 1456 N N . VAL A 199 ? 1.7404 0.7833 0.3849 -0.1878 0.0513 -0.0168 196 VAL L N 1457 C CA . VAL A 199 ? 1.7093 0.7732 0.3671 -0.1881 0.0576 -0.0190 196 VAL L CA 1458 C C . VAL A 199 ? 1.7694 0.8300 0.4151 -0.1872 0.0606 -0.0217 196 VAL L C 1459 O O . VAL A 199 ? 1.7589 0.8022 0.3904 -0.1912 0.0579 -0.0192 196 VAL L O 1460 C CB . VAL A 199 ? 1.7214 0.7963 0.3946 -0.1985 0.0581 -0.0138 196 VAL L CB 1461 C CG1 . VAL A 199 ? 1.7019 0.7896 0.3916 -0.1970 0.0576 -0.0135 196 VAL L CG1 1462 C CG2 . VAL A 199 ? 1.7182 0.7786 0.3845 -0.2078 0.0536 -0.0079 196 VAL L CG2 1463 N N . THR A 200 ? 1.7490 0.8274 0.4004 -0.1822 0.0662 -0.0271 197 THR L N 1464 C CA . THR A 200 ? 1.7791 0.8598 0.4214 -0.1815 0.0700 -0.0304 197 THR L CA 1465 C C . THR A 200 ? 1.8508 0.9523 0.5073 -0.1897 0.0750 -0.0291 197 THR L C 1466 O O . THR A 200 ? 1.8468 0.9664 0.5180 -0.1885 0.0775 -0.0306 197 THR L O 1467 C CB . THR A 200 ? 1.9157 0.9981 0.5485 -0.1674 0.0712 -0.0387 197 THR L CB 1468 O OG1 . THR A 200 ? 1.9266 0.9853 0.5448 -0.1613 0.0648 -0.0386 197 THR L OG1 1469 C CG2 . THR A 200 ? 1.9056 0.9920 0.5285 -0.1661 0.0751 -0.0429 197 THR L CG2 1470 N N . HIS A 201 ? 1.8198 0.9168 0.4713 -0.1991 0.0758 -0.0257 198 HIS L N 1471 C CA . HIS A 201 ? 1.8123 0.9248 0.4740 -0.2087 0.0794 -0.0237 198 HIS L CA 1472 C C . HIS A 201 ? 1.8742 0.9860 0.5250 -0.2135 0.0825 -0.0246 198 HIS L C 1473 O O . HIS A 201 ? 1.8684 0.9628 0.5086 -0.2189 0.0797 -0.0207 198 HIS L O 1474 C CB . HIS A 201 ? 1.8065 0.9138 0.4773 -0.2179 0.0754 -0.0165 198 HIS L CB 1475 C CG . HIS A 201 ? 1.8394 0.9549 0.5157 -0.2289 0.0770 -0.0134 198 HIS L CG 1476 N ND1 . HIS A 201 ? 1.8652 0.9683 0.5331 -0.2377 0.0750 -0.0091 198 HIS L ND1 1477 C CD2 . HIS A 201 ? 1.8476 0.9809 0.5356 -0.2325 0.0799 -0.0139 198 HIS L CD2 1478 C CE1 . HIS A 201 ? 1.8522 0.9647 0.5261 -0.2462 0.0763 -0.0072 198 HIS L CE1 1479 N NE2 . HIS A 201 ? 1.8456 0.9761 0.5313 -0.2438 0.0792 -0.0098 198 HIS L NE2 1480 N N . GLU A 202 ? 1.8339 0.9662 0.4871 -0.2112 0.0884 -0.0301 199 GLU L N 1481 C CA . GLU A 202 ? 1.8404 0.9787 0.4845 -0.2147 0.0925 -0.0327 199 GLU L CA 1482 C C . GLU A 202 ? 1.8813 1.0004 0.5077 -0.2084 0.0904 -0.0346 199 GLU L C 1483 O O . GLU A 202 ? 1.8776 0.9856 0.4940 -0.2155 0.0899 -0.0317 199 GLU L O 1484 C CB . GLU A 202 ? 1.8580 0.9976 0.5041 -0.2302 0.0932 -0.0269 199 GLU L CB 1485 C CG . GLU A 202 ? 1.9936 1.1480 0.6547 -0.2371 0.0941 -0.0245 199 GLU L CG 1486 C CD . GLU A 202 ? 2.3110 1.4928 0.9812 -0.2333 0.0996 -0.0305 199 GLU L CD 1487 O OE1 . GLU A 202 ? 2.1706 1.3682 0.8388 -0.2401 0.1043 -0.0325 199 GLU L OE1 1488 O OE2 . GLU A 202 ? 2.2643 1.4525 0.9436 -0.2244 0.0992 -0.0330 199 GLU L OE2 1489 N N . GLY A 203 ? 1.8350 0.9484 0.4570 -0.1953 0.0883 -0.0391 200 GLY L N 1490 C CA . GLY A 203 ? 1.8518 0.9452 0.4554 -0.1874 0.0852 -0.0416 200 GLY L CA 1491 C C . GLY A 203 ? 1.8999 0.9655 0.4957 -0.1902 0.0783 -0.0353 200 GLY L C 1492 O O . GLY A 203 ? 1.9105 0.9602 0.4952 -0.1812 0.0741 -0.0374 200 GLY L O 1493 N N . SER A 204 ? 1.8310 0.8904 0.4311 -0.2031 0.0766 -0.0276 203 SER L N 1494 C CA . SER A 204 ? 1.8176 0.8547 0.4119 -0.2082 0.0704 -0.0212 203 SER L CA 1495 C C . SER A 204 ? 1.8335 0.8704 0.4372 -0.2049 0.0669 -0.0199 203 SER L C 1496 O O . SER A 204 ? 1.8047 0.8587 0.4249 -0.2059 0.0689 -0.0198 203 SER L O 1497 C CB . SER A 204 ? 1.8573 0.8923 0.4552 -0.2217 0.0698 -0.0146 203 SER L CB 1498 O OG . SER A 204 ? 1.9773 1.0116 0.5657 -0.2256 0.0728 -0.0156 203 SER L OG 1499 N N . THR A 205 ? 1.7788 0.7955 0.3702 -0.2012 0.0615 -0.0190 204 THR L N 1500 C CA . THR A 205 ? 1.7629 0.7752 0.3583 -0.1980 0.0573 -0.0178 204 THR L CA 1501 C C . THR A 205 ? 1.8031 0.8023 0.3973 -0.2079 0.0518 -0.0105 204 THR L C 1502 O O . THR A 205 ? 1.8109 0.7953 0.3925 -0.2136 0.0495 -0.0075 204 THR L O 1503 C CB . THR A 205 ? 1.8932 0.8940 0.4737 -0.1853 0.0551 -0.0236 204 THR L CB 1504 O OG1 . THR A 205 ? 1.8644 0.8849 0.4528 -0.1758 0.0602 -0.0307 204 THR L OG1 1505 C CG2 . THR A 205 ? 1.9031 0.8907 0.4800 -0.1832 0.0491 -0.0217 204 THR L CG2 1506 N N . VAL A 206 ? 1.7424 0.7489 0.3500 -0.2098 0.0498 -0.0080 205 VAL L N 1507 C CA . VAL A 206 ? 1.7310 0.7308 0.3404 -0.2183 0.0446 -0.0019 205 VAL L CA 1508 C C . VAL A 206 ? 1.7925 0.7855 0.3989 -0.2139 0.0404 -0.0023 205 VAL L C 1509 O O . VAL A 206 ? 1.7832 0.7872 0.3993 -0.2067 0.0423 -0.0057 205 VAL L O 1510 C CB . VAL A 206 ? 1.7527 0.7695 0.3815 -0.2252 0.0458 0.0014 205 VAL L CB 1511 C CG1 . VAL A 206 ? 1.7420 0.7549 0.3732 -0.2326 0.0402 0.0066 205 VAL L CG1 1512 C CG2 . VAL A 206 ? 1.7503 0.7712 0.3796 -0.2302 0.0492 0.0020 205 VAL L CG2 1513 N N . GLU A 207 ? 1.7550 0.7299 0.3472 -0.2188 0.0347 0.0012 206 GLU L N 1514 C CA . GLU A 207 ? 1.7503 0.7153 0.3354 -0.2163 0.0299 0.0012 206 GLU L CA 1515 C C . GLU A 207 ? 1.7925 0.7547 0.3779 -0.2268 0.0246 0.0070 206 GLU L C 1516 O O . GLU A 207 ? 1.7911 0.7408 0.3638 -0.2346 0.0214 0.0106 206 GLU L O 1517 C CB . GLU A 207 ? 1.7897 0.7316 0.3503 -0.2096 0.0271 -0.0020 206 GLU L CB 1518 C CG . GLU A 207 ? 1.9627 0.8928 0.5138 -0.2047 0.0222 -0.0033 206 GLU L CG 1519 C CD . GLU A 207 ? 2.2682 1.1701 0.7910 -0.1995 0.0172 -0.0055 206 GLU L CD 1520 O OE1 . GLU A 207 ? 2.3218 1.2186 0.8385 -0.1880 0.0161 -0.0107 206 GLU L OE1 1521 O OE2 . GLU A 207 ? 2.0026 0.8867 0.5084 -0.2070 0.0136 -0.0020 206 GLU L OE2 1522 N N . LYS A 208 ? 1.7323 0.7067 0.3315 -0.2267 0.0237 0.0076 207 LYS L N 1523 C CA . LYS A 208 ? 1.7203 0.6954 0.3205 -0.2356 0.0187 0.0121 207 LYS L CA 1524 C C . LYS A 208 ? 1.7883 0.7500 0.3756 -0.2336 0.0141 0.0116 207 LYS L C 1525 O O . LYS A 208 ? 1.7895 0.7477 0.3746 -0.2236 0.0154 0.0073 207 LYS L O 1526 C CB . LYS A 208 ? 1.7143 0.7134 0.3388 -0.2382 0.0201 0.0134 207 LYS L CB 1527 C CG . LYS A 208 ? 1.7336 0.7413 0.3658 -0.2450 0.0208 0.0161 207 LYS L CG 1528 C CD . LYS A 208 ? 1.7817 0.7779 0.3994 -0.2546 0.0163 0.0200 207 LYS L CD 1529 C CE . LYS A 208 ? 1.8625 0.8698 0.4900 -0.2603 0.0161 0.0223 207 LYS L CE 1530 N NZ . LYS A 208 ? 2.0077 1.0174 0.6402 -0.2566 0.0210 0.0205 207 LYS L NZ 1531 N N . THR A 209 ? 1.7649 0.7188 0.3424 -0.2433 0.0085 0.0158 208 THR L N 1532 C CA . THR A 209 ? 1.7884 0.7276 0.3510 -0.2440 0.0032 0.0162 208 THR L CA 1533 C C . THR A 209 ? 1.8334 0.7844 0.4036 -0.2542 -0.0003 0.0201 208 THR L C 1534 O O . THR A 209 ? 1.8223 0.7849 0.3999 -0.2627 -0.0004 0.0232 208 THR L O 1535 C CB . THR A 209 ? 1.9364 0.8453 0.4684 -0.2458 -0.0014 0.0168 208 THR L CB 1536 O OG1 . THR A 209 ? 1.9277 0.8282 0.4540 -0.2341 0.0019 0.0119 208 THR L OG1 1537 C CG2 . THR A 209 ? 1.9245 0.8134 0.4360 -0.2490 -0.0087 0.0182 208 THR L CG2 1538 N N . VAL A 210 ? 1.7965 0.7453 0.3645 -0.2530 -0.0031 0.0197 209 VAL L N 1539 C CA . VAL A 210 ? 1.7930 0.7520 0.3654 -0.2627 -0.0070 0.0230 209 VAL L CA 1540 C C . VAL A 210 ? 1.8632 0.8006 0.4136 -0.2644 -0.0130 0.0235 209 VAL L C 1541 O O . VAL A 210 ? 1.8581 0.7796 0.3986 -0.2540 -0.0131 0.0199 209 VAL L O 1542 C CB . VAL A 210 ? 1.8099 0.7990 0.4123 -0.2598 -0.0031 0.0218 209 VAL L CB 1543 C CG1 . VAL A 210 ? 1.7947 0.7867 0.4059 -0.2482 -0.0005 0.0177 209 VAL L CG1 1544 C CG2 . VAL A 210 ? 1.8016 0.8057 0.4100 -0.2709 -0.0068 0.0252 209 VAL L CG2 1545 N N . ALA A 211 ? 1.8386 0.7743 0.3791 -0.2777 -0.0185 0.0277 210 ALA L N 1546 C CA . ALA A 211 ? 1.8674 0.7816 0.3846 -0.2824 -0.0253 0.0291 210 ALA L CA 1547 C C . ALA A 211 ? 1.9534 0.8854 0.4799 -0.2916 -0.0277 0.0315 210 ALA L C 1548 O O . ALA A 211 ? 1.9422 0.8968 0.4822 -0.3005 -0.0269 0.0339 210 ALA L O 1549 C CB . ALA A 211 ? 1.8996 0.7870 0.3862 -0.2922 -0.0311 0.0325 210 ALA L CB 1550 N N . PRO A 212 ? 1.9380 0.8603 0.4563 -0.2899 -0.0313 0.0308 211 PRO L N 1551 C CA . PRO A 212 ? 1.9309 0.8703 0.4568 -0.2998 -0.0338 0.0332 211 PRO L CA 1552 C C . PRO A 212 ? 2.0214 0.9580 0.5298 -0.3189 -0.0396 0.0385 211 PRO L C 1553 O O . PRO A 212 ? 2.0377 0.9501 0.5208 -0.3252 -0.0436 0.0408 211 PRO L O 1554 C CB . PRO A 212 ? 1.9590 0.8827 0.4755 -0.2929 -0.0367 0.0311 211 PRO L CB 1555 C CG . PRO A 212 ? 2.0142 0.9219 0.5276 -0.2761 -0.0338 0.0263 211 PRO L CG 1556 C CD . PRO A 212 ? 1.9733 0.8691 0.4747 -0.2788 -0.0335 0.0275 211 PRO L CD 1557 N N . THR A 213 ? 1.9696 0.9330 0.4923 -0.3282 -0.0401 0.0402 212 THR L N 1558 C CA . THR A 213 ? 2.1981 1.1680 0.7091 -0.3472 -0.0450 0.0447 212 THR L CA 1559 C C . THR A 213 ? 2.5293 1.4995 1.0312 -0.3568 -0.0501 0.0465 212 THR L C 1560 O O . THR A 213 ? 2.0330 0.9748 0.5046 -0.3653 -0.0567 0.0493 212 THR L O 1561 C CB . THR A 213 ? 2.2269 1.2322 0.7629 -0.3502 -0.0412 0.0445 212 THR L CB 1562 O OG1 . THR A 213 ? 2.1518 1.1834 0.7183 -0.3394 -0.0362 0.0410 212 THR L OG1 1563 C CG2 . THR A 213 ? 2.1889 1.1884 0.7242 -0.3469 -0.0385 0.0444 212 THR L CG2 1564 C C1 . NAG B . ? 1.7688 1.5691 0.7268 0.1069 0.0839 -0.0316 500 NAG L C1 1565 C C2 . NAG B . ? 1.8381 1.6099 0.7519 0.1390 0.0758 -0.0397 500 NAG L C2 1566 C C3 . NAG B . ? 1.8528 1.6514 0.7701 0.1421 0.0798 -0.0402 500 NAG L C3 1567 C C4 . NAG B . ? 1.8188 1.6917 0.7779 0.1279 0.0907 -0.0364 500 NAG L C4 1568 C C5 . NAG B . ? 1.7707 1.6562 0.7653 0.0972 0.0961 -0.0287 500 NAG L C5 1569 C C6 . NAG B . ? 1.7473 1.7012 0.7797 0.0805 0.1052 -0.0243 500 NAG L C6 1570 C C7 . NAG B . ? 1.9245 1.5758 0.7855 0.1372 0.0593 -0.0395 500 NAG L C7 1571 C C8 . NAG B . ? 1.9783 1.5557 0.7948 0.1405 0.0483 -0.0402 500 NAG L C8 1572 N N2 . NAG B . ? 1.8905 1.5866 0.7658 0.1425 0.0655 -0.0407 500 NAG L N2 1573 O O3 . NAG B . ? 1.9197 1.7111 0.7992 0.1786 0.0731 -0.0495 500 NAG L O3 1574 O O4 . NAG B . ? 1.8450 1.7159 0.8098 0.1148 0.0937 -0.0328 500 NAG L O4 1575 O O5 . NAG B . ? 1.7594 1.6296 0.7460 0.1057 0.0920 -0.0311 500 NAG L O5 1576 O O6 . NAG B . ? 1.7383 1.6825 0.7970 0.0467 0.1090 -0.0157 500 NAG L O6 1577 O O7 . NAG B . ? 1.9312 1.5988 0.8115 0.1297 0.0617 -0.0379 500 NAG L O7 1578 C C1 . NAG C . ? 1.8719 1.7846 0.8331 0.1319 0.0961 -0.0369 501 NAG L C1 1579 C C2 . NAG C . ? 1.8708 1.7934 0.8540 0.1054 0.1022 -0.0299 501 NAG L C2 1580 C C3 . NAG C . ? 1.9055 1.8474 0.8743 0.1234 0.1025 -0.0342 501 NAG L C3 1581 C C4 . NAG C . ? 1.9605 1.8697 0.8827 0.1622 0.0933 -0.0440 501 NAG L C4 1582 C C5 . NAG C . ? 1.9687 1.8758 0.8745 0.1855 0.0881 -0.0503 501 NAG L C5 1583 C C6 . NAG C . ? 2.0373 1.9017 0.8914 0.2241 0.0771 -0.0602 501 NAG L C6 1584 C C7 . NAG C . ? 1.8340 1.8054 0.8833 0.0480 0.1146 -0.0152 501 NAG L C7 1585 C C8 . NAG C . ? 1.8152 1.8496 0.8957 0.0319 0.1213 -0.0110 501 NAG L C8 1586 N N2 . NAG C . ? 1.8442 1.8217 0.8668 0.0815 0.1105 -0.0237 501 NAG L N2 1587 O O3 . NAG C . ? 1.9143 1.8507 0.8987 0.0982 0.1067 -0.0275 501 NAG L O3 1588 O O4 . NAG C . ? 2.0052 1.9448 0.9157 0.1826 0.0940 -0.0490 501 NAG L O4 1589 O O5 . NAG C . ? 1.9339 1.8101 0.8514 0.1641 0.0875 -0.0451 501 NAG L O5 1590 O O6 . NAG C . ? 2.0831 1.8942 0.9125 0.2315 0.0687 -0.0624 501 NAG L O6 1591 O O7 . NAG C . ? 1.8573 1.7788 0.9038 0.0326 0.1125 -0.0114 501 NAG L O7 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLN 1 1 ? ? ? L . n A 1 2 SER 2 2 2 SER SER L . n A 1 3 ALA 3 3 3 ALA ALA L . n A 1 4 LEU 4 4 4 LEU LEU L . n A 1 5 THR 5 5 5 THR THR L . n A 1 6 GLN 6 6 6 GLN GLN L . n A 1 7 PRO 7 7 7 PRO PRO L . n A 1 8 ALA 8 8 8 ALA ALA L . n A 1 9 SER 9 9 9 SER SER L . n A 1 10 VAL 10 11 11 VAL VAL L . n A 1 11 SER 11 12 12 SER SER L . n A 1 12 GLY 12 13 13 GLY GLY L . n A 1 13 SER 13 14 14 SER SER L . n A 1 14 PRO 14 15 15 PRO PRO L . n A 1 15 GLY 15 16 16 GLY GLY L . n A 1 16 GLN 16 17 17 GLN GLN L . n A 1 17 SER 17 18 18 SER SER L . n A 1 18 ILE 18 19 19 ILE ILE L . n A 1 19 THR 19 20 20 THR THR L . n A 1 20 ILE 20 21 21 ILE ILE L . n A 1 21 SER 21 22 22 SER SER L . n A 1 22 CYS 22 23 23 CYS CYS L . n A 1 23 ASN 23 24 24 ASN ASN L . n A 1 24 GLY 24 25 25 GLY GLY L . n A 1 25 THR 25 26 26 THR THR L . n A 1 26 SER 26 27 27 SER SER L . n A 1 27 ASN 27 27 27 ASN ASN L A n A 1 28 ASP 28 27 27 ASP ASP L B n A 1 29 VAL 29 27 27 VAL VAL L C n A 1 30 GLY 30 28 28 GLY GLY L . n A 1 31 GLY 31 29 29 GLY GLY L . n A 1 32 TYR 32 30 30 TYR TYR L . n A 1 33 GLU 33 31 31 GLU GLU L . n A 1 34 SER 34 32 32 SER SER L . n A 1 35 VAL 35 33 33 VAL VAL L . n A 1 36 SER 36 34 34 SER SER L . n A 1 37 TRP 37 35 35 TRP TRP L . n A 1 38 TYR 38 36 36 TYR TYR L . n A 1 39 GLN 39 37 37 GLN GLN L . n A 1 40 GLN 40 38 38 GLN GLN L . n A 1 41 HIS 41 39 39 HIS HIS L . n A 1 42 PRO 42 40 40 PRO PRO L . n A 1 43 GLY 43 41 41 GLY GLY L . n A 1 44 LYS 44 42 42 LYS LYS L . n A 1 45 ALA 45 43 43 ALA ALA L . n A 1 46 PRO 46 44 44 PRO PRO L . n A 1 47 LYS 47 45 45 LYS LYS L . n A 1 48 VAL 48 46 46 VAL VAL L . n A 1 49 VAL 49 47 47 VAL VAL L . n A 1 50 ILE 50 48 48 ILE ILE L . n A 1 51 TYR 51 49 49 TYR TYR L . n A 1 52 ASP 52 50 50 ASP ASP L . n A 1 53 VAL 53 51 51 VAL VAL L . n A 1 54 SER 54 52 52 SER SER L . n A 1 55 LYS 55 53 53 LYS LYS L . n A 1 56 ARG 56 54 54 ARG ARG L . n A 1 57 PRO 57 55 55 PRO PRO L . n A 1 58 SER 58 56 56 SER SER L . n A 1 59 GLY 59 57 57 GLY GLY L . n A 1 60 VAL 60 58 58 VAL VAL L . n A 1 61 SER 61 59 59 SER SER L . n A 1 62 ASN 62 60 60 ASN ASN L . n A 1 63 ARG 63 61 61 ARG ARG L . n A 1 64 PHE 64 62 62 PHE PHE L . n A 1 65 SER 65 63 63 SER SER L . n A 1 66 GLY 66 64 64 GLY GLY L . n A 1 67 SER 67 65 65 SER SER L . n A 1 68 LYS 68 66 66 LYS LYS L . n A 1 69 SER 69 67 67 SER SER L . n A 1 70 GLY 70 68 68 GLY GLY L . n A 1 71 ASN 71 69 69 ASN ASN L . n A 1 72 THR 72 70 70 THR THR L . n A 1 73 ALA 73 71 71 ALA ALA L . n A 1 74 SER 74 72 72 SER SER L . n A 1 75 LEU 75 73 73 LEU LEU L . n A 1 76 THR 76 74 74 THR THR L . n A 1 77 ILE 77 75 75 ILE ILE L . n A 1 78 SER 78 76 76 SER SER L . n A 1 79 GLY 79 77 77 GLY GLY L . n A 1 80 LEU 80 78 78 LEU LEU L . n A 1 81 GLN 81 79 79 GLN GLN L . n A 1 82 ALA 82 80 80 ALA ALA L . n A 1 83 GLU 83 81 81 GLU GLU L . n A 1 84 ASP 84 82 82 ASP ASP L . n A 1 85 GLU 85 83 83 GLU GLU L . n A 1 86 GLY 86 84 84 GLY GLY L . n A 1 87 ASP 87 85 85 ASP ASP L . n A 1 88 TYR 88 86 86 TYR TYR L . n A 1 89 TYR 89 87 87 TYR TYR L . n A 1 90 CYS 90 88 88 CYS CYS L . n A 1 91 LYS 91 89 89 LYS LYS L . n A 1 92 SER 92 90 90 SER SER L . n A 1 93 LEU 93 91 91 LEU LEU L . n A 1 94 THR 94 92 92 THR THR L . n A 1 95 SER 95 93 93 SER SER L . n A 1 96 THR 96 94 94 THR THR L . n A 1 97 ARG 97 95 95 ARG ARG L . n A 1 98 ARG 98 95 95 ARG ARG L A n A 1 99 ARG 99 96 96 ARG ARG L . n A 1 100 VAL 100 97 97 VAL VAL L . n A 1 101 PHE 101 98 98 PHE PHE L . n A 1 102 GLY 102 99 99 GLY GLY L . n A 1 103 THR 103 100 100 THR THR L . n A 1 104 GLY 104 101 101 GLY GLY L . n A 1 105 THR 105 102 102 THR THR L . n A 1 106 LYS 106 103 103 LYS LYS L . n A 1 107 LEU 107 104 104 LEU LEU L . n A 1 108 THR 108 105 105 THR THR L . n A 1 109 VAL 109 106 106 VAL VAL L . n A 1 110 LEU 110 106 106 LEU LEU L A n A 1 111 GLY 111 107 107 GLY GLY L . n A 1 112 GLN 112 108 108 GLN GLN L . n A 1 113 PRO 113 109 109 PRO PRO L . n A 1 114 LYS 114 110 110 LYS LYS L . n A 1 115 ALA 115 111 111 ALA ALA L . n A 1 116 ALA 116 112 112 ALA ALA L . n A 1 117 PRO 117 113 113 PRO PRO L . n A 1 118 SER 118 114 114 SER SER L . n A 1 119 VAL 119 115 115 VAL VAL L . n A 1 120 THR 120 116 116 THR THR L . n A 1 121 LEU 121 117 117 LEU LEU L . n A 1 122 PHE 122 118 118 PHE PHE L . n A 1 123 PRO 123 119 119 PRO PRO L . n A 1 124 PRO 124 120 120 PRO PRO L . n A 1 125 SER 125 121 121 SER SER L . n A 1 126 SER 126 122 122 SER SER L . n A 1 127 GLU 127 123 123 GLU GLU L . n A 1 128 GLU 128 124 124 GLU GLU L . n A 1 129 LEU 129 125 125 LEU LEU L . n A 1 130 GLN 130 126 126 GLN GLN L . n A 1 131 ALA 131 127 127 ALA ALA L . n A 1 132 ASN 132 128 128 ASN ASN L . n A 1 133 LYS 133 129 129 LYS LYS L . n A 1 134 ALA 134 130 130 ALA ALA L . n A 1 135 THR 135 131 131 THR THR L . n A 1 136 LEU 136 132 132 LEU LEU L . n A 1 137 VAL 137 133 133 VAL VAL L . n A 1 138 CYS 138 134 134 CYS CYS L . n A 1 139 LEU 139 135 135 LEU LEU L . n A 1 140 ILE 140 136 136 ILE ILE L . n A 1 141 SER 141 137 137 SER SER L . n A 1 142 ASP 142 138 138 ASP ASP L . n A 1 143 PHE 143 139 139 PHE PHE L . n A 1 144 TYR 144 140 140 TYR TYR L . n A 1 145 PRO 145 141 141 PRO PRO L . n A 1 146 GLY 146 142 142 GLY GLY L . n A 1 147 ALA 147 143 143 ALA ALA L . n A 1 148 VAL 148 144 144 VAL VAL L . n A 1 149 THR 149 145 145 THR THR L . n A 1 150 VAL 150 146 146 VAL VAL L . n A 1 151 ALA 151 147 147 ALA ALA L . n A 1 152 TRP 152 148 148 TRP TRP L . n A 1 153 LYS 153 149 149 LYS LYS L . n A 1 154 ALA 154 150 150 ALA ALA L . n A 1 155 ASP 155 151 151 ASP ASP L . n A 1 156 SER 156 152 152 SER SER L . n A 1 157 SER 157 153 153 SER SER L . n A 1 158 PRO 158 154 154 PRO PRO L . n A 1 159 VAL 159 155 155 VAL VAL L . n A 1 160 LYS 160 156 156 LYS LYS L . n A 1 161 ALA 161 157 157 ALA ALA L . n A 1 162 GLY 162 158 158 GLY GLY L . n A 1 163 VAL 163 159 159 VAL VAL L . n A 1 164 GLU 164 160 160 GLU GLU L . n A 1 165 THR 165 161 161 THR THR L . n A 1 166 THR 166 162 162 THR THR L . n A 1 167 THR 167 163 163 THR THR L . n A 1 168 PRO 168 164 164 PRO PRO L . n A 1 169 SER 169 165 165 SER SER L . n A 1 170 LYS 170 166 166 LYS LYS L . n A 1 171 GLN 171 167 167 GLN GLN L . n A 1 172 SER 172 168 168 SER SER L . n A 1 173 ASN 173 170 170 ASN ASN L . n A 1 174 ASN 174 171 171 ASN ASN L . n A 1 175 LYS 175 172 172 LYS LYS L . n A 1 176 TYR 176 173 173 TYR TYR L . n A 1 177 ALA 177 174 174 ALA ALA L . n A 1 178 ALA 178 175 175 ALA ALA L . n A 1 179 SER 179 176 176 SER SER L . n A 1 180 SER 180 177 177 SER SER L . n A 1 181 TYR 181 178 178 TYR TYR L . n A 1 182 LEU 182 179 179 LEU LEU L . n A 1 183 SER 183 180 180 SER SER L . n A 1 184 LEU 184 181 181 LEU LEU L . n A 1 185 THR 185 182 182 THR THR L . n A 1 186 PRO 186 183 183 PRO PRO L . n A 1 187 GLU 187 184 184 GLU GLU L . n A 1 188 GLN 188 185 185 GLN GLN L . n A 1 189 TRP 189 186 186 TRP TRP L . n A 1 190 LYS 190 187 187 LYS LYS L . n A 1 191 SER 191 188 188 SER SER L . n A 1 192 HIS 192 189 189 HIS HIS L . n A 1 193 LYS 193 190 190 LYS LYS L . n A 1 194 SER 194 191 191 SER SER L . n A 1 195 TYR 195 192 192 TYR TYR L . n A 1 196 SER 196 193 193 SER SER L . n A 1 197 CYS 197 194 194 CYS CYS L . n A 1 198 GLN 198 195 195 GLN GLN L . n A 1 199 VAL 199 196 196 VAL VAL L . n A 1 200 THR 200 197 197 THR THR L . n A 1 201 HIS 201 198 198 HIS HIS L . n A 1 202 GLU 202 199 199 GLU GLU L . n A 1 203 GLY 203 200 200 GLY GLY L . n A 1 204 SER 204 203 203 SER SER L . n A 1 205 THR 205 204 204 THR THR L . n A 1 206 VAL 206 205 205 VAL VAL L . n A 1 207 GLU 207 206 206 GLU GLU L . n A 1 208 LYS 208 207 207 LYS LYS L . n A 1 209 THR 209 208 208 THR THR L . n A 1 210 VAL 210 209 209 VAL VAL L . n A 1 211 ALA 211 210 210 ALA ALA L . n A 1 212 PRO 212 211 211 PRO PRO L . n A 1 213 THR 213 212 212 THR THR L . n A 1 214 GLU 214 213 ? ? ? L . n A 1 215 CYS 215 214 ? ? ? L . n A 1 216 SER 216 215 ? ? ? L . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 500 500 NAG NAG L . C 2 NAG 2 501 501 NAG NAG L . D 3 HOH 1 216 1 HOH HOH L . D 3 HOH 2 217 2 HOH HOH L . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 23 _pdbx_struct_mod_residue.auth_asym_id L _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 24 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # _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 2010-06-16 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-08 # _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' 'Version format compliance' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 0.0000 0.0000 0.0000 0.0141 0.0050 -0.1321 -0.0091 -0.0477 -0.0271 0.1784 -0.0001 2.7774 -0.0007 0.7627 -0.0486 0.0191 -0.0033 -0.0157 -0.0819 -0.0187 0.0677 0.0842 -0.0240 0.0102 'X-RAY DIFFRACTION' 2 ? refined 0.0000 0.0000 0.0000 -0.0044 -0.0071 -0.1464 -0.0066 -0.0805 -0.0645 0.1901 0.1221 1.5126 0.1372 0.5414 0.2728 -0.0076 0.0471 -0.0395 -0.0175 -0.0127 0.0930 0.0242 -0.0231 -0.0178 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 L 2 L 112 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 2 1 L 502 L 503 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 3 2 L 113 L 213 ? ? ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345 'data collection' . ? 1 PHASER phasing . ? 2 BUSTER refinement 2.8.0 ? 3 XDS 'data reduction' . ? 4 XSCALE 'data scaling' . ? 5 # 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 ASP L 27 B ? -137.50 -92.09 2 1 GLU L 31 ? ? -96.94 39.36 3 1 PRO L 40 ? ? -34.41 -70.10 4 1 VAL L 51 ? ? 82.35 -55.98 5 1 THR L 94 ? ? -101.99 -143.69 6 1 GLN L 108 ? ? 24.11 68.58 7 1 ASN L 128 ? ? 73.62 31.86 8 1 ASP L 151 ? ? 71.72 -92.48 9 1 SER L 188 ? ? -61.00 -71.95 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 L SER 2 ? OG ? A SER 2 OG 2 1 Y 1 L LYS 103 ? CG ? A LYS 106 CG 3 1 Y 1 L LYS 103 ? CD ? A LYS 106 CD 4 1 Y 1 L LYS 103 ? CE ? A LYS 106 CE 5 1 Y 1 L LYS 103 ? NZ ? A LYS 106 NZ 6 1 Y 1 L GLU 160 ? CG ? A GLU 164 CG 7 1 Y 1 L GLU 160 ? CD ? A GLU 164 CD 8 1 Y 1 L GLU 160 ? OE1 ? A GLU 164 OE1 9 1 Y 1 L GLU 160 ? OE2 ? A GLU 164 OE2 # 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 L GLN 1 ? A GLN 1 2 1 Y 1 L GLU 213 ? A GLU 214 3 1 Y 1 L CYS 214 ? A CYS 215 4 1 Y 1 L SER 215 ? A SER 216 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #