data_3CA4 # _entry.id 3CA4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3CA4 RCSB RCSB046531 WWPDB D_1000046531 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3C9Z 'Sambucus nigra agglutinin II - tetragonal crystal form' unspecified PDB 3CA0 'Sambucus nigra agglutinin II - hexagonal crystal form' unspecified PDB 3CA1 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to galactose' unspecified PDB 3CA3 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to N-acetygalactosamine' unspecified PDB 3CA5 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to methyl-galactose' unspecified PDB 3CA6 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to Tn antigen' unspecified PDB 3CAH 'Sambucus nigra agglutinin II - tetragonal crystal form - complexed to fucose' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3CA4 _pdbx_database_status.recvd_initial_deposition_date 2008-02-19 _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 ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Maveyraud, L.' 1 'Mourey, L.' 2 # _citation.id primary _citation.title 'Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra' _citation.journal_abbrev Proteins _citation.journal_volume 75 _citation.page_first 89 _citation.page_last 103 _citation.year 2009 _citation.journal_id_ASTM PSFGEY _citation.country US _citation.journal_id_ISSN 0887-3585 _citation.journal_id_CSD 0867 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18798567 _citation.pdbx_database_id_DOI 10.1002/prot.22222 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Maveyraud, L.' 1 primary 'Niwa, H.' 2 primary 'Guillet, V.' 3 primary 'Svergun, D.I.' 4 primary 'Konarev, P.V.' 5 primary 'Palmer, R.A.' 6 primary 'Peumans, W.J.' 7 primary 'Rouge, P.' 8 primary 'Van Damme, E.J.' 9 primary 'Reynolds, C.D.' 10 primary 'Mourey, L.' 11 # _cell.entry_id 3CA4 _cell.length_a 126.124 _cell.length_b 126.124 _cell.length_c 76.039 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _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 3CA4 _symmetry.space_group_name_H-M 'I 41 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 98 _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 nat 'Agglutinin II' 28439.059 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 4 non-polymer man BETA-LACTOSE 342.296 2 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 6 ? ? ? ? 6 non-polymer syn 'ACETATE ION' 59.044 1 ? ? ? ? 7 water nat water 18.015 353 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name SNA-II # _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 ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRLVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _entity_poly.pdbx_seq_one_letter_code_can ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRLVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _entity_poly.pdbx_strand_id A _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 THR n 1 2 SER n 1 3 PHE n 1 4 THR n 1 5 ARG n 1 6 ASN n 1 7 ILE n 1 8 VAL n 1 9 GLY n 1 10 ARG n 1 11 ASP n 1 12 GLY n 1 13 LEU n 1 14 CYS n 1 15 VAL n 1 16 ASP n 1 17 VAL n 1 18 ARG n 1 19 ASN n 1 20 GLY n 1 21 TYR n 1 22 ASP n 1 23 THR n 1 24 ASP n 1 25 GLY n 1 26 THR n 1 27 PRO n 1 28 LEU n 1 29 GLN n 1 30 LEU n 1 31 TRP n 1 32 PRO n 1 33 CYS n 1 34 GLY n 1 35 THR n 1 36 GLN n 1 37 ARG n 1 38 ASN n 1 39 GLN n 1 40 ARG n 1 41 TRP n 1 42 THR n 1 43 PHE n 1 44 ASP n 1 45 SER n 1 46 ASP n 1 47 ASP n 1 48 THR n 1 49 ILE n 1 50 ARG n 1 51 SER n 1 52 MET n 1 53 GLY n 1 54 LYS n 1 55 CYS n 1 56 MET n 1 57 THR n 1 58 ALA n 1 59 ASN n 1 60 GLY n 1 61 LEU n 1 62 ASN n 1 63 ASN n 1 64 GLY n 1 65 SER n 1 66 ASN n 1 67 ILE n 1 68 VAL n 1 69 ILE n 1 70 PHE n 1 71 ASN n 1 72 CYS n 1 73 SER n 1 74 THR n 1 75 ALA n 1 76 ALA n 1 77 GLU n 1 78 ASN n 1 79 ALA n 1 80 ILE n 1 81 LYS n 1 82 TRP n 1 83 GLU n 1 84 VAL n 1 85 PRO n 1 86 ILE n 1 87 ASP n 1 88 GLY n 1 89 SER n 1 90 ILE n 1 91 ILE n 1 92 ASN n 1 93 PRO n 1 94 SER n 1 95 SER n 1 96 GLY n 1 97 LEU n 1 98 VAL n 1 99 MET n 1 100 THR n 1 101 ALA n 1 102 PRO n 1 103 ARG n 1 104 ALA n 1 105 ALA n 1 106 SER n 1 107 ARG n 1 108 THR n 1 109 ILE n 1 110 LEU n 1 111 LEU n 1 112 LEU n 1 113 GLU n 1 114 ASP n 1 115 ASN n 1 116 ILE n 1 117 TYR n 1 118 ALA n 1 119 ALA n 1 120 SER n 1 121 GLN n 1 122 GLY n 1 123 TRP n 1 124 THR n 1 125 VAL n 1 126 THR n 1 127 ASN n 1 128 ASN n 1 129 VAL n 1 130 LYS n 1 131 PRO n 1 132 ILE n 1 133 VAL n 1 134 ALA n 1 135 SER n 1 136 ILE n 1 137 VAL n 1 138 GLY n 1 139 TYR n 1 140 LYS n 1 141 GLU n 1 142 MET n 1 143 CYS n 1 144 LEU n 1 145 GLN n 1 146 SER n 1 147 ASN n 1 148 GLY n 1 149 GLU n 1 150 ASN n 1 151 ASN n 1 152 GLY n 1 153 VAL n 1 154 TRP n 1 155 MET n 1 156 GLU n 1 157 ASP n 1 158 CYS n 1 159 GLU n 1 160 ALA n 1 161 THR n 1 162 SER n 1 163 LEU n 1 164 GLN n 1 165 GLN n 1 166 GLN n 1 167 TRP n 1 168 ALA n 1 169 LEU n 1 170 TYR n 1 171 GLY n 1 172 ASP n 1 173 ARG n 1 174 THR n 1 175 ILE n 1 176 ARG n 1 177 VAL n 1 178 ASN n 1 179 SER n 1 180 THR n 1 181 ARG n 1 182 GLY n 1 183 LEU n 1 184 CYS n 1 185 VAL n 1 186 THR n 1 187 THR n 1 188 ASN n 1 189 GLY n 1 190 TYR n 1 191 ASN n 1 192 SER n 1 193 LYS n 1 194 ASP n 1 195 LEU n 1 196 ILE n 1 197 ILE n 1 198 ILE n 1 199 LEU n 1 200 LYS n 1 201 CYS n 1 202 GLN n 1 203 GLY n 1 204 LEU n 1 205 PRO n 1 206 SER n 1 207 GLN n 1 208 ARG n 1 209 TRP n 1 210 PHE n 1 211 PHE n 1 212 ASN n 1 213 SER n 1 214 ASP n 1 215 GLY n 1 216 ALA n 1 217 ILE n 1 218 VAL n 1 219 ASN n 1 220 PRO n 1 221 LYS n 1 222 SER n 1 223 ARG n 1 224 LEU n 1 225 VAL n 1 226 MET n 1 227 ASP n 1 228 VAL n 1 229 ARG n 1 230 ALA n 1 231 SER n 1 232 ASN n 1 233 VAL n 1 234 SER n 1 235 LEU n 1 236 ARG n 1 237 GLU n 1 238 ILE n 1 239 ILE n 1 240 ILE n 1 241 PHE n 1 242 PRO n 1 243 ALA n 1 244 THR n 1 245 GLY n 1 246 ASN n 1 247 PRO n 1 248 ASN n 1 249 GLN n 1 250 GLN n 1 251 TRP n 1 252 VAL n 1 253 THR n 1 254 GLN n 1 255 VAL n 1 256 LEU n 1 257 PRO n 1 258 SER n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'European elder, elderberry' _entity_src_nat.pdbx_organism_scientific 'Sambucus nigra' _entity_src_nat.pdbx_ncbi_taxonomy_id 4202 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue BARK _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NIGB_SAMNI _struct_ref.pdbx_db_accession P33183 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;TSFTRNIVGRDGLCVDVRNGYDTDGTPLQLWPCGTQRNQRWTFDSDDTIRSMGKCMTANGLNNGSNIVIFNCSTAAENAI KWEVPIDGSIINPSSGLVMTAPRAASRTILLLEDNIYAASQGWTVTNNVKPIVASIVGYKEMCLQSNGENNGVWMEDCEA TSLQQQWALYGDRTIRVNSTRGLCVTTNGYNSKDLIIILKCQGLPSQRWFFNSDGAIVNPKSRHVMDVRASNVSLREIII FPATGNPNQQWVTQVLPS ; _struct_ref.pdbx_align_begin 306 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3CA4 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 258 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P33183 _struct_ref_seq.db_align_beg 306 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 563 _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 258 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 3CA4 _struct_ref_seq_dif.mon_id LEU _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 224 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P33183 _struct_ref_seq_dif.db_mon_id HIS _struct_ref_seq_dif.pdbx_seq_db_seq_num 529 _struct_ref_seq_dif.details 'SEE REMARK 999' _struct_ref_seq_dif.pdbx_auth_seq_num 224 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 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 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LAT saccharide . BETA-LACTOSE ? 'C12 H22 O11' 342.296 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 3CA4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.67 _exptl_crystal.density_percent_sol 53.87 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pdbx_details 'PROTEIN 16 MG/ML, AMMONIUM SULFATE 2.0 M, SODIUM ACETATE 100 mM, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' _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 'MAR CCD 165 mm' _diffrn_detector.pdbx_collection_date 2003-09-26 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE BM30A' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline BM30A _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.entry_id 3CA4 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 1.55 _reflns.d_resolution_low 34.79 _reflns.number_all 43092 _reflns.number_obs 43092 _reflns.percent_possible_obs 96.7 _reflns.pdbx_Rmerge_I_obs 0.041 _reflns.pdbx_Rsym_value 0.041 _reflns.pdbx_netI_over_sigmaI 23.0 _reflns.B_iso_Wilson_estimate 15.3 _reflns.pdbx_redundancy 4.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.55 _reflns_shell.d_res_low 1.63 _reflns_shell.percent_possible_all 78.7 _reflns_shell.Rmerge_I_obs 0.142 _reflns_shell.pdbx_Rsym_value 0.142 _reflns_shell.meanI_over_sigI_obs 7.6 _reflns_shell.pdbx_redundancy 2.8 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 5002 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3CA4 _refine.ls_number_reflns_obs 40807 _refine.ls_number_reflns_all 40807 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 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 20.00 _refine.ls_d_res_high 1.55 _refine.ls_percent_reflns_obs 97.02 _refine.ls_R_factor_obs 0.13272 _refine.ls_R_factor_all 0.13272 _refine.ls_R_factor_R_work 0.13032 _refine.ls_R_factor_R_free 0.17896 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 2155 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.972 _refine.correlation_coeff_Fo_to_Fc_free 0.951 _refine.B_iso_mean 17.392 _refine.aniso_B[1][1] 0.00 _refine.aniso_B[2][2] 0.00 _refine.aniso_B[3][3] -0.01 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'Sambucus nigra agglutinin, tetragonal crystal form' _refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.082 _refine.pdbx_overall_ESU_R_Free 0.073 _refine.overall_SU_ML 0.038 _refine.overall_SU_B 2.229 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _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_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_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1982 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 196 _refine_hist.number_atoms_solvent 353 _refine_hist.number_atoms_total 2531 _refine_hist.d_res_high 1.55 _refine_hist.d_res_low 20.00 # 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 r_bond_refined_d 0.019 0.021 ? 2351 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.781 2.032 ? 3244 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.171 5.000 ? 286 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 33.202 24.896 ? 96 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 11.841 15.000 ? 356 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 20.248 15.000 ? 15 'X-RAY DIFFRACTION' ? r_chiral_restr 0.126 0.200 ? 390 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.009 0.020 ? 1709 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.213 0.200 ? 1130 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.320 0.200 ? 1670 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.155 0.200 ? 260 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.251 0.200 ? 72 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.207 0.200 ? 47 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 3.935 6.000 ? 1400 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 4.763 9.000 ? 2239 'X-RAY DIFFRACTION' ? r_scbond_it 6.056 9.000 ? 1062 'X-RAY DIFFRACTION' ? r_scangle_it 7.763 13.000 ? 1005 'X-RAY DIFFRACTION' ? r_rigid_bond_restr 3.848 3.000 ? 2462 'X-RAY DIFFRACTION' ? r_sphericity_free 8.817 3.000 ? 356 'X-RAY DIFFRACTION' ? r_sphericity_bonded 6.241 3.000 ? 2292 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.550 _refine_ls_shell.d_res_low 1.590 _refine_ls_shell.number_reflns_R_work 1882 _refine_ls_shell.R_factor_R_work 0.106 _refine_ls_shell.percent_reflns_obs 64.56 _refine_ls_shell.R_factor_R_free 0.205 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 93 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3CA4 _struct.title 'Sambucus nigra agglutinin II, tetragonal crystal form- complexed to lactose' _struct.pdbx_descriptor 'Agglutinin II, SNA-II' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3CA4 _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN, Plant Protein' _struct_keywords.text 'BETA-TREFOIL, RICIN-B DOMAIN, GLYCOSYLATION, LACTOSE, Glycoprotein, Lectin, SUGAR BINDING PROTEIN, Plant Protein' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 4 ? L N N 4 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 5 ? R N N 5 ? S N N 6 ? T N N 7 ? # _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 GLY A 9 ? LEU A 13 ? GLY A 9 LEU A 13 5 ? 5 HELX_P HELX_P2 2 ASN A 19 ? TYR A 21 ? ASN A 19 TYR A 21 5 ? 3 HELX_P HELX_P3 3 GLN A 36 ? ARG A 40 ? GLN A 36 ARG A 40 5 ? 5 HELX_P HELX_P4 4 ALA A 76 ? LYS A 81 ? ALA A 76 LYS A 81 5 ? 6 HELX_P HELX_P5 5 ALA A 118 ? GLY A 122 ? ALA A 118 GLY A 122 5 ? 5 HELX_P HELX_P6 6 GLY A 138 ? MET A 142 ? GLY A 138 MET A 142 5 ? 5 HELX_P HELX_P7 7 SER A 162 ? GLN A 165 ? SER A 162 GLN A 165 5 ? 4 HELX_P HELX_P8 8 LEU A 204 ? ARG A 208 ? LEU A 204 ARG A 208 5 ? 5 HELX_P HELX_P9 9 ALA A 230 ? ARG A 236 ? ALA A 230 ARG A 236 5 ? 7 HELX_P HELX_P10 10 ASN A 246 ? GLN A 250 ? ASN A 246 GLN A 250 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 14 SG ? ? ? 1_555 A CYS 33 SG ? ? A CYS 14 A CYS 33 1_555 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 55 SG ? ? ? 1_555 A CYS 72 SG ? ? A CYS 55 A CYS 72 1_555 ? ? ? ? ? ? ? 2.065 ? disulf3 disulf ? ? A CYS 143 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 143 A CYS 158 1_555 ? ? ? ? ? ? ? 2.048 ? disulf4 disulf ? ? A CYS 184 SG ? ? ? 1_555 A CYS 201 SG ? ? A CYS 184 A CYS 201 1_555 ? ? ? ? ? ? ? 2.071 ? covale1 covale ? ? A ASN 63 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 63 A NAG 258 1_555 ? ? ? ? ? ? ? 1.432 ? covale2 covale ? ? A ASN 71 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 71 A NAG 261 1_555 ? ? ? ? ? ? ? 1.454 ? covale3 covale ? ? A ASN 178 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 178 A NAG 264 1_555 ? ? ? ? ? ? ? 1.449 ? covale4 covale ? ? A ASN 232 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 232 A NAG 266 1_555 ? ? ? ? ? ? ? 1.460 ? covale5 covale ? ? B NAG . O3 ? ? ? 1_555 D FUC . C1 ? ? A NAG 258 A FUC 260 1_555 ? ? ? ? ? ? ? 1.448 ? covale6 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 258 A NAG 259 1_555 ? ? ? ? ? ? ? 1.440 ? covale7 covale ? ? E NAG . O3 ? ? ? 1_555 G FUC . C1 ? ? A NAG 261 A FUC 263 1_555 ? ? ? ? ? ? ? 1.440 ? covale8 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 261 A NAG 262 1_555 ? ? ? ? ? ? ? 1.448 ? covale9 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 264 A NAG 265 1_555 ? ? ? ? ? ? ? 1.447 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 2 ? C ? 2 ? D ? 6 ? E ? 2 ? F ? 2 ? G ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel D 5 6 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ASN A 66 ? PHE A 70 ? ASN A 66 PHE A 70 A 2 LYS A 54 ? ASN A 59 ? LYS A 54 ASN A 59 A 3 ILE A 49 ? SER A 51 ? ILE A 49 SER A 51 A 4 TRP A 41 ? ASP A 44 ? TRP A 41 ASP A 44 A 5 SER A 2 ? VAL A 8 ? SER A 2 VAL A 8 A 6 THR A 124 ? THR A 126 ? THR A 124 THR A 126 B 1 CYS A 14 ? VAL A 17 ? CYS A 14 VAL A 17 B 2 LEU A 28 ? TRP A 31 ? LEU A 28 TRP A 31 C 1 VAL A 98 ? THR A 100 ? VAL A 98 THR A 100 C 2 LEU A 111 ? GLU A 113 ? LEU A 111 GLU A 113 D 1 ILE A 196 ? LYS A 200 ? ILE A 196 LYS A 200 D 2 THR A 180 ? THR A 187 ? THR A 180 THR A 187 D 3 ILE A 175 ? VAL A 177 ? ILE A 175 VAL A 177 D 4 TRP A 167 ? LEU A 169 ? TRP A 167 LEU A 169 D 5 ILE A 132 ? VAL A 137 ? ILE A 132 VAL A 137 D 6 VAL A 252 ? VAL A 255 ? VAL A 252 VAL A 255 E 1 CYS A 143 ? GLN A 145 ? CYS A 143 GLN A 145 E 2 TRP A 154 ? GLU A 156 ? TRP A 154 GLU A 156 F 1 PHE A 210 ? PHE A 211 ? PHE A 210 PHE A 211 F 2 ILE A 217 ? VAL A 218 ? ILE A 217 VAL A 218 G 1 VAL A 225 ? VAL A 228 ? VAL A 225 VAL A 228 G 2 ILE A 238 ? PHE A 241 ? ILE A 238 PHE A 241 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ASN A 66 ? O ASN A 66 N ASN A 59 ? N ASN A 59 A 2 3 O MET A 56 ? O MET A 56 N ILE A 49 ? N ILE A 49 A 3 4 O ARG A 50 ? O ARG A 50 N THR A 42 ? N THR A 42 A 4 5 O TRP A 41 ? O TRP A 41 N ARG A 5 ? N ARG A 5 A 5 6 N VAL A 8 ? N VAL A 8 O THR A 124 ? O THR A 124 B 1 2 N CYS A 14 ? N CYS A 14 O TRP A 31 ? O TRP A 31 C 1 2 N THR A 100 ? N THR A 100 O LEU A 111 ? O LEU A 111 D 1 2 O ILE A 197 ? O ILE A 197 N THR A 186 ? N THR A 186 D 2 3 O VAL A 185 ? O VAL A 185 N ILE A 175 ? N ILE A 175 D 3 4 O ARG A 176 ? O ARG A 176 N ALA A 168 ? N ALA A 168 D 4 5 O LEU A 169 ? O LEU A 169 N ILE A 132 ? N ILE A 132 D 5 6 N VAL A 137 ? N VAL A 137 O VAL A 252 ? O VAL A 252 E 1 2 N CYS A 143 ? N CYS A 143 O GLU A 156 ? O GLU A 156 F 1 2 N PHE A 210 ? N PHE A 210 O VAL A 218 ? O VAL A 218 G 1 2 N VAL A 225 ? N VAL A 225 O PHE A 241 ? O PHE A 241 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 258' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 259' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE FUC A 260' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 261' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 262' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE FUC A 263' AC7 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 264' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 265' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 266' BC1 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE LAT A 267' BC2 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE LAT A 268' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 901' BC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 902' BC5 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE SO4 A 903' BC6 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 904' BC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 905' BC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 906' BC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ACT A 910' # 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 6 ASN A 63 ? ASN A 63 . ? 1_555 ? 2 AC1 6 ASP A 114 ? ASP A 114 . ? 1_555 ? 3 AC1 6 NAG C . ? NAG A 259 . ? 1_555 ? 4 AC1 6 FUC D . ? FUC A 260 . ? 1_555 ? 5 AC1 6 HOH T . ? HOH A 1113 . ? 1_555 ? 6 AC1 6 HOH T . ? HOH A 1248 . ? 1_555 ? 7 AC2 4 NAG B . ? NAG A 258 . ? 1_555 ? 8 AC2 4 FUC D . ? FUC A 260 . ? 1_555 ? 9 AC2 4 HOH T . ? HOH A 1091 . ? 1_555 ? 10 AC2 4 HOH T . ? HOH A 1244 . ? 1_555 ? 11 AC3 2 NAG B . ? NAG A 258 . ? 1_555 ? 12 AC3 2 NAG C . ? NAG A 259 . ? 1_555 ? 13 AC4 7 ASN A 71 ? ASN A 71 . ? 1_555 ? 14 AC4 7 SER A 73 ? SER A 73 . ? 1_555 ? 15 AC4 7 NAG F . ? NAG A 262 . ? 1_555 ? 16 AC4 7 FUC G . ? FUC A 263 . ? 1_555 ? 17 AC4 7 SO4 M . ? SO4 A 901 . ? 1_555 ? 18 AC4 7 HOH T . ? HOH A 1038 . ? 1_555 ? 19 AC4 7 HOH T . ? HOH A 1168 . ? 1_555 ? 20 AC5 3 NAG E . ? NAG A 261 . ? 1_555 ? 21 AC5 3 FUC G . ? FUC A 263 . ? 1_555 ? 22 AC5 3 HOH T . ? HOH A 1255 . ? 1_555 ? 23 AC6 2 NAG E . ? NAG A 261 . ? 1_555 ? 24 AC6 2 NAG F . ? NAG A 262 . ? 1_555 ? 25 AC7 9 VAL A 133 ? VAL A 133 . ? 1_555 ? 26 AC7 9 ASN A 178 ? ASN A 178 . ? 1_555 ? 27 AC7 9 ARG A 181 ? ARG A 181 . ? 1_555 ? 28 AC7 9 PRO A 257 ? PRO A 257 . ? 1_555 ? 29 AC7 9 NAG I . ? NAG A 265 . ? 1_555 ? 30 AC7 9 HOH T . ? HOH A 961 . ? 1_555 ? 31 AC7 9 HOH T . ? HOH A 1036 . ? 1_555 ? 32 AC7 9 HOH T . ? HOH A 1102 . ? 1_555 ? 33 AC7 9 HOH T . ? HOH A 1141 . ? 1_555 ? 34 AC8 4 NAG H . ? NAG A 264 . ? 1_555 ? 35 AC8 4 HOH T . ? HOH A 952 . ? 1_555 ? 36 AC8 4 HOH T . ? HOH A 1111 . ? 1_555 ? 37 AC8 4 HOH T . ? HOH A 1204 . ? 1_555 ? 38 AC9 3 ASN A 232 ? ASN A 232 . ? 1_555 ? 39 AC9 3 SER A 234 ? SER A 234 . ? 1_555 ? 40 AC9 3 LEU A 235 ? LEU A 235 . ? 1_555 ? 41 BC1 12 ASP A 16 ? ASP A 16 . ? 1_555 ? 42 BC1 12 VAL A 17 ? VAL A 17 . ? 1_555 ? 43 BC1 12 ASN A 19 ? ASN A 19 . ? 1_555 ? 44 BC1 12 GLN A 29 ? GLN A 29 . ? 1_555 ? 45 BC1 12 TRP A 31 ? TRP A 31 . ? 1_555 ? 46 BC1 12 GLN A 36 ? GLN A 36 . ? 1_555 ? 47 BC1 12 ASN A 38 ? ASN A 38 . ? 1_555 ? 48 BC1 12 HOH T . ? HOH A 953 . ? 1_555 ? 49 BC1 12 HOH T . ? HOH A 1093 . ? 1_555 ? 50 BC1 12 HOH T . ? HOH A 1108 . ? 1_555 ? 51 BC1 12 HOH T . ? HOH A 1139 . ? 1_555 ? 52 BC1 12 HOH T . ? HOH A 1150 . ? 1_555 ? 53 BC2 14 ASP A 46 ? ASP A 46 . ? 10_655 ? 54 BC2 14 ASP A 47 ? ASP A 47 . ? 10_655 ? 55 BC2 14 LYS A 81 ? LYS A 81 . ? 10_655 ? 56 BC2 14 GLU A 83 ? GLU A 83 . ? 10_655 ? 57 BC2 14 PRO A 93 ? PRO A 93 . ? 10_655 ? 58 BC2 14 ASP A 227 ? ASP A 227 . ? 1_555 ? 59 BC2 14 ARG A 229 ? ARG A 229 . ? 1_555 ? 60 BC2 14 ALA A 230 ? ALA A 230 . ? 1_555 ? 61 BC2 14 ASN A 248 ? ASN A 248 . ? 1_555 ? 62 BC2 14 HOH T . ? HOH A 970 . ? 1_555 ? 63 BC2 14 HOH T . ? HOH A 1123 . ? 1_555 ? 64 BC2 14 HOH T . ? HOH A 1162 . ? 10_655 ? 65 BC2 14 HOH T . ? HOH A 1219 . ? 1_555 ? 66 BC2 14 HOH T . ? HOH A 1231 . ? 1_555 ? 67 BC3 4 CYS A 72 ? CYS A 72 . ? 1_555 ? 68 BC3 4 SER A 73 ? SER A 73 . ? 1_555 ? 69 BC3 4 NAG E . ? NAG A 261 . ? 1_555 ? 70 BC3 4 HOH T . ? HOH A 963 . ? 1_555 ? 71 BC4 7 ARG A 18 ? ARG A 18 . ? 1_555 ? 72 BC4 7 ASN A 19 ? ASN A 19 . ? 1_555 ? 73 BC4 7 ARG A 103 ? ARG A 103 . ? 5_554 ? 74 BC4 7 THR A 108 ? THR A 108 . ? 5_554 ? 75 BC4 7 ILE A 109 ? ILE A 109 . ? 5_554 ? 76 BC4 7 HOH T . ? HOH A 1042 . ? 1_555 ? 77 BC4 7 HOH T . ? HOH A 1150 . ? 1_555 ? 78 BC5 12 THR A 161 ? THR A 161 . ? 1_555 ? 79 BC5 12 SER A 162 ? SER A 162 . ? 1_555 ? 80 BC5 12 SER A 162 ? SER A 162 . ? 6_555 ? 81 BC5 12 LEU A 163 ? LEU A 163 . ? 6_555 ? 82 BC5 12 LEU A 163 ? LEU A 163 . ? 1_555 ? 83 BC5 12 GLN A 164 ? GLN A 164 . ? 6_555 ? 84 BC5 12 GLN A 164 ? GLN A 164 . ? 1_555 ? 85 BC5 12 HOH T . ? HOH A 1017 . ? 6_555 ? 86 BC5 12 HOH T . ? HOH A 1017 . ? 1_555 ? 87 BC5 12 HOH T . ? HOH A 1076 . ? 1_555 ? 88 BC5 12 HOH T . ? HOH A 1256 . ? 6_555 ? 89 BC5 12 HOH T . ? HOH A 1256 . ? 1_555 ? 90 BC6 8 ARG A 37 ? ARG A 37 . ? 1_555 ? 91 BC6 8 GLY A 53 ? GLY A 53 . ? 1_555 ? 92 BC6 8 HOH T . ? HOH A 934 . ? 1_555 ? 93 BC6 8 HOH T . ? HOH A 938 . ? 1_555 ? 94 BC6 8 HOH T . ? HOH A 981 . ? 1_555 ? 95 BC6 8 HOH T . ? HOH A 1090 . ? 1_555 ? 96 BC6 8 HOH T . ? HOH A 1134 . ? 1_555 ? 97 BC6 8 HOH T . ? HOH A 1167 . ? 1_555 ? 98 BC7 8 THR A 4 ? THR A 4 . ? 1_555 ? 99 BC7 8 ARG A 37 ? ARG A 37 . ? 1_555 ? 100 BC7 8 ARG A 40 ? ARG A 40 . ? 1_555 ? 101 BC7 8 ASN A 151 ? ASN A 151 . ? 12_555 ? 102 BC7 8 GLU A 159 ? GLU A 159 . ? 16_555 ? 103 BC7 8 HOH T . ? HOH A 1087 . ? 12_555 ? 104 BC7 8 HOH T . ? HOH A 1096 . ? 1_555 ? 105 BC7 8 HOH T . ? HOH A 1154 . ? 1_555 ? 106 BC8 5 ALA A 75 ? ALA A 75 . ? 1_555 ? 107 BC8 5 ALA A 76 ? ALA A 76 . ? 1_555 ? 108 BC8 5 GLU A 77 ? GLU A 77 . ? 1_555 ? 109 BC8 5 HOH T . ? HOH A 1080 . ? 1_555 ? 110 BC8 5 HOH T . ? HOH A 1089 . ? 1_555 ? 111 BC9 5 GLY A 25 ? GLY A 25 . ? 1_555 ? 112 BC9 5 ASN A 59 ? ASN A 59 . ? 1_555 ? 113 BC9 5 ASN A 59 ? ASN A 59 . ? 5_554 ? 114 BC9 5 VAL A 68 ? VAL A 68 . ? 1_555 ? 115 BC9 5 PHE A 70 ? PHE A 70 . ? 1_555 ? # _database_PDB_matrix.entry_id 3CA4 _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 3CA4 _atom_sites.fract_transf_matrix[1][1] 0.007929 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.007929 _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] 0.013151 _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 . THR A 1 1 ? 39.982 -12.423 17.141 1.00 41.28 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 39.738 -11.134 17.854 1.00 36.65 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 39.436 -10.072 16.786 1.00 34.13 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 40.035 -10.119 15.693 1.00 36.01 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 40.970 -10.741 18.695 1.00 41.70 ? 1 THR A CB 1 ATOM 6 N N . SER A 1 2 ? 38.495 -9.162 17.056 1.00 26.30 ? 2 SER A N 1 ATOM 7 C CA . SER A 1 2 ? 38.175 -8.164 16.050 1.00 20.40 ? 2 SER A CA 1 ATOM 8 C C . SER A 1 2 ? 38.038 -6.771 16.639 1.00 14.59 ? 2 SER A C 1 ATOM 9 O O . SER A 1 2 ? 37.712 -6.585 17.821 1.00 18.64 ? 2 SER A O 1 ATOM 10 C CB . SER A 1 2 ? 36.902 -8.527 15.283 1.00 26.92 ? 2 SER A CB 1 ATOM 11 O OG . SER A 1 2 ? 35.766 -8.311 16.071 1.00 30.91 ? 2 SER A OG 1 ATOM 12 N N . PHE A 1 3 ? 38.271 -5.765 15.796 1.00 12.60 ? 3 PHE A N 1 ATOM 13 C CA . PHE A 1 3 ? 38.154 -4.385 16.247 1.00 12.01 ? 3 PHE A CA 1 ATOM 14 C C . PHE A 1 3 ? 37.724 -3.592 15.011 1.00 10.14 ? 3 PHE A C 1 ATOM 15 O O . PHE A 1 3 ? 37.983 -4.014 13.858 1.00 12.23 ? 3 PHE A O 1 ATOM 16 C CB . PHE A 1 3 ? 39.479 -3.861 16.794 1.00 12.73 ? 3 PHE A CB 1 ATOM 17 C CG . PHE A 1 3 ? 40.604 -3.844 15.791 1.00 11.94 ? 3 PHE A CG 1 ATOM 18 C CD1 . PHE A 1 3 ? 40.945 -2.671 15.095 1.00 12.36 ? 3 PHE A CD1 1 ATOM 19 C CD2 . PHE A 1 3 ? 41.338 -5.009 15.550 1.00 13.38 ? 3 PHE A CD2 1 ATOM 20 C CE1 . PHE A 1 3 ? 42.006 -2.702 14.133 1.00 15.11 ? 3 PHE A CE1 1 ATOM 21 C CE2 . PHE A 1 3 ? 42.382 -5.024 14.617 1.00 16.68 ? 3 PHE A CE2 1 ATOM 22 C CZ . PHE A 1 3 ? 42.719 -3.903 13.941 1.00 13.20 ? 3 PHE A CZ 1 ATOM 23 N N . THR A 1 4 ? 37.125 -2.425 15.234 1.00 9.81 ? 4 THR A N 1 ATOM 24 C CA . THR A 1 4 ? 36.472 -1.702 14.124 1.00 8.95 ? 4 THR A CA 1 ATOM 25 C C . THR A 1 4 ? 36.997 -0.271 14.074 1.00 10.10 ? 4 THR A C 1 ATOM 26 O O . THR A 1 4 ? 37.219 0.370 15.141 1.00 10.32 ? 4 THR A O 1 ATOM 27 C CB . THR A 1 4 ? 34.923 -1.696 14.375 1.00 11.78 ? 4 THR A CB 1 ATOM 28 O OG1 . THR A 1 4 ? 34.466 -3.069 14.528 1.00 10.83 ? 4 THR A OG1 1 ATOM 29 C CG2 . THR A 1 4 ? 34.171 -0.972 13.221 1.00 10.59 ? 4 THR A CG2 1 ATOM 30 N N . ARG A 1 5 ? 37.252 0.223 12.852 1.00 10.84 ? 5 ARG A N 1 ATOM 31 C CA . ARG A 1 5 ? 37.887 1.505 12.620 1.00 8.29 ? 5 ARG A CA 1 ATOM 32 C C . ARG A 1 5 ? 37.342 2.082 11.320 1.00 9.66 ? 5 ARG A C 1 ATOM 33 O O . ARG A 1 5 ? 36.692 1.365 10.553 1.00 11.22 ? 5 ARG A O 1 ATOM 34 C CB . ARG A 1 5 ? 39.409 1.338 12.440 1.00 11.75 ? 5 ARG A CB 1 ATOM 35 C CG . ARG A 1 5 ? 40.090 0.742 13.676 1.00 12.19 ? 5 ARG A CG 1 ATOM 36 C CD . ARG A 1 5 ? 40.085 1.776 14.812 1.00 11.74 ? 5 ARG A CD 1 ATOM 37 N NE . ARG A 1 5 ? 40.967 1.419 15.953 1.00 11.43 ? 5 ARG A NE 1 ATOM 38 C CZ . ARG A 1 5 ? 40.586 0.740 17.049 1.00 10.79 ? 5 ARG A CZ 1 ATOM 39 N NH1 . ARG A 1 5 ? 39.314 0.306 17.220 1.00 11.62 ? 5 ARG A NH1 1 ATOM 40 N NH2 . ARG A 1 5 ? 41.488 0.531 18.006 1.00 13.58 ? 5 ARG A NH2 1 ATOM 41 N N . ASN A 1 6 ? 37.620 3.367 11.069 1.00 8.79 ? 6 ASN A N 1 ATOM 42 C CA . ASN A 1 6 ? 37.524 3.886 9.705 1.00 8.19 ? 6 ASN A CA 1 ATOM 43 C C . ASN A 1 6 ? 38.812 3.584 8.952 1.00 8.35 ? 6 ASN A C 1 ATOM 44 O O . ASN A 1 6 ? 39.842 3.235 9.588 1.00 9.63 ? 6 ASN A O 1 ATOM 45 C CB . ASN A 1 6 ? 37.296 5.423 9.709 1.00 8.92 ? 6 ASN A CB 1 ATOM 46 C CG . ASN A 1 6 ? 35.853 5.798 10.008 1.00 9.20 ? 6 ASN A CG 1 ATOM 47 O OD1 . ASN A 1 6 ? 35.354 5.504 11.079 1.00 12.73 ? 6 ASN A OD1 1 ATOM 48 N ND2 . ASN A 1 6 ? 35.184 6.462 9.055 1.00 10.16 ? 6 ASN A ND2 1 ATOM 49 N N . ILE A 1 7 ? 38.784 3.738 7.616 1.00 7.98 ? 7 ILE A N 1 ATOM 50 C CA . ILE A 1 7 ? 40.070 3.611 6.861 1.00 7.45 ? 7 ILE A CA 1 ATOM 51 C C . ILE A 1 7 ? 40.211 4.890 6.065 1.00 8.09 ? 7 ILE A C 1 ATOM 52 O O . ILE A 1 7 ? 39.357 5.191 5.178 1.00 9.60 ? 7 ILE A O 1 ATOM 53 C CB . ILE A 1 7 ? 40.089 2.415 5.869 1.00 8.79 ? 7 ILE A CB 1 ATOM 54 C CG1 . ILE A 1 7 ? 39.844 1.072 6.603 1.00 9.32 ? 7 ILE A CG1 1 ATOM 55 C CG2 . ILE A 1 7 ? 41.441 2.350 5.104 1.00 9.85 ? 7 ILE A CG2 1 ATOM 56 C CD1 . ILE A 1 7 ? 39.584 -0.130 5.640 1.00 10.05 ? 7 ILE A CD1 1 ATOM 57 N N . VAL A 1 8 ? 41.221 5.684 6.410 1.00 7.49 ? 8 VAL A N 1 ATOM 58 C CA . VAL A 1 8 ? 41.414 7.005 5.759 1.00 8.27 ? 8 VAL A CA 1 ATOM 59 C C . VAL A 1 8 ? 42.465 6.863 4.660 1.00 9.38 ? 8 VAL A C 1 ATOM 60 O O . VAL A 1 8 ? 43.491 6.241 4.906 1.00 10.76 ? 8 VAL A O 1 ATOM 61 C CB . VAL A 1 8 ? 41.861 8.066 6.809 1.00 9.30 ? 8 VAL A CB 1 ATOM 62 C CG1 . VAL A 1 8 ? 42.001 9.483 6.145 1.00 10.86 ? 8 VAL A CG1 1 ATOM 63 C CG2 . VAL A 1 8 ? 40.918 8.073 8.065 1.00 9.44 ? 8 VAL A CG2 1 ATOM 64 N N . GLY A 1 9 ? 42.259 7.476 3.481 1.00 8.27 ? 9 GLY A N 1 ATOM 65 C CA . GLY A 1 9 ? 43.264 7.399 2.398 1.00 9.80 ? 9 GLY A CA 1 ATOM 66 C C . GLY A 1 9 ? 43.324 8.739 1.689 1.00 8.56 ? 9 GLY A C 1 ATOM 67 O O . GLY A 1 9 ? 43.319 9.818 2.340 1.00 10.12 ? 9 GLY A O 1 ATOM 68 N N . ARG A 1 10 ? 43.368 8.654 0.344 1.00 9.62 ? 10 ARG A N 1 ATOM 69 C CA . ARG A 1 10 ? 43.711 9.785 -0.490 1.00 8.02 ? 10 ARG A CA 1 ATOM 70 C C . ARG A 1 10 ? 42.960 11.063 -0.122 1.00 7.96 ? 10 ARG A C 1 ATOM 71 O O . ARG A 1 10 ? 41.730 11.039 -0.007 1.00 9.78 ? 10 ARG A O 1 ATOM 72 C CB . ARG A 1 10 ? 43.475 9.424 -1.956 1.00 9.14 ? 10 ARG A CB 1 ATOM 73 C CG . ARG A 1 10 ? 44.073 10.450 -2.946 1.00 10.59 ? 10 ARG A CG 1 ATOM 74 C CD . ARG A 1 10 ? 44.070 9.948 -4.380 1.00 9.68 ? 10 ARG A CD 1 ATOM 75 N NE . ARG A 1 10 ? 44.744 10.935 -5.218 1.00 12.55 ? 10 ARG A NE 1 ATOM 76 C CZ . ARG A 1 10 ? 45.108 10.716 -6.498 1.00 10.44 ? 10 ARG A CZ 1 ATOM 77 N NH1 . ARG A 1 10 ? 44.810 9.563 -7.127 1.00 12.61 ? 10 ARG A NH1 1 ATOM 78 N NH2 . ARG A 1 10 ? 45.731 11.697 -7.191 1.00 13.95 ? 10 ARG A NH2 1 ATOM 79 N N . ASP A 1 11 ? 43.695 12.166 0.083 1.00 10.09 ? 11 ASP A N 1 ATOM 80 C CA . ASP A 1 11 ? 43.102 13.470 0.393 1.00 10.70 ? 11 ASP A CA 1 ATOM 81 C C . ASP A 1 11 ? 42.306 13.476 1.731 1.00 8.39 ? 11 ASP A C 1 ATOM 82 O O . ASP A 1 11 ? 41.501 14.389 1.971 1.00 11.69 ? 11 ASP A O 1 ATOM 83 C CB . ASP A 1 11 ? 42.228 13.964 -0.784 1.00 11.37 ? 11 ASP A CB 1 ATOM 84 C CG . ASP A 1 11 ? 43.042 14.605 -1.875 1.00 23.35 ? 11 ASP A CG 1 ATOM 85 O OD1 . ASP A 1 11 ? 44.311 14.378 -1.919 1.00 18.21 ? 11 ASP A OD1 1 ATOM 86 O OD2 . ASP A 1 11 ? 42.412 15.399 -2.658 1.00 26.26 ? 11 ASP A OD2 1 ATOM 87 N N . GLY A 1 12 ? 42.536 12.453 2.587 1.00 9.01 ? 12 GLY A N 1 ATOM 88 C CA . GLY A 1 12 ? 41.867 12.427 3.879 1.00 10.81 ? 12 GLY A CA 1 ATOM 89 C C . GLY A 1 12 ? 40.435 11.916 3.779 1.00 9.09 ? 12 GLY A C 1 ATOM 90 O O . GLY A 1 12 ? 39.701 11.925 4.802 1.00 10.43 ? 12 GLY A O 1 ATOM 91 N N . LEU A 1 13 ? 40.041 11.412 2.596 1.00 9.31 ? 13 LEU A N 1 ATOM 92 C CA . LEU A 1 13 ? 38.711 10.786 2.440 1.00 9.60 ? 13 LEU A CA 1 ATOM 93 C C . LEU A 1 13 ? 38.757 9.348 2.931 1.00 9.47 ? 13 LEU A C 1 ATOM 94 O O . LEU A 1 13 ? 39.831 8.770 3.104 1.00 10.07 ? 13 LEU A O 1 ATOM 95 C CB . LEU A 1 13 ? 38.261 10.853 0.951 1.00 7.43 ? 13 LEU A CB 1 ATOM 96 C CG . LEU A 1 13 ? 38.196 12.268 0.364 1.00 13.66 ? 13 LEU A CG 1 ATOM 97 C CD1 . LEU A 1 13 ? 37.831 12.151 -1.137 1.00 16.56 ? 13 LEU A CD1 1 ATOM 98 C CD2 . LEU A 1 13 ? 37.214 13.093 1.137 1.00 18.14 ? 13 LEU A CD2 1 ATOM 99 N N . CYS A 1 14 ? 37.597 8.774 3.199 1.00 7.90 ? 14 CYS A N 1 ATOM 100 C CA . CYS A 1 14 ? 37.506 7.440 3.805 1.00 8.43 ? 14 CYS A CA 1 ATOM 101 C C . CYS A 1 14 ? 36.986 6.409 2.823 1.00 8.08 ? 14 CYS A C 1 ATOM 102 O O . CYS A 1 14 ? 36.222 6.739 1.890 1.00 8.71 ? 14 CYS A O 1 ATOM 103 C CB . CYS A 1 14 ? 36.569 7.444 5.021 1.00 10.68 ? 14 CYS A CB 1 ATOM 104 S SG . CYS A 1 14 ? 37.357 7.939 6.567 1.00 9.46 ? 14 CYS A SG 1 ATOM 105 N N . VAL A 1 15 ? 37.373 5.162 3.072 1.00 7.13 ? 15 VAL A N 1 ATOM 106 C CA . VAL A 1 15 ? 36.876 4.012 2.322 1.00 7.69 ? 15 VAL A CA 1 ATOM 107 C C . VAL A 1 15 ? 35.417 3.784 2.692 1.00 7.57 ? 15 VAL A C 1 ATOM 108 O O . VAL A 1 15 ? 35.060 3.647 3.892 1.00 8.43 ? 15 VAL A O 1 ATOM 109 C CB . VAL A 1 15 ? 37.688 2.757 2.659 1.00 8.62 ? 15 VAL A CB 1 ATOM 110 C CG1 . VAL A 1 15 ? 37.134 1.511 1.952 1.00 10.46 ? 15 VAL A CG1 1 ATOM 111 C CG2 . VAL A 1 15 ? 39.086 2.955 2.256 1.00 8.37 ? 15 VAL A CG2 1 ATOM 112 N N . ASP A 1 16 ? 34.565 3.756 1.669 1.00 8.76 ? 16 ASP A N 1 ATOM 113 C CA . ASP A 1 16 ? 33.103 3.910 1.893 1.00 7.98 ? 16 ASP A CA 1 ATOM 114 C C . ASP A 1 16 ? 32.379 3.003 0.931 1.00 9.22 ? 16 ASP A C 1 ATOM 115 O O . ASP A 1 16 ? 32.717 2.957 -0.270 1.00 10.20 ? 16 ASP A O 1 ATOM 116 C CB . ASP A 1 16 ? 32.808 5.398 1.568 1.00 9.36 ? 16 ASP A CB 1 ATOM 117 C CG . ASP A 1 16 ? 31.317 5.766 1.635 1.00 10.14 ? 16 ASP A CG 1 ATOM 118 O OD1 . ASP A 1 16 ? 30.570 5.337 0.726 1.00 11.31 ? 16 ASP A OD1 1 ATOM 119 O OD2 . ASP A 1 16 ? 30.909 6.510 2.602 1.00 10.25 ? 16 ASP A OD2 1 ATOM 120 N N . VAL A 1 17 ? 31.443 2.191 1.426 1.00 8.98 ? 17 VAL A N 1 ATOM 121 C CA . VAL A 1 17 ? 30.678 1.324 0.514 1.00 8.68 ? 17 VAL A CA 1 ATOM 122 C C . VAL A 1 17 ? 29.621 2.203 -0.176 1.00 10.08 ? 17 VAL A C 1 ATOM 123 O O . VAL A 1 17 ? 28.791 2.811 0.498 1.00 11.27 ? 17 VAL A O 1 ATOM 124 C CB . VAL A 1 17 ? 30.017 0.122 1.225 1.00 9.54 ? 17 VAL A CB 1 ATOM 125 C CG1 . VAL A 1 17 ? 29.406 -0.816 0.130 1.00 12.47 ? 17 VAL A CG1 1 ATOM 126 C CG2 . VAL A 1 17 ? 31.046 -0.649 2.066 1.00 9.79 ? 17 VAL A CG2 1 ATOM 127 N N . ARG A 1 18 ? 29.674 2.264 -1.518 1.00 11.06 ? 18 ARG A N 1 ATOM 128 C CA . ARG A 1 18 ? 28.953 3.299 -2.293 1.00 10.07 ? 18 ARG A CA 1 ATOM 129 C C . ARG A 1 18 ? 27.443 3.366 -1.989 1.00 11.12 ? 18 ARG A C 1 ATOM 130 O O . ARG A 1 18 ? 26.732 2.365 -2.129 1.00 14.79 ? 18 ARG A O 1 ATOM 131 C CB . ARG A 1 18 ? 29.195 3.079 -3.786 1.00 9.71 ? 18 ARG A CB 1 ATOM 132 C CG . ARG A 1 18 ? 28.818 4.300 -4.659 1.00 8.72 ? 18 ARG A CG 1 ATOM 133 C CD . ARG A 1 18 ? 29.341 4.054 -6.061 1.00 11.45 ? 18 ARG A CD 1 ATOM 134 N NE . ARG A 1 18 ? 29.108 5.130 -7.049 1.00 13.19 ? 18 ARG A NE 1 ATOM 135 C CZ . ARG A 1 18 ? 30.033 5.987 -7.497 1.00 11.23 ? 18 ARG A CZ 1 ATOM 136 N NH1 . ARG A 1 18 ? 29.752 6.829 -8.511 1.00 14.31 ? 18 ARG A NH1 1 ATOM 137 N NH2 . ARG A 1 18 ? 31.243 6.002 -6.957 1.00 12.10 ? 18 ARG A NH2 1 ATOM 138 N N . ASN A 1 19 ? 26.988 4.562 -1.595 1.00 11.25 ? 19 ASN A N 1 ATOM 139 C CA . ASN A 1 19 ? 25.578 4.826 -1.233 1.00 14.22 ? 19 ASN A CA 1 ATOM 140 C C . ASN A 1 19 ? 25.047 4.035 -0.037 1.00 13.18 ? 19 ASN A C 1 ATOM 141 O O . ASN A 1 19 ? 23.825 3.970 0.215 1.00 14.89 ? 19 ASN A O 1 ATOM 142 C CB . ASN A 1 19 ? 24.689 4.669 -2.464 1.00 16.46 ? 19 ASN A CB 1 ATOM 143 C CG . ASN A 1 19 ? 25.063 5.678 -3.528 1.00 14.54 ? 19 ASN A CG 1 ATOM 144 O OD1 . ASN A 1 19 ? 25.312 6.888 -3.223 1.00 17.57 ? 19 ASN A OD1 1 ATOM 145 N ND2 . ASN A 1 19 ? 25.151 5.212 -4.767 1.00 17.64 ? 19 ASN A ND2 1 ATOM 146 N N . GLY A 1 20 ? 25.954 3.449 0.729 1.00 14.16 ? 20 GLY A N 1 ATOM 147 C CA . GLY A 1 20 ? 25.556 2.667 1.911 1.00 12.88 ? 20 GLY A CA 1 ATOM 148 C C . GLY A 1 20 ? 24.862 1.361 1.564 1.00 12.96 ? 20 GLY A C 1 ATOM 149 O O . GLY A 1 20 ? 24.354 0.708 2.471 1.00 18.11 ? 20 GLY A O 1 ATOM 150 N N . TYR A 1 21 ? 24.872 0.951 0.274 1.00 12.61 ? 21 TYR A N 1 ATOM 151 C CA . TYR A 1 21 ? 24.272 -0.326 -0.123 1.00 15.13 ? 21 TYR A CA 1 ATOM 152 C C . TYR A 1 21 ? 25.127 -1.483 0.360 1.00 14.47 ? 21 TYR A C 1 ATOM 153 O O . TYR A 1 21 ? 26.354 -1.402 0.263 1.00 17.46 ? 21 TYR A O 1 ATOM 154 C CB . TYR A 1 21 ? 24.063 -0.388 -1.655 1.00 19.00 ? 21 TYR A CB 1 ATOM 155 C CG . TYR A 1 21 ? 23.038 0.643 -2.103 1.00 19.79 ? 21 TYR A CG 1 ATOM 156 C CD1 . TYR A 1 21 ? 22.093 1.133 -1.212 1.00 22.83 ? 21 TYR A CD1 1 ATOM 157 C CD2 . TYR A 1 21 ? 23.045 1.147 -3.387 1.00 34.15 ? 21 TYR A CD2 1 ATOM 158 C CE1 . TYR A 1 21 ? 21.141 2.107 -1.616 1.00 32.25 ? 21 TYR A CE1 1 ATOM 159 C CE2 . TYR A 1 21 ? 22.117 2.095 -3.787 1.00 39.47 ? 21 TYR A CE2 1 ATOM 160 C CZ . TYR A 1 21 ? 21.186 2.580 -2.898 1.00 23.54 ? 21 TYR A CZ 1 ATOM 161 O OH . TYR A 1 21 ? 20.246 3.537 -3.349 1.00 36.04 ? 21 TYR A OH 1 ATOM 162 N N . ASP A 1 22 ? 24.491 -2.533 0.870 1.00 15.57 ? 22 ASP A N 1 ATOM 163 C CA . ASP A 1 22 ? 25.201 -3.760 1.220 1.00 14.62 ? 22 ASP A CA 1 ATOM 164 C C . ASP A 1 22 ? 24.995 -4.892 0.213 1.00 12.20 ? 22 ASP A C 1 ATOM 165 O O . ASP A 1 22 ? 25.366 -6.017 0.497 1.00 15.11 ? 22 ASP A O 1 ATOM 166 C CB . ASP A 1 22 ? 24.894 -4.237 2.653 1.00 16.65 ? 22 ASP A CB 1 ATOM 167 C CG . ASP A 1 22 ? 23.504 -4.783 2.817 1.00 20.02 ? 22 ASP A CG 1 ATOM 168 O OD1 . ASP A 1 22 ? 22.701 -4.739 1.864 1.00 21.29 ? 22 ASP A OD1 1 ATOM 169 O OD2 . ASP A 1 22 ? 23.174 -5.256 3.936 1.00 26.24 ? 22 ASP A OD2 1 ATOM 170 N N A THR A 1 23 ? 24.442 -4.563 -0.962 0.50 14.62 ? 23 THR A N 1 ATOM 171 N N B THR A 1 23 ? 24.395 -4.620 -0.946 0.50 15.37 ? 23 THR A N 1 ATOM 172 C CA A THR A 1 23 ? 24.262 -5.536 -2.044 0.50 11.38 ? 23 THR A CA 1 ATOM 173 C CA B THR A 1 23 ? 24.171 -5.704 -1.907 0.50 14.17 ? 23 THR A CA 1 ATOM 174 C C A THR A 1 23 ? 25.613 -6.101 -2.511 0.50 13.07 ? 23 THR A C 1 ATOM 175 C C B THR A 1 23 ? 25.515 -6.115 -2.520 0.50 15.46 ? 23 THR A C 1 ATOM 176 O O A THR A 1 23 ? 26.587 -5.342 -2.691 0.50 10.90 ? 23 THR A O 1 ATOM 177 O O B THR A 1 23 ? 26.384 -5.263 -2.802 0.50 15.45 ? 23 THR A O 1 ATOM 178 C CB A THR A 1 23 ? 23.428 -4.926 -3.229 0.50 12.76 ? 23 THR A CB 1 ATOM 179 C CB B THR A 1 23 ? 23.110 -5.331 -2.972 0.50 20.32 ? 23 THR A CB 1 ATOM 180 O OG1 A THR A 1 23 ? 22.966 -5.977 -4.080 0.50 17.67 ? 23 THR A OG1 1 ATOM 181 O OG1 B THR A 1 23 ? 23.742 -4.943 -4.191 0.50 22.33 ? 23 THR A OG1 1 ATOM 182 C CG2 A THR A 1 23 ? 24.168 -3.930 -4.029 0.50 11.82 ? 23 THR A CG2 1 ATOM 183 C CG2 B THR A 1 23 ? 22.261 -4.194 -2.473 0.50 9.84 ? 23 THR A CG2 1 ATOM 184 N N . ASP A 1 24 ? 25.697 -7.423 -2.676 1.00 13.12 ? 24 ASP A N 1 ATOM 185 C CA . ASP A 1 24 ? 26.940 -7.995 -3.218 1.00 11.06 ? 24 ASP A CA 1 ATOM 186 C C . ASP A 1 24 ? 27.389 -7.242 -4.490 1.00 11.91 ? 24 ASP A C 1 ATOM 187 O O . ASP A 1 24 ? 26.588 -6.988 -5.423 1.00 13.85 ? 24 ASP A O 1 ATOM 188 C CB . ASP A 1 24 ? 26.713 -9.465 -3.547 1.00 14.52 ? 24 ASP A CB 1 ATOM 189 C CG . ASP A 1 24 ? 26.636 -10.349 -2.338 1.00 15.50 ? 24 ASP A CG 1 ATOM 190 O OD1 . ASP A 1 24 ? 27.034 -9.920 -1.230 1.00 14.85 ? 24 ASP A OD1 1 ATOM 191 O OD2 . ASP A 1 24 ? 26.195 -11.519 -2.554 1.00 19.25 ? 24 ASP A OD2 1 ATOM 192 N N . GLY A 1 25 ? 28.662 -6.887 -4.551 1.00 11.23 ? 25 GLY A N 1 ATOM 193 C CA . GLY A 1 25 ? 29.196 -6.243 -5.724 1.00 13.31 ? 25 GLY A CA 1 ATOM 194 C C . GLY A 1 25 ? 29.251 -4.741 -5.628 1.00 11.09 ? 25 GLY A C 1 ATOM 195 O O . GLY A 1 25 ? 29.744 -4.077 -6.567 1.00 11.95 ? 25 GLY A O 1 ATOM 196 N N . THR A 1 26 ? 28.698 -4.165 -4.555 1.00 9.64 ? 26 THR A N 1 ATOM 197 C CA . THR A 1 26 ? 28.664 -2.675 -4.498 1.00 10.07 ? 26 THR A CA 1 ATOM 198 C C . THR A 1 26 ? 30.097 -2.209 -4.386 1.00 9.25 ? 26 THR A C 1 ATOM 199 O O . THR A 1 26 ? 30.829 -2.646 -3.496 1.00 10.79 ? 26 THR A O 1 ATOM 200 C CB . THR A 1 26 ? 27.883 -2.173 -3.287 1.00 9.07 ? 26 THR A CB 1 ATOM 201 O OG1 . THR A 1 26 ? 26.516 -2.636 -3.389 1.00 10.45 ? 26 THR A OG1 1 ATOM 202 C CG2 . THR A 1 26 ? 27.901 -0.664 -3.170 1.00 10.12 ? 26 THR A CG2 1 ATOM 203 N N . PRO A 1 27 ? 30.511 -1.274 -5.251 1.00 8.27 ? 27 PRO A N 1 ATOM 204 C CA . PRO A 1 27 ? 31.916 -0.823 -5.166 1.00 9.36 ? 27 PRO A CA 1 ATOM 205 C C . PRO A 1 27 ? 32.280 -0.081 -3.908 1.00 9.65 ? 27 PRO A C 1 ATOM 206 O O . PRO A 1 27 ? 31.429 0.603 -3.286 1.00 10.19 ? 27 PRO A O 1 ATOM 207 C CB . PRO A 1 27 ? 32.073 0.097 -6.379 1.00 12.83 ? 27 PRO A CB 1 ATOM 208 C CG . PRO A 1 27 ? 30.832 -0.067 -7.193 1.00 18.77 ? 27 PRO A CG 1 ATOM 209 C CD . PRO A 1 27 ? 29.778 -0.684 -6.383 1.00 11.35 ? 27 PRO A CD 1 ATOM 210 N N . LEU A 1 28 ? 33.570 -0.140 -3.555 1.00 9.02 ? 28 LEU A N 1 ATOM 211 C CA . LEU A 1 28 ? 34.119 0.764 -2.556 1.00 8.16 ? 28 LEU A CA 1 ATOM 212 C C . LEU A 1 28 ? 34.584 2.035 -3.246 1.00 8.88 ? 28 LEU A C 1 ATOM 213 O O . LEU A 1 28 ? 35.089 2.007 -4.388 1.00 9.12 ? 28 LEU A O 1 ATOM 214 C CB . LEU A 1 28 ? 35.267 0.099 -1.801 1.00 9.17 ? 28 LEU A CB 1 ATOM 215 C CG . LEU A 1 28 ? 34.926 -1.257 -1.128 1.00 12.20 ? 28 LEU A CG 1 ATOM 216 C CD1 . LEU A 1 28 ? 36.045 -1.601 -0.118 1.00 12.82 ? 28 LEU A CD1 1 ATOM 217 C CD2 . LEU A 1 28 ? 33.558 -1.406 -0.572 1.00 14.71 ? 28 LEU A CD2 1 ATOM 218 N N . GLN A 1 29 ? 34.476 3.160 -2.543 1.00 8.59 ? 29 GLN A N 1 ATOM 219 C CA . GLN A 1 29 ? 34.843 4.433 -3.112 1.00 8.92 ? 29 GLN A CA 1 ATOM 220 C C . GLN A 1 29 ? 35.440 5.276 -1.992 1.00 9.08 ? 29 GLN A C 1 ATOM 221 O O . GLN A 1 29 ? 35.365 4.908 -0.783 1.00 9.62 ? 29 GLN A O 1 ATOM 222 C CB . GLN A 1 29 ? 33.602 5.160 -3.652 1.00 9.20 ? 29 GLN A CB 1 ATOM 223 C CG . GLN A 1 29 ? 32.681 5.607 -2.496 1.00 8.03 ? 29 GLN A CG 1 ATOM 224 C CD . GLN A 1 29 ? 31.401 6.262 -2.966 1.00 10.13 ? 29 GLN A CD 1 ATOM 225 O OE1 . GLN A 1 29 ? 31.202 6.506 -4.189 1.00 12.44 ? 29 GLN A OE1 1 ATOM 226 N NE2 . GLN A 1 29 ? 30.510 6.579 -1.998 1.00 11.83 ? 29 GLN A NE2 1 ATOM 227 N N . LEU A 1 30 ? 35.971 6.441 -2.379 1.00 9.70 ? 30 LEU A N 1 ATOM 228 C CA . LEU A 1 30 ? 36.281 7.512 -1.418 1.00 8.40 ? 30 LEU A CA 1 ATOM 229 C C . LEU A 1 30 ? 35.066 8.378 -1.131 1.00 11.69 ? 30 LEU A C 1 ATOM 230 O O . LEU A 1 30 ? 34.343 8.733 -2.047 1.00 10.36 ? 30 LEU A O 1 ATOM 231 C CB . LEU A 1 30 ? 37.362 8.449 -1.984 1.00 9.55 ? 30 LEU A CB 1 ATOM 232 C CG . LEU A 1 30 ? 38.707 7.811 -2.286 1.00 14.63 ? 30 LEU A CG 1 ATOM 233 C CD1 . LEU A 1 30 ? 39.643 8.928 -2.896 1.00 17.30 ? 30 LEU A CD1 1 ATOM 234 C CD2 . LEU A 1 30 ? 39.232 7.121 -1.050 1.00 15.82 ? 30 LEU A CD2 1 ATOM 235 N N . TRP A 1 31 ? 34.911 8.793 0.134 1.00 9.34 ? 31 TRP A N 1 ATOM 236 C CA . TRP A 1 31 ? 33.854 9.697 0.514 1.00 8.69 ? 31 TRP A CA 1 ATOM 237 C C . TRP A 1 31 ? 34.337 10.411 1.785 1.00 8.19 ? 31 TRP A C 1 ATOM 238 O O . TRP A 1 31 ? 35.033 9.794 2.595 1.00 10.20 ? 31 TRP A O 1 ATOM 239 C CB . TRP A 1 31 ? 32.589 8.887 0.778 1.00 9.89 ? 31 TRP A CB 1 ATOM 240 C CG . TRP A 1 31 ? 31.381 9.734 0.979 1.00 10.89 ? 31 TRP A CG 1 ATOM 241 C CD1 . TRP A 1 31 ? 30.718 9.989 2.169 1.00 10.07 ? 31 TRP A CD1 1 ATOM 242 C CD2 . TRP A 1 31 ? 30.715 10.501 -0.043 1.00 11.01 ? 31 TRP A CD2 1 ATOM 243 N NE1 . TRP A 1 31 ? 29.622 10.820 1.916 1.00 13.47 ? 31 TRP A NE1 1 ATOM 244 C CE2 . TRP A 1 31 ? 29.611 11.150 0.576 1.00 12.45 ? 31 TRP A CE2 1 ATOM 245 C CE3 . TRP A 1 31 ? 30.924 10.662 -1.428 1.00 14.33 ? 31 TRP A CE3 1 ATOM 246 C CZ2 . TRP A 1 31 ? 28.759 11.978 -0.123 1.00 15.36 ? 31 TRP A CZ2 1 ATOM 247 C CZ3 . TRP A 1 31 ? 30.069 11.515 -2.124 1.00 13.06 ? 31 TRP A CZ3 1 ATOM 248 C CH2 . TRP A 1 31 ? 29.001 12.163 -1.460 1.00 12.90 ? 31 TRP A CH2 1 ATOM 249 N N . PRO A 1 32 ? 33.927 11.677 2.014 1.00 9.58 ? 32 PRO A N 1 ATOM 250 C CA . PRO A 1 32 ? 34.326 12.343 3.276 1.00 9.16 ? 32 PRO A CA 1 ATOM 251 C C . PRO A 1 32 ? 34.000 11.456 4.515 1.00 9.06 ? 32 PRO A C 1 ATOM 252 O O . PRO A 1 32 ? 32.916 10.815 4.588 1.00 9.99 ? 32 PRO A O 1 ATOM 253 C CB . PRO A 1 32 ? 33.481 13.612 3.260 1.00 11.02 ? 32 PRO A CB 1 ATOM 254 C CG . PRO A 1 32 ? 33.349 13.870 1.736 1.00 12.54 ? 32 PRO A CG 1 ATOM 255 C CD . PRO A 1 32 ? 33.097 12.548 1.156 1.00 12.26 ? 32 PRO A CD 1 ATOM 256 N N . CYS A 1 33 ? 34.915 11.428 5.469 1.00 10.33 ? 33 CYS A N 1 ATOM 257 C CA . CYS A 1 33 ? 34.806 10.461 6.582 1.00 8.70 ? 33 CYS A CA 1 ATOM 258 C C . CYS A 1 33 ? 33.625 10.828 7.520 1.00 9.98 ? 33 CYS A C 1 ATOM 259 O O . CYS A 1 33 ? 33.306 12.029 7.777 1.00 12.12 ? 33 CYS A O 1 ATOM 260 C CB . CYS A 1 33 ? 36.058 10.492 7.432 1.00 9.09 ? 33 CYS A CB 1 ATOM 261 S SG . CYS A 1 33 ? 37.501 9.985 6.535 1.00 10.91 ? 33 CYS A SG 1 ATOM 262 N N . GLY A 1 34 ? 32.998 9.784 8.029 1.00 9.71 ? 34 GLY A N 1 ATOM 263 C CA . GLY A 1 34 ? 31.917 9.905 8.986 1.00 11.14 ? 34 GLY A CA 1 ATOM 264 C C . GLY A 1 34 ? 31.709 8.607 9.734 1.00 12.41 ? 34 GLY A C 1 ATOM 265 O O . GLY A 1 34 ? 32.475 7.668 9.599 1.00 12.06 ? 34 GLY A O 1 ATOM 266 N N . THR A 1 35 ? 30.644 8.560 10.530 1.00 12.42 ? 35 THR A N 1 ATOM 267 C CA . THR A 1 35 ? 30.385 7.457 11.431 1.00 12.38 ? 35 THR A CA 1 ATOM 268 C C . THR A 1 35 ? 29.441 6.422 10.812 1.00 10.53 ? 35 THR A C 1 ATOM 269 O O . THR A 1 35 ? 29.141 5.402 11.457 1.00 11.96 ? 35 THR A O 1 ATOM 270 C CB . THR A 1 35 ? 29.673 8.006 12.751 1.00 13.94 ? 35 THR A CB 1 ATOM 271 O OG1 . THR A 1 35 ? 28.478 8.715 12.340 1.00 16.58 ? 35 THR A OG1 1 ATOM 272 C CG2 . THR A 1 35 ? 30.544 8.999 13.467 1.00 19.37 ? 35 THR A CG2 1 ATOM 273 N N . GLN A 1 36 ? 28.969 6.655 9.563 1.00 11.13 ? 36 GLN A N 1 ATOM 274 C CA . GLN A 1 36 ? 28.001 5.736 8.973 1.00 10.57 ? 36 GLN A CA 1 ATOM 275 C C . GLN A 1 36 ? 28.572 4.347 8.881 1.00 10.58 ? 36 GLN A C 1 ATOM 276 O O . GLN A 1 36 ? 29.789 4.167 8.713 1.00 10.69 ? 36 GLN A O 1 ATOM 277 C CB . GLN A 1 36 ? 27.532 6.216 7.592 1.00 10.56 ? 36 GLN A CB 1 ATOM 278 C CG . GLN A 1 36 ? 28.667 6.537 6.550 1.00 10.99 ? 36 GLN A CG 1 ATOM 279 C CD . GLN A 1 36 ? 29.011 8.042 6.468 1.00 11.53 ? 36 GLN A CD 1 ATOM 280 O OE1 . GLN A 1 36 ? 29.084 8.680 5.370 1.00 17.61 ? 36 GLN A OE1 1 ATOM 281 N NE2 . GLN A 1 36 ? 29.143 8.640 7.612 1.00 11.24 ? 36 GLN A NE2 1 ATOM 282 N N . ARG A 1 37 ? 27.714 3.347 8.981 1.00 11.26 ? 37 ARG A N 1 ATOM 283 C CA . ARG A 1 37 ? 28.181 1.981 9.094 1.00 10.23 ? 37 ARG A CA 1 ATOM 284 C C . ARG A 1 37 ? 28.977 1.502 7.894 1.00 10.47 ? 37 ARG A C 1 ATOM 285 O O . ARG A 1 37 ? 29.836 0.619 8.037 1.00 10.54 ? 37 ARG A O 1 ATOM 286 C CB . ARG A 1 37 ? 27.009 1.047 9.397 1.00 13.52 ? 37 ARG A CB 1 ATOM 287 C CG . ARG A 1 37 ? 26.299 1.446 10.723 1.00 14.92 ? 37 ARG A CG 1 ATOM 288 C CD . ARG A 1 37 ? 27.296 1.717 11.892 1.00 16.87 ? 37 ARG A CD 1 ATOM 289 N NE . ARG A 1 37 ? 28.051 0.508 12.299 1.00 18.28 ? 37 ARG A NE 1 ATOM 290 C CZ . ARG A 1 37 ? 28.992 0.501 13.251 1.00 16.80 ? 37 ARG A CZ 1 ATOM 291 N NH1 . ARG A 1 37 ? 29.650 -0.629 13.523 1.00 20.85 ? 37 ARG A NH1 1 ATOM 292 N NH2 . ARG A 1 37 ? 29.183 1.587 14.013 1.00 19.36 ? 37 ARG A NH2 1 ATOM 293 N N . ASN A 1 38 ? 28.695 2.091 6.715 1.00 9.86 ? 38 ASN A N 1 ATOM 294 C CA . ASN A 1 38 ? 29.376 1.674 5.464 1.00 8.76 ? 38 ASN A CA 1 ATOM 295 C C . ASN A 1 38 ? 30.783 2.283 5.372 1.00 9.35 ? 38 ASN A C 1 ATOM 296 O O . ASN A 1 38 ? 31.448 2.173 4.308 1.00 10.52 ? 38 ASN A O 1 ATOM 297 C CB . ASN A 1 38 ? 28.515 2.015 4.227 1.00 8.70 ? 38 ASN A CB 1 ATOM 298 C CG . ASN A 1 38 ? 28.144 3.489 4.175 1.00 10.13 ? 38 ASN A CG 1 ATOM 299 O OD1 . ASN A 1 38 ? 27.562 4.028 5.152 1.00 12.85 ? 38 ASN A OD1 1 ATOM 300 N ND2 . ASN A 1 38 ? 28.508 4.178 3.058 1.00 10.80 ? 38 ASN A ND2 1 ATOM 301 N N . GLN A 1 39 ? 31.197 2.971 6.447 1.00 9.01 ? 39 GLN A N 1 ATOM 302 C CA . GLN A 1 39 ? 32.598 3.406 6.599 1.00 8.86 ? 39 GLN A CA 1 ATOM 303 C C . GLN A 1 39 ? 33.261 2.769 7.848 1.00 10.21 ? 39 GLN A C 1 ATOM 304 O O . GLN A 1 39 ? 34.400 3.096 8.126 1.00 9.25 ? 39 GLN A O 1 ATOM 305 C CB . GLN A 1 39 ? 32.727 4.890 6.754 1.00 9.92 ? 39 GLN A CB 1 ATOM 306 C CG . GLN A 1 39 ? 32.532 5.636 5.411 1.00 11.43 ? 39 GLN A CG 1 ATOM 307 C CD . GLN A 1 39 ? 32.948 7.096 5.510 1.00 8.65 ? 39 GLN A CD 1 ATOM 308 O OE1 . GLN A 1 39 ? 33.642 7.486 6.469 1.00 10.05 ? 39 GLN A OE1 1 ATOM 309 N NE2 . GLN A 1 39 ? 32.489 7.931 4.556 1.00 11.10 ? 39 GLN A NE2 1 ATOM 310 N N . ARG A 1 40 ? 32.563 1.863 8.558 1.00 9.10 ? 40 ARG A N 1 ATOM 311 C CA . ARG A 1 40 ? 33.127 1.241 9.746 1.00 7.79 ? 40 ARG A CA 1 ATOM 312 C C . ARG A 1 40 ? 33.559 -0.149 9.311 1.00 11.39 ? 40 ARG A C 1 ATOM 313 O O . ARG A 1 40 ? 32.722 -0.967 8.837 1.00 11.21 ? 40 ARG A O 1 ATOM 314 C CB . ARG A 1 40 ? 32.092 1.183 10.899 1.00 8.63 ? 40 ARG A CB 1 ATOM 315 C CG . ARG A 1 40 ? 31.672 2.599 11.398 1.00 9.37 ? 40 ARG A CG 1 ATOM 316 C CD . ARG A 1 40 ? 32.815 3.327 12.051 1.00 11.06 ? 40 ARG A CD 1 ATOM 317 N NE . ARG A 1 40 ? 33.296 2.654 13.282 1.00 10.52 ? 40 ARG A NE 1 ATOM 318 C CZ . ARG A 1 40 ? 34.438 2.972 13.923 1.00 10.82 ? 40 ARG A CZ 1 ATOM 319 N NH1 . ARG A 1 40 ? 35.301 3.855 13.399 1.00 12.13 ? 40 ARG A NH1 1 ATOM 320 N NH2 . ARG A 1 40 ? 34.745 2.368 15.082 1.00 11.63 ? 40 ARG A NH2 1 ATOM 321 N N . TRP A 1 41 ? 34.869 -0.402 9.464 1.00 9.71 ? 41 TRP A N 1 ATOM 322 C CA . TRP A 1 41 ? 35.487 -1.595 8.910 1.00 9.09 ? 41 TRP A CA 1 ATOM 323 C C . TRP A 1 41 ? 35.987 -2.414 10.102 1.00 9.29 ? 41 TRP A C 1 ATOM 324 O O . TRP A 1 41 ? 36.760 -1.894 10.927 1.00 9.14 ? 41 TRP A O 1 ATOM 325 C CB . TRP A 1 41 ? 36.657 -1.205 7.973 1.00 9.66 ? 41 TRP A CB 1 ATOM 326 C CG . TRP A 1 41 ? 36.104 -0.570 6.722 1.00 8.32 ? 41 TRP A CG 1 ATOM 327 C CD1 . TRP A 1 41 ? 35.996 0.767 6.458 1.00 9.36 ? 41 TRP A CD1 1 ATOM 328 C CD2 . TRP A 1 41 ? 35.533 -1.273 5.587 1.00 7.00 ? 41 TRP A CD2 1 ATOM 329 N NE1 . TRP A 1 41 ? 35.382 0.957 5.224 1.00 8.65 ? 41 TRP A NE1 1 ATOM 330 C CE2 . TRP A 1 41 ? 35.090 -0.276 4.667 1.00 9.56 ? 41 TRP A CE2 1 ATOM 331 C CE3 . TRP A 1 41 ? 35.346 -2.640 5.279 1.00 9.28 ? 41 TRP A CE3 1 ATOM 332 C CZ2 . TRP A 1 41 ? 34.493 -0.607 3.440 1.00 9.13 ? 41 TRP A CZ2 1 ATOM 333 C CZ3 . TRP A 1 41 ? 34.763 -2.996 4.056 1.00 9.34 ? 41 TRP A CZ3 1 ATOM 334 C CH2 . TRP A 1 41 ? 34.315 -1.971 3.153 1.00 10.21 ? 41 TRP A CH2 1 ATOM 335 N N . THR A 1 42 ? 35.590 -3.691 10.177 1.00 9.89 ? 42 THR A N 1 ATOM 336 C CA . THR A 1 42 ? 35.986 -4.565 11.261 1.00 9.16 ? 42 THR A CA 1 ATOM 337 C C . THR A 1 42 ? 37.072 -5.493 10.741 1.00 11.27 ? 42 THR A C 1 ATOM 338 O O . THR A 1 42 ? 36.894 -6.230 9.729 1.00 11.82 ? 42 THR A O 1 ATOM 339 C CB . THR A 1 42 ? 34.773 -5.377 11.733 1.00 11.47 ? 42 THR A CB 1 ATOM 340 O OG1 . THR A 1 42 ? 33.801 -4.470 12.271 1.00 12.77 ? 42 THR A OG1 1 ATOM 341 C CG2 . THR A 1 42 ? 35.187 -6.351 12.827 1.00 14.44 ? 42 THR A CG2 1 ATOM 342 N N . PHE A 1 43 ? 38.200 -5.451 11.443 1.00 11.97 ? 43 PHE A N 1 ATOM 343 C CA . PHE A 1 43 ? 39.374 -6.248 11.100 1.00 13.46 ? 43 PHE A CA 1 ATOM 344 C C . PHE A 1 43 ? 39.314 -7.488 11.969 1.00 16.64 ? 43 PHE A C 1 ATOM 345 O O . PHE A 1 43 ? 39.296 -7.396 13.202 1.00 15.71 ? 43 PHE A O 1 ATOM 346 C CB . PHE A 1 43 ? 40.618 -5.437 11.386 1.00 14.04 ? 43 PHE A CB 1 ATOM 347 C CG . PHE A 1 43 ? 40.786 -4.298 10.419 1.00 13.29 ? 43 PHE A CG 1 ATOM 348 C CD1 . PHE A 1 43 ? 40.004 -3.159 10.537 1.00 12.49 ? 43 PHE A CD1 1 ATOM 349 C CD2 . PHE A 1 43 ? 41.692 -4.404 9.346 1.00 14.13 ? 43 PHE A CD2 1 ATOM 350 C CE1 . PHE A 1 43 ? 40.105 -2.136 9.625 1.00 12.18 ? 43 PHE A CE1 1 ATOM 351 C CE2 . PHE A 1 43 ? 41.825 -3.375 8.425 1.00 15.07 ? 43 PHE A CE2 1 ATOM 352 C CZ . PHE A 1 43 ? 40.982 -2.240 8.532 1.00 14.34 ? 43 PHE A CZ 1 ATOM 353 N N . ASP A 1 44 ? 39.160 -8.638 11.309 1.00 17.93 ? 44 ASP A N 1 ATOM 354 C CA . ASP A 1 44 ? 39.103 -9.930 12.004 1.00 21.77 ? 44 ASP A CA 1 ATOM 355 C C . ASP A 1 44 ? 40.459 -10.636 11.909 1.00 24.41 ? 44 ASP A C 1 ATOM 356 O O . ASP A 1 44 ? 41.281 -10.351 11.004 1.00 22.17 ? 44 ASP A O 1 ATOM 357 C CB . ASP A 1 44 ? 37.984 -10.814 11.419 1.00 23.25 ? 44 ASP A CB 1 ATOM 358 C CG . ASP A 1 44 ? 36.548 -10.304 11.757 1.00 26.29 ? 44 ASP A CG 1 ATOM 359 O OD1 . ASP A 1 44 ? 36.359 -9.376 12.547 1.00 32.78 ? 44 ASP A OD1 1 ATOM 360 O OD2 . ASP A 1 44 ? 35.569 -10.860 11.229 1.00 33.53 ? 44 ASP A OD2 1 ATOM 361 N N A SER A 1 45 ? 40.681 -11.572 12.839 0.50 24.02 ? 45 SER A N 1 ATOM 362 N N B SER A 1 45 ? 40.704 -11.547 12.851 0.50 24.16 ? 45 SER A N 1 ATOM 363 C CA A SER A 1 45 ? 41.909 -12.364 12.889 0.50 25.19 ? 45 SER A CA 1 ATOM 364 C CA B SER A 1 45 ? 41.935 -12.326 12.858 0.50 25.27 ? 45 SER A CA 1 ATOM 365 C C A SER A 1 45 ? 42.104 -13.300 11.693 0.50 21.94 ? 45 SER A C 1 ATOM 366 C C B SER A 1 45 ? 42.167 -13.085 11.559 0.50 22.37 ? 45 SER A C 1 ATOM 367 O O A SER A 1 45 ? 43.170 -13.892 11.541 0.50 25.48 ? 45 SER A O 1 ATOM 368 O O B SER A 1 45 ? 43.326 -13.332 11.204 0.50 22.08 ? 45 SER A O 1 ATOM 369 C CB A SER A 1 45 ? 41.987 -13.157 14.216 0.50 24.15 ? 45 SER A CB 1 ATOM 370 C CB B SER A 1 45 ? 41.954 -13.299 14.050 0.50 24.56 ? 45 SER A CB 1 ATOM 371 O OG A SER A 1 45 ? 42.261 -12.293 15.312 0.50 26.21 ? 45 SER A OG 1 ATOM 372 O OG B SER A 1 45 ? 40.731 -13.995 14.126 0.50 25.09 ? 45 SER A OG 1 ATOM 373 N N . ASP A 1 46 ? 41.086 -13.432 10.839 1.00 20.80 ? 46 ASP A N 1 ATOM 374 C CA . ASP A 1 46 ? 41.210 -14.170 9.569 1.00 18.62 ? 46 ASP A CA 1 ATOM 375 C C . ASP A 1 46 ? 41.631 -13.306 8.341 1.00 18.50 ? 46 ASP A C 1 ATOM 376 O O . ASP A 1 46 ? 41.584 -13.760 7.197 1.00 18.51 ? 46 ASP A O 1 ATOM 377 C CB . ASP A 1 46 ? 39.912 -14.909 9.262 1.00 21.65 ? 46 ASP A CB 1 ATOM 378 C CG . ASP A 1 46 ? 38.735 -13.969 9.011 1.00 22.67 ? 46 ASP A CG 1 ATOM 379 O OD1 . ASP A 1 46 ? 38.943 -12.735 9.099 1.00 19.61 ? 46 ASP A OD1 1 ATOM 380 O OD2 . ASP A 1 46 ? 37.608 -14.468 8.735 1.00 25.00 ? 46 ASP A OD2 1 ATOM 381 N N . ASP A 1 47 ? 42.044 -12.059 8.601 1.00 14.13 ? 47 ASP A N 1 ATOM 382 C CA . ASP A 1 47 ? 42.521 -11.175 7.554 1.00 17.46 ? 47 ASP A CA 1 ATOM 383 C C . ASP A 1 47 ? 41.417 -10.661 6.652 1.00 16.16 ? 47 ASP A C 1 ATOM 384 O O . ASP A 1 47 ? 41.693 -10.162 5.563 1.00 14.88 ? 47 ASP A O 1 ATOM 385 C CB . ASP A 1 47 ? 43.591 -11.845 6.676 1.00 23.15 ? 47 ASP A CB 1 ATOM 386 C CG . ASP A 1 47 ? 44.973 -11.539 7.111 1.00 32.79 ? 47 ASP A CG 1 ATOM 387 O OD1 . ASP A 1 47 ? 45.164 -11.078 8.271 1.00 30.31 ? 47 ASP A OD1 1 ATOM 388 O OD2 . ASP A 1 47 ? 45.856 -11.793 6.249 1.00 39.53 ? 47 ASP A OD2 1 ATOM 389 N N . THR A 1 48 ? 40.181 -10.795 7.079 1.00 12.31 ? 48 THR A N 1 ATOM 390 C CA . THR A 1 48 ? 39.080 -10.131 6.348 1.00 11.61 ? 48 THR A CA 1 ATOM 391 C C . THR A 1 48 ? 38.847 -8.766 6.947 1.00 12.68 ? 48 THR A C 1 ATOM 392 O O . THR A 1 48 ? 39.206 -8.505 8.112 1.00 12.54 ? 48 THR A O 1 ATOM 393 C CB . THR A 1 48 ? 37.774 -10.944 6.409 1.00 13.88 ? 48 THR A CB 1 ATOM 394 O OG1 . THR A 1 48 ? 37.392 -11.088 7.784 1.00 14.41 ? 48 THR A OG1 1 ATOM 395 C CG2 . THR A 1 48 ? 37.993 -12.337 5.764 1.00 16.14 ? 48 THR A CG2 1 ATOM 396 N N . ILE A 1 49 ? 38.240 -7.902 6.132 1.00 11.26 ? 49 ILE A N 1 ATOM 397 C CA . ILE A 1 49 ? 37.949 -6.557 6.543 1.00 10.93 ? 49 ILE A CA 1 ATOM 398 C C . ILE A 1 49 ? 36.500 -6.351 6.177 1.00 11.89 ? 49 ILE A C 1 ATOM 399 O O . ILE A 1 49 ? 36.153 -6.437 4.991 1.00 12.05 ? 49 ILE A O 1 ATOM 400 C CB . ILE A 1 49 ? 38.823 -5.530 5.834 1.00 10.60 ? 49 ILE A CB 1 ATOM 401 C CG1 . ILE A 1 49 ? 40.321 -5.899 6.026 1.00 12.15 ? 49 ILE A CG1 1 ATOM 402 C CG2 . ILE A 1 49 ? 38.560 -4.123 6.409 1.00 12.93 ? 49 ILE A CG2 1 ATOM 403 C CD1 . ILE A 1 49 ? 41.278 -4.969 5.295 1.00 13.26 ? 49 ILE A CD1 1 ATOM 404 N N . ARG A 1 50 ? 35.654 -6.159 7.200 1.00 9.58 ? 50 ARG A N 1 ATOM 405 C CA . ARG A 1 50 ? 34.211 -6.252 6.987 1.00 11.09 ? 50 ARG A CA 1 ATOM 406 C C . ARG A 1 50 ? 33.447 -4.964 7.267 1.00 10.25 ? 50 ARG A C 1 ATOM 407 O O . ARG A 1 50 ? 33.725 -4.260 8.241 1.00 11.63 ? 50 ARG A O 1 ATOM 408 C CB . ARG A 1 50 ? 33.612 -7.385 7.845 1.00 14.43 ? 50 ARG A CB 1 ATOM 409 C CG . ARG A 1 50 ? 34.321 -8.702 7.611 1.00 15.89 ? 50 ARG A CG 1 ATOM 410 C CD . ARG A 1 50 ? 33.707 -9.852 8.349 1.00 15.32 ? 50 ARG A CD 1 ATOM 411 N NE . ARG A 1 50 ? 34.511 -11.063 8.157 1.00 16.59 ? 50 ARG A NE 1 ATOM 412 C CZ . ARG A 1 50 ? 34.025 -12.311 8.208 1.00 15.77 ? 50 ARG A CZ 1 ATOM 413 N NH1 . ARG A 1 50 ? 34.845 -13.341 8.004 1.00 19.28 ? 50 ARG A NH1 1 ATOM 414 N NH2 . ARG A 1 50 ? 32.713 -12.544 8.464 1.00 18.80 ? 50 ARG A NH2 1 ATOM 415 N N . SER A 1 51 ? 32.425 -4.685 6.442 1.00 10.50 ? 51 SER A N 1 ATOM 416 C CA . SER A 1 51 ? 31.502 -3.605 6.743 1.00 10.56 ? 51 SER A CA 1 ATOM 417 C C . SER A 1 51 ? 30.104 -4.130 6.505 1.00 12.40 ? 51 SER A C 1 ATOM 418 O O . SER A 1 51 ? 29.884 -4.891 5.540 1.00 11.12 ? 51 SER A O 1 ATOM 419 C CB . SER A 1 51 ? 31.731 -2.395 5.824 1.00 11.36 ? 51 SER A CB 1 ATOM 420 O OG . SER A 1 51 ? 30.810 -1.388 6.141 1.00 11.83 ? 51 SER A OG 1 ATOM 421 N N . MET A 1 52 ? 29.179 -3.759 7.399 1.00 12.18 ? 52 MET A N 1 ATOM 422 C CA . MET A 1 52 ? 27.780 -4.184 7.261 1.00 13.66 ? 52 MET A CA 1 ATOM 423 C C . MET A 1 52 ? 27.648 -5.720 7.152 1.00 14.67 ? 52 MET A C 1 ATOM 424 O O . MET A 1 52 ? 26.744 -6.269 6.468 1.00 17.22 ? 52 MET A O 1 ATOM 425 C CB . MET A 1 52 ? 27.123 -3.480 6.059 1.00 12.40 ? 52 MET A CB 1 ATOM 426 C CG . MET A 1 52 ? 27.092 -1.977 6.228 1.00 13.70 ? 52 MET A CG 1 ATOM 427 S SD . MET A 1 52 ? 26.414 -1.137 4.792 1.00 15.77 ? 52 MET A SD 1 ATOM 428 C CE . MET A 1 52 ? 27.587 -1.572 3.487 1.00 16.79 ? 52 MET A CE 1 ATOM 429 N N . GLY A 1 53 ? 28.564 -6.412 7.808 1.00 14.96 ? 53 GLY A N 1 ATOM 430 C CA . GLY A 1 53 ? 28.494 -7.882 7.898 1.00 14.12 ? 53 GLY A CA 1 ATOM 431 C C . GLY A 1 53 ? 29.060 -8.569 6.666 1.00 15.04 ? 53 GLY A C 1 ATOM 432 O O . GLY A 1 53 ? 29.099 -9.796 6.627 1.00 17.00 ? 53 GLY A O 1 ATOM 433 N N . LYS A 1 54 ? 29.540 -7.791 5.683 1.00 12.35 ? 54 LYS A N 1 ATOM 434 C CA . LYS A 1 54 ? 30.107 -8.371 4.434 1.00 12.74 ? 54 LYS A CA 1 ATOM 435 C C . LYS A 1 54 ? 31.587 -8.014 4.299 1.00 10.68 ? 54 LYS A C 1 ATOM 436 O O . LYS A 1 54 ? 32.113 -7.243 5.121 1.00 13.28 ? 54 LYS A O 1 ATOM 437 C CB . LYS A 1 54 ? 29.332 -7.939 3.187 1.00 13.00 ? 54 LYS A CB 1 ATOM 438 C CG . LYS A 1 54 ? 27.882 -8.489 3.261 1.00 13.08 ? 54 LYS A CG 1 ATOM 439 C CD . LYS A 1 54 ? 27.208 -8.318 1.907 1.00 13.60 ? 54 LYS A CD 1 ATOM 440 C CE . LYS A 1 54 ? 25.803 -8.892 1.942 1.00 15.12 ? 54 LYS A CE 1 ATOM 441 N NZ . LYS A 1 54 ? 25.221 -8.664 0.608 1.00 16.77 ? 54 LYS A NZ 1 ATOM 442 N N . CYS A 1 55 ? 32.262 -8.597 3.325 1.00 10.41 ? 55 CYS A N 1 ATOM 443 C CA . CYS A 1 55 ? 33.708 -8.481 3.233 1.00 10.87 ? 55 CYS A CA 1 ATOM 444 C C . CYS A 1 55 ? 34.159 -7.517 2.106 1.00 10.14 ? 55 CYS A C 1 ATOM 445 O O . CYS A 1 55 ? 33.639 -7.559 0.950 1.00 11.60 ? 55 CYS A O 1 ATOM 446 C CB . CYS A 1 55 ? 34.268 -9.870 2.889 1.00 11.30 ? 55 CYS A CB 1 ATOM 447 S SG . CYS A 1 55 ? 34.550 -10.857 4.379 1.00 14.19 ? 55 CYS A SG 1 ATOM 448 N N . MET A 1 56 ? 35.219 -6.766 2.381 1.00 10.40 ? 56 MET A N 1 ATOM 449 C CA . MET A 1 56 ? 35.964 -6.110 1.316 1.00 10.65 ? 56 MET A CA 1 ATOM 450 C C . MET A 1 56 ? 36.502 -7.223 0.402 1.00 11.47 ? 56 MET A C 1 ATOM 451 O O . MET A 1 56 ? 37.162 -8.161 0.873 1.00 11.85 ? 56 MET A O 1 ATOM 452 C CB . MET A 1 56 ? 37.127 -5.353 1.935 1.00 8.34 ? 56 MET A CB 1 ATOM 453 C CG . MET A 1 56 ? 38.028 -4.636 0.908 1.00 10.39 ? 56 MET A CG 1 ATOM 454 S SD . MET A 1 56 ? 39.407 -3.868 1.757 1.00 12.13 ? 56 MET A SD 1 ATOM 455 C CE . MET A 1 56 ? 38.600 -2.522 2.648 1.00 14.58 ? 56 MET A CE 1 ATOM 456 N N . THR A 1 57 ? 36.219 -7.121 -0.900 1.00 10.69 ? 57 THR A N 1 ATOM 457 C CA . THR A 1 57 ? 36.424 -8.227 -1.840 1.00 9.21 ? 57 THR A CA 1 ATOM 458 C C . THR A 1 57 ? 36.980 -7.702 -3.145 1.00 10.76 ? 57 THR A C 1 ATOM 459 O O . THR A 1 57 ? 36.430 -6.734 -3.732 1.00 12.06 ? 57 THR A O 1 ATOM 460 C CB . THR A 1 57 ? 35.074 -8.957 -2.144 1.00 11.41 ? 57 THR A CB 1 ATOM 461 O OG1 . THR A 1 57 ? 34.536 -9.440 -0.924 1.00 11.72 ? 57 THR A OG1 1 ATOM 462 C CG2 . THR A 1 57 ? 35.263 -10.137 -3.120 1.00 13.05 ? 57 THR A CG2 1 ATOM 463 N N . ALA A 1 58 ? 38.060 -8.306 -3.622 1.00 10.58 ? 58 ALA A N 1 ATOM 464 C CA . ALA A 1 58 ? 38.535 -7.945 -4.963 1.00 10.19 ? 58 ALA A CA 1 ATOM 465 C C . ALA A 1 58 ? 37.627 -8.617 -5.999 1.00 13.84 ? 58 ALA A C 1 ATOM 466 O O . ALA A 1 58 ? 37.498 -9.850 -5.990 1.00 14.07 ? 58 ALA A O 1 ATOM 467 C CB . ALA A 1 58 ? 39.966 -8.439 -5.149 1.00 12.56 ? 58 ALA A CB 1 ATOM 468 N N . ASN A 1 59 ? 37.050 -7.823 -6.899 1.00 16.17 ? 59 ASN A N 1 ATOM 469 C CA . ASN A 1 59 ? 36.164 -8.402 -7.926 1.00 14.67 ? 59 ASN A CA 1 ATOM 470 C C . ASN A 1 59 ? 37.072 -8.744 -9.078 1.00 15.97 ? 59 ASN A C 1 ATOM 471 O O . ASN A 1 59 ? 37.097 -8.047 -10.087 1.00 16.11 ? 59 ASN A O 1 ATOM 472 C CB . ASN A 1 59 ? 35.070 -7.387 -8.344 1.00 13.01 ? 59 ASN A CB 1 ATOM 473 C CG . ASN A 1 59 ? 34.111 -7.959 -9.334 1.00 16.21 ? 59 ASN A CG 1 ATOM 474 O OD1 . ASN A 1 59 ? 34.137 -9.155 -9.628 1.00 17.47 ? 59 ASN A OD1 1 ATOM 475 N ND2 . ASN A 1 59 ? 33.265 -7.113 -9.866 1.00 17.10 ? 59 ASN A ND2 1 ATOM 476 N N . GLY A 1 60 ? 37.854 -9.795 -8.887 1.00 19.19 ? 60 GLY A N 1 ATOM 477 C CA . GLY A 1 60 ? 38.948 -10.130 -9.780 1.00 19.16 ? 60 GLY A CA 1 ATOM 478 C C . GLY A 1 60 ? 40.277 -9.787 -9.148 1.00 17.59 ? 60 GLY A C 1 ATOM 479 O O . GLY A 1 60 ? 40.391 -8.914 -8.257 1.00 15.96 ? 60 GLY A O 1 ATOM 480 N N . LEU A 1 61 ? 41.300 -10.450 -9.637 1.00 19.08 ? 61 LEU A N 1 ATOM 481 C CA . LEU A 1 61 ? 42.651 -10.307 -9.069 1.00 17.38 ? 61 LEU A CA 1 ATOM 482 C C . LEU A 1 61 ? 43.631 -9.828 -10.131 1.00 18.00 ? 61 LEU A C 1 ATOM 483 O O . LEU A 1 61 ? 44.793 -10.221 -10.163 1.00 22.35 ? 61 LEU A O 1 ATOM 484 C CB . LEU A 1 61 ? 43.068 -11.634 -8.430 1.00 19.43 ? 61 LEU A CB 1 ATOM 485 C CG . LEU A 1 61 ? 42.215 -12.045 -7.222 1.00 24.24 ? 61 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 61 ? 42.596 -13.414 -6.703 1.00 25.40 ? 61 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 61 ? 42.403 -11.038 -6.138 1.00 19.67 ? 61 LEU A CD2 1 ATOM 488 N N . ASN A 1 62 ? 43.155 -8.904 -10.945 1.00 19.18 ? 62 ASN A N 1 ATOM 489 C CA . ASN A 1 62 ? 43.967 -8.344 -11.984 1.00 19.14 ? 62 ASN A CA 1 ATOM 490 C C . ASN A 1 62 ? 44.249 -6.893 -11.745 1.00 20.56 ? 62 ASN A C 1 ATOM 491 O O . ASN A 1 62 ? 43.564 -6.232 -10.927 1.00 19.49 ? 62 ASN A O 1 ATOM 492 C CB . ASN A 1 62 ? 43.298 -8.586 -13.322 1.00 24.72 ? 62 ASN A CB 1 ATOM 493 C CG . ASN A 1 62 ? 43.389 -10.080 -13.709 1.00 34.54 ? 62 ASN A CG 1 ATOM 494 O OD1 . ASN A 1 62 ? 42.376 -10.713 -13.913 1.00 46.74 ? 62 ASN A OD1 1 ATOM 495 N ND2 . ASN A 1 62 ? 44.614 -10.651 -13.706 1.00 40.04 ? 62 ASN A ND2 1 ATOM 496 N N . ASN A 1 63 ? 45.252 -6.400 -12.458 1.00 18.53 ? 63 ASN A N 1 ATOM 497 C CA . ASN A 1 63 ? 45.577 -4.992 -12.411 1.00 19.02 ? 63 ASN A CA 1 ATOM 498 C C . ASN A 1 63 ? 44.395 -4.180 -12.968 1.00 19.21 ? 63 ASN A C 1 ATOM 499 O O . ASN A 1 63 ? 44.029 -4.326 -14.150 1.00 22.04 ? 63 ASN A O 1 ATOM 500 C CB . ASN A 1 63 ? 46.883 -4.788 -13.195 1.00 19.42 ? 63 ASN A CB 1 ATOM 501 C CG . ASN A 1 63 ? 47.438 -3.409 -13.081 1.00 25.50 ? 63 ASN A CG 1 ATOM 502 O OD1 . ASN A 1 63 ? 47.434 -2.771 -11.997 1.00 22.54 ? 63 ASN A OD1 1 ATOM 503 N ND2 . ASN A 1 63 ? 47.988 -2.943 -14.200 1.00 26.77 ? 63 ASN A ND2 1 ATOM 504 N N . GLY A 1 64 ? 43.758 -3.379 -12.113 1.00 14.67 ? 64 GLY A N 1 ATOM 505 C CA . GLY A 1 64 ? 42.626 -2.589 -12.530 1.00 16.38 ? 64 GLY A CA 1 ATOM 506 C C . GLY A 1 64 ? 41.330 -3.179 -12.013 1.00 16.09 ? 64 GLY A C 1 ATOM 507 O O . GLY A 1 64 ? 40.262 -2.565 -12.191 1.00 15.73 ? 64 GLY A O 1 ATOM 508 N N . SER A 1 65 ? 41.392 -4.352 -11.373 1.00 15.00 ? 65 SER A N 1 ATOM 509 C CA . SER A 1 65 ? 40.168 -4.933 -10.800 1.00 11.36 ? 65 SER A CA 1 ATOM 510 C C . SER A 1 65 ? 39.508 -4.036 -9.741 1.00 12.45 ? 65 SER A C 1 ATOM 511 O O . SER A 1 65 ? 40.165 -3.452 -8.910 1.00 13.68 ? 65 SER A O 1 ATOM 512 C CB . SER A 1 65 ? 40.398 -6.310 -10.197 1.00 12.39 ? 65 SER A CB 1 ATOM 513 O OG . SER A 1 65 ? 40.693 -7.284 -11.193 1.00 16.25 ? 65 SER A OG 1 ATOM 514 N N . ASN A 1 66 ? 38.187 -3.939 -9.777 1.00 12.35 ? 66 ASN A N 1 ATOM 515 C CA . ASN A 1 66 ? 37.471 -3.181 -8.789 1.00 11.12 ? 66 ASN A CA 1 ATOM 516 C C . ASN A 1 66 ? 37.389 -3.896 -7.430 1.00 11.90 ? 66 ASN A C 1 ATOM 517 O O . ASN A 1 66 ? 37.323 -5.132 -7.369 1.00 13.64 ? 66 ASN A O 1 ATOM 518 C CB . ASN A 1 66 ? 36.051 -2.944 -9.304 1.00 13.16 ? 66 ASN A CB 1 ATOM 519 C CG . ASN A 1 66 ? 36.006 -1.910 -10.413 1.00 15.35 ? 66 ASN A CG 1 ATOM 520 O OD1 . ASN A 1 66 ? 35.662 -0.754 -10.181 1.00 18.26 ? 66 ASN A OD1 1 ATOM 521 N ND2 . ASN A 1 66 ? 36.359 -2.320 -11.631 1.00 19.61 ? 66 ASN A ND2 1 ATOM 522 N N . ILE A 1 67 ? 37.355 -3.125 -6.354 1.00 11.26 ? 67 ILE A N 1 ATOM 523 C CA . ILE A 1 67 ? 37.157 -3.691 -5.006 1.00 10.02 ? 67 ILE A CA 1 ATOM 524 C C . ILE A 1 67 ? 35.725 -3.336 -4.583 1.00 10.46 ? 67 ILE A C 1 ATOM 525 O O . ILE A 1 67 ? 35.270 -2.173 -4.753 1.00 10.06 ? 67 ILE A O 1 ATOM 526 C CB . ILE A 1 67 ? 38.164 -3.062 -4.027 1.00 9.30 ? 67 ILE A CB 1 ATOM 527 C CG1 . ILE A 1 67 ? 39.573 -3.361 -4.523 1.00 8.97 ? 67 ILE A CG1 1 ATOM 528 C CG2 . ILE A 1 67 ? 37.950 -3.588 -2.614 1.00 10.74 ? 67 ILE A CG2 1 ATOM 529 C CD1 . ILE A 1 67 ? 40.683 -2.603 -3.764 1.00 12.52 ? 67 ILE A CD1 1 ATOM 530 N N . VAL A 1 68 ? 35.034 -4.332 -4.044 1.00 8.63 ? 68 VAL A N 1 ATOM 531 C CA . VAL A 1 68 ? 33.610 -4.219 -3.799 1.00 9.43 ? 68 VAL A CA 1 ATOM 532 C C . VAL A 1 68 ? 33.305 -4.805 -2.425 1.00 11.14 ? 68 VAL A C 1 ATOM 533 O O . VAL A 1 68 ? 34.206 -5.343 -1.746 1.00 11.41 ? 68 VAL A O 1 ATOM 534 C CB . VAL A 1 68 ? 32.796 -5.020 -4.889 1.00 9.41 ? 68 VAL A CB 1 ATOM 535 C CG1 . VAL A 1 68 ? 33.090 -4.517 -6.326 1.00 10.32 ? 68 VAL A CG1 1 ATOM 536 C CG2 . VAL A 1 68 ? 33.064 -6.548 -4.785 1.00 12.92 ? 68 VAL A CG2 1 ATOM 537 N N . ILE A 1 69 ? 32.072 -4.676 -1.967 1.00 10.69 ? 69 ILE A N 1 ATOM 538 C CA . ILE A 1 69 ? 31.633 -5.439 -0.761 1.00 10.27 ? 69 ILE A CA 1 ATOM 539 C C . ILE A 1 69 ? 31.011 -6.740 -1.301 1.00 12.91 ? 69 ILE A C 1 ATOM 540 O O . ILE A 1 69 ? 30.358 -6.746 -2.373 1.00 13.03 ? 69 ILE A O 1 ATOM 541 C CB . ILE A 1 69 ? 30.583 -4.621 0.032 1.00 11.59 ? 69 ILE A CB 1 ATOM 542 C CG1 . ILE A 1 69 ? 30.557 -5.018 1.499 1.00 15.84 ? 69 ILE A CG1 1 ATOM 543 C CG2 . ILE A 1 69 ? 29.193 -4.718 -0.584 1.00 13.82 ? 69 ILE A CG2 1 ATOM 544 C CD1 . ILE A 1 69 ? 31.861 -4.601 2.250 1.00 18.35 ? 69 ILE A CD1 1 ATOM 545 N N . PHE A 1 70 ? 31.171 -7.836 -0.564 1.00 9.93 ? 70 PHE A N 1 ATOM 546 C CA . PHE A 1 70 ? 30.621 -9.113 -1.024 1.00 11.13 ? 70 PHE A CA 1 ATOM 547 C C . PHE A 1 70 ? 30.487 -10.046 0.172 1.00 13.11 ? 70 PHE A C 1 ATOM 548 O O . PHE A 1 70 ? 31.350 -10.050 1.070 1.00 12.58 ? 70 PHE A O 1 ATOM 549 C CB . PHE A 1 70 ? 31.495 -9.748 -2.116 1.00 12.99 ? 70 PHE A CB 1 ATOM 550 C CG . PHE A 1 70 ? 30.724 -10.646 -3.082 1.00 12.75 ? 70 PHE A CG 1 ATOM 551 C CD1 . PHE A 1 70 ? 30.290 -10.136 -4.298 1.00 12.54 ? 70 PHE A CD1 1 ATOM 552 C CD2 . PHE A 1 70 ? 30.444 -11.966 -2.757 1.00 16.44 ? 70 PHE A CD2 1 ATOM 553 C CE1 . PHE A 1 70 ? 29.609 -10.944 -5.166 1.00 17.07 ? 70 PHE A CE1 1 ATOM 554 C CE2 . PHE A 1 70 ? 29.742 -12.803 -3.646 1.00 17.18 ? 70 PHE A CE2 1 ATOM 555 C CZ . PHE A 1 70 ? 29.322 -12.277 -4.839 1.00 17.27 ? 70 PHE A CZ 1 ATOM 556 N N . ASN A 1 71 ? 29.425 -10.845 0.171 1.00 12.21 ? 71 ASN A N 1 ATOM 557 C CA . ASN A 1 71 ? 29.208 -11.865 1.211 1.00 11.86 ? 71 ASN A CA 1 ATOM 558 C C . ASN A 1 71 ? 30.497 -12.645 1.506 1.00 13.19 ? 71 ASN A C 1 ATOM 559 O O . ASN A 1 71 ? 31.124 -13.166 0.574 1.00 13.98 ? 71 ASN A O 1 ATOM 560 C CB . ASN A 1 71 ? 28.188 -12.851 0.636 1.00 16.90 ? 71 ASN A CB 1 ATOM 561 C CG . ASN A 1 71 ? 27.768 -13.887 1.631 1.00 21.74 ? 71 ASN A CG 1 ATOM 562 O OD1 . ASN A 1 71 ? 28.597 -14.716 2.040 1.00 17.48 ? 71 ASN A OD1 1 ATOM 563 N ND2 . ASN A 1 71 ? 26.456 -13.864 2.028 1.00 19.74 ? 71 ASN A ND2 1 ATOM 564 N N . CYS A 1 72 ? 30.903 -12.698 2.783 1.00 14.34 ? 72 CYS A N 1 ATOM 565 C CA . CYS A 1 72 ? 32.180 -13.293 3.135 1.00 13.30 ? 72 CYS A CA 1 ATOM 566 C C . CYS A 1 72 ? 32.249 -14.795 2.893 1.00 16.73 ? 72 CYS A C 1 ATOM 567 O O . CYS A 1 72 ? 33.345 -15.330 2.671 1.00 18.22 ? 72 CYS A O 1 ATOM 568 C CB . CYS A 1 72 ? 32.487 -13.071 4.618 1.00 15.82 ? 72 CYS A CB 1 ATOM 569 S SG . CYS A 1 72 ? 32.654 -11.362 5.024 1.00 14.71 ? 72 CYS A SG 1 ATOM 570 N N A SER A 1 73 ? 31.109 -15.485 2.976 0.50 17.56 ? 73 SER A N 1 ATOM 571 N N B SER A 1 73 ? 31.116 -15.491 2.990 0.50 17.05 ? 73 SER A N 1 ATOM 572 C CA A SER A 1 73 ? 31.121 -16.942 2.807 0.50 20.14 ? 73 SER A CA 1 ATOM 573 C CA B SER A 1 73 ? 31.144 -16.943 2.791 0.50 19.16 ? 73 SER A CA 1 ATOM 574 C C A SER A 1 73 ? 31.059 -17.422 1.357 0.50 20.06 ? 73 SER A C 1 ATOM 575 C C B SER A 1 73 ? 31.184 -17.354 1.321 0.50 19.93 ? 73 SER A C 1 ATOM 576 O O A SER A 1 73 ? 31.497 -18.539 1.061 0.50 22.63 ? 73 SER A O 1 ATOM 577 O O B SER A 1 73 ? 31.816 -18.349 0.970 0.50 24.36 ? 73 SER A O 1 ATOM 578 C CB A SER A 1 73 ? 29.999 -17.584 3.628 0.50 23.45 ? 73 SER A CB 1 ATOM 579 C CB B SER A 1 73 ? 29.946 -17.593 3.482 0.50 20.97 ? 73 SER A CB 1 ATOM 580 O OG A SER A 1 73 ? 28.716 -17.125 3.221 0.50 24.58 ? 73 SER A OG 1 ATOM 581 O OG B SER A 1 73 ? 29.891 -17.275 4.866 0.50 20.09 ? 73 SER A OG 1 ATOM 582 N N . THR A 1 74 ? 30.488 -16.605 0.469 1.00 18.51 ? 74 THR A N 1 ATOM 583 C CA . THR A 1 74 ? 30.364 -16.958 -0.951 1.00 16.84 ? 74 THR A CA 1 ATOM 584 C C . THR A 1 74 ? 31.397 -16.370 -1.889 1.00 16.36 ? 74 THR A C 1 ATOM 585 O O . THR A 1 74 ? 31.622 -16.897 -3.009 1.00 20.55 ? 74 THR A O 1 ATOM 586 C CB . THR A 1 74 ? 28.983 -16.649 -1.495 1.00 17.81 ? 74 THR A CB 1 ATOM 587 O OG1 . THR A 1 74 ? 28.795 -15.244 -1.465 1.00 18.76 ? 74 THR A OG1 1 ATOM 588 C CG2 . THR A 1 74 ? 27.906 -17.321 -0.653 1.00 22.17 ? 74 THR A CG2 1 ATOM 589 N N . ALA A 1 75 ? 32.074 -15.306 -1.430 1.00 15.56 ? 75 ALA A N 1 ATOM 590 C CA . ALA A 1 75 ? 33.190 -14.781 -2.187 1.00 16.46 ? 75 ALA A CA 1 ATOM 591 C C . ALA A 1 75 ? 34.324 -15.792 -2.271 1.00 15.70 ? 75 ALA A C 1 ATOM 592 O O . ALA A 1 75 ? 34.497 -16.648 -1.375 1.00 18.55 ? 75 ALA A O 1 ATOM 593 C CB . ALA A 1 75 ? 33.696 -13.544 -1.513 1.00 16.43 ? 75 ALA A CB 1 ATOM 594 N N . ALA A 1 76 ? 35.137 -15.685 -3.315 1.00 15.57 ? 76 ALA A N 1 ATOM 595 C CA . ALA A 1 76 ? 36.389 -16.461 -3.360 1.00 17.90 ? 76 ALA A CA 1 ATOM 596 C C . ALA A 1 76 ? 37.310 -16.101 -2.180 1.00 18.08 ? 76 ALA A C 1 ATOM 597 O O . ALA A 1 76 ? 37.504 -14.931 -1.908 1.00 17.33 ? 76 ALA A O 1 ATOM 598 C CB . ALA A 1 76 ? 37.094 -16.212 -4.674 1.00 22.03 ? 76 ALA A CB 1 ATOM 599 N N . GLU A 1 77 ? 37.824 -17.100 -1.452 1.00 18.36 ? 77 GLU A N 1 ATOM 600 C CA . GLU A 1 77 ? 38.658 -16.864 -0.279 1.00 18.51 ? 77 GLU A CA 1 ATOM 601 C C . GLU A 1 77 ? 39.845 -15.973 -0.641 1.00 16.45 ? 77 GLU A C 1 ATOM 602 O O . GLU A 1 77 ? 40.201 -15.078 0.147 1.00 17.67 ? 77 GLU A O 1 ATOM 603 C CB . GLU A 1 77 ? 39.184 -18.174 0.320 1.00 23.58 ? 77 GLU A CB 1 ATOM 604 C CG . GLU A 1 77 ? 39.712 -18.012 1.743 1.00 35.34 ? 77 GLU A CG 1 ATOM 605 C CD . GLU A 1 77 ? 38.630 -17.655 2.796 1.00 42.45 ? 77 GLU A CD 1 ATOM 606 O OE1 . GLU A 1 77 ? 37.421 -17.911 2.578 1.00 38.94 ? 77 GLU A OE1 1 ATOM 607 O OE2 . GLU A 1 77 ? 38.997 -17.105 3.868 1.00 49.34 ? 77 GLU A OE2 1 ATOM 608 N N A ASN A 1 78 ? 40.443 -16.195 -1.812 0.50 15.04 ? 78 ASN A N 1 ATOM 609 N N B ASN A 1 78 ? 40.440 -16.187 -1.817 0.50 15.89 ? 78 ASN A N 1 ATOM 610 C CA A ASN A 1 78 ? 41.603 -15.400 -2.208 0.50 13.95 ? 78 ASN A CA 1 ATOM 611 C CA B ASN A 1 78 ? 41.621 -15.402 -2.196 0.50 15.93 ? 78 ASN A CA 1 ATOM 612 C C A ASN A 1 78 ? 41.262 -13.919 -2.218 0.50 13.73 ? 78 ASN A C 1 ATOM 613 C C B ASN A 1 78 ? 41.306 -13.929 -2.443 0.50 15.73 ? 78 ASN A C 1 ATOM 614 O O A ASN A 1 78 ? 42.103 -13.073 -1.903 0.50 12.27 ? 78 ASN A O 1 ATOM 615 O O B ASN A 1 78 ? 42.217 -13.093 -2.516 0.50 14.09 ? 78 ASN A O 1 ATOM 616 C CB A ASN A 1 78 ? 42.120 -15.800 -3.605 0.50 15.13 ? 78 ASN A CB 1 ATOM 617 C CB B ASN A 1 78 ? 42.396 -16.000 -3.396 0.50 19.53 ? 78 ASN A CB 1 ATOM 618 C CG A ASN A 1 78 ? 43.044 -17.014 -3.567 0.50 19.63 ? 78 ASN A CG 1 ATOM 619 C CG B ASN A 1 78 ? 41.588 -16.051 -4.708 0.50 21.25 ? 78 ASN A CG 1 ATOM 620 O OD1 A ASN A 1 78 ? 43.523 -17.493 -4.606 0.50 24.26 ? 78 ASN A OD1 1 ATOM 621 O OD1 B ASN A 1 78 ? 42.067 -16.603 -5.716 0.50 31.94 ? 78 ASN A OD1 1 ATOM 622 N ND2 A ASN A 1 78 ? 43.333 -17.481 -2.376 0.50 17.14 ? 78 ASN A ND2 1 ATOM 623 N ND2 B ASN A 1 78 ? 40.396 -15.495 -4.715 0.50 18.51 ? 78 ASN A ND2 1 ATOM 624 N N . ALA A 1 79 ? 40.015 -13.627 -2.579 1.00 13.06 ? 79 ALA A N 1 ATOM 625 C CA . ALA A 1 79 ? 39.588 -12.262 -2.876 1.00 12.94 ? 79 ALA A CA 1 ATOM 626 C C . ALA A 1 79 ? 39.198 -11.478 -1.642 1.00 10.07 ? 79 ALA A C 1 ATOM 627 O O . ALA A 1 79 ? 38.975 -10.284 -1.754 1.00 11.94 ? 79 ALA A O 1 ATOM 628 C CB . ALA A 1 79 ? 38.410 -12.285 -3.893 1.00 13.65 ? 79 ALA A CB 1 ATOM 629 N N . ILE A 1 80 ? 39.086 -12.134 -0.467 1.00 10.53 ? 80 ILE A N 1 ATOM 630 C CA . ILE A 1 80 ? 38.683 -11.432 0.729 1.00 10.21 ? 80 ILE A CA 1 ATOM 631 C C . ILE A 1 80 ? 39.755 -11.296 1.801 1.00 10.10 ? 80 ILE A C 1 ATOM 632 O O . ILE A 1 80 ? 39.463 -10.827 2.920 1.00 12.10 ? 80 ILE A O 1 ATOM 633 C CB . ILE A 1 80 ? 37.450 -12.144 1.352 1.00 10.66 ? 80 ILE A CB 1 ATOM 634 C CG1 . ILE A 1 80 ? 37.783 -13.566 1.887 1.00 13.84 ? 80 ILE A CG1 1 ATOM 635 C CG2 . ILE A 1 80 ? 36.238 -12.079 0.330 1.00 16.04 ? 80 ILE A CG2 1 ATOM 636 C CD1 . ILE A 1 80 ? 36.560 -14.212 2.630 1.00 14.91 ? 80 ILE A CD1 1 ATOM 637 N N . LYS A 1 81 ? 40.975 -11.696 1.485 1.00 13.53 ? 81 LYS A N 1 ATOM 638 C CA . LYS A 1 81 ? 42.086 -11.594 2.455 1.00 12.85 ? 81 LYS A CA 1 ATOM 639 C C . LYS A 1 81 ? 42.877 -10.317 2.145 1.00 11.95 ? 81 LYS A C 1 ATOM 640 O O . LYS A 1 81 ? 43.169 -10.002 0.980 1.00 14.22 ? 81 LYS A O 1 ATOM 641 C CB . LYS A 1 81 ? 43.004 -12.827 2.313 1.00 17.28 ? 81 LYS A CB 1 ATOM 642 C CG . LYS A 1 81 ? 42.340 -14.142 2.719 1.00 22.42 ? 81 LYS A CG 1 ATOM 643 C CD . LYS A 1 81 ? 41.861 -14.123 4.169 1.00 33.21 ? 81 LYS A CD 1 ATOM 644 C CE . LYS A 1 81 ? 42.128 -15.504 4.866 1.00 46.44 ? 81 LYS A CE 1 ATOM 645 N NZ . LYS A 1 81 ? 41.757 -16.612 3.971 1.00 52.89 ? 81 LYS A NZ 1 ATOM 646 N N . TRP A 1 82 ? 43.255 -9.607 3.201 1.00 11.40 ? 82 TRP A N 1 ATOM 647 C CA . TRP A 1 82 ? 43.967 -8.352 3.073 1.00 11.85 ? 82 TRP A CA 1 ATOM 648 C C . TRP A 1 82 ? 44.961 -8.266 4.204 1.00 13.85 ? 82 TRP A C 1 ATOM 649 O O . TRP A 1 82 ? 44.658 -8.728 5.333 1.00 15.62 ? 82 TRP A O 1 ATOM 650 C CB . TRP A 1 82 ? 42.984 -7.185 3.233 1.00 11.86 ? 82 TRP A CB 1 ATOM 651 C CG . TRP A 1 82 ? 41.941 -7.216 2.198 1.00 9.86 ? 82 TRP A CG 1 ATOM 652 C CD1 . TRP A 1 82 ? 40.718 -7.827 2.317 1.00 10.43 ? 82 TRP A CD1 1 ATOM 653 C CD2 . TRP A 1 82 ? 42.034 -6.728 0.862 1.00 11.48 ? 82 TRP A CD2 1 ATOM 654 N NE1 . TRP A 1 82 ? 40.026 -7.717 1.118 1.00 14.38 ? 82 TRP A NE1 1 ATOM 655 C CE2 . TRP A 1 82 ? 40.795 -7.023 0.220 1.00 13.18 ? 82 TRP A CE2 1 ATOM 656 C CE3 . TRP A 1 82 ? 43.010 -5.999 0.159 1.00 13.21 ? 82 TRP A CE3 1 ATOM 657 C CZ2 . TRP A 1 82 ? 40.532 -6.664 -1.109 1.00 13.20 ? 82 TRP A CZ2 1 ATOM 658 C CZ3 . TRP A 1 82 ? 42.754 -5.612 -1.180 1.00 10.84 ? 82 TRP A CZ3 1 ATOM 659 C CH2 . TRP A 1 82 ? 41.526 -5.986 -1.809 1.00 11.66 ? 82 TRP A CH2 1 ATOM 660 N N . GLU A 1 83 ? 46.111 -7.656 3.930 1.00 12.72 ? 83 GLU A N 1 ATOM 661 C CA . GLU A 1 83 ? 47.073 -7.357 5.001 1.00 14.14 ? 83 GLU A CA 1 ATOM 662 C C . GLU A 1 83 ? 47.390 -5.874 4.986 1.00 12.13 ? 83 GLU A C 1 ATOM 663 O O . GLU A 1 83 ? 47.076 -5.171 4.017 1.00 12.34 ? 83 GLU A O 1 ATOM 664 C CB . GLU A 1 83 ? 48.362 -8.157 4.846 1.00 16.93 ? 83 GLU A CB 1 ATOM 665 C CG . GLU A 1 83 ? 47.994 -9.586 4.818 1.00 23.15 ? 83 GLU A CG 1 ATOM 666 C CD . GLU A 1 83 ? 48.788 -10.405 5.653 1.00 20.96 ? 83 GLU A CD 1 ATOM 667 O OE1 . GLU A 1 83 ? 49.901 -9.980 6.003 1.00 30.91 ? 83 GLU A OE1 1 ATOM 668 O OE2 . GLU A 1 83 ? 48.329 -11.547 5.929 1.00 24.36 ? 83 GLU A OE2 1 ATOM 669 N N . VAL A 1 84 ? 47.906 -5.387 6.108 1.00 13.49 ? 84 VAL A N 1 ATOM 670 C CA . VAL A 1 84 ? 48.139 -3.955 6.274 1.00 12.32 ? 84 VAL A CA 1 ATOM 671 C C . VAL A 1 84 ? 49.611 -3.741 6.592 1.00 9.60 ? 84 VAL A C 1 ATOM 672 O O . VAL A 1 84 ? 49.981 -3.659 7.797 1.00 12.44 ? 84 VAL A O 1 ATOM 673 C CB . VAL A 1 84 ? 47.221 -3.357 7.362 1.00 14.48 ? 84 VAL A CB 1 ATOM 674 C CG1 . VAL A 1 84 ? 47.434 -1.889 7.412 1.00 19.32 ? 84 VAL A CG1 1 ATOM 675 C CG2 . VAL A 1 84 ? 45.740 -3.608 7.052 1.00 19.60 ? 84 VAL A CG2 1 ATOM 676 N N . PRO A 1 85 ? 50.457 -3.695 5.526 1.00 9.28 ? 85 PRO A N 1 ATOM 677 C CA . PRO A 1 85 ? 51.862 -3.439 5.746 1.00 9.85 ? 85 PRO A CA 1 ATOM 678 C C . PRO A 1 85 ? 52.118 -2.183 6.561 1.00 10.47 ? 85 PRO A C 1 ATOM 679 O O . PRO A 1 85 ? 51.317 -1.189 6.558 1.00 11.87 ? 85 PRO A O 1 ATOM 680 C CB . PRO A 1 85 ? 52.425 -3.279 4.322 1.00 12.14 ? 85 PRO A CB 1 ATOM 681 C CG . PRO A 1 85 ? 51.510 -4.129 3.429 1.00 10.98 ? 85 PRO A CG 1 ATOM 682 C CD . PRO A 1 85 ? 50.154 -3.939 4.086 1.00 11.99 ? 85 PRO A CD 1 ATOM 683 N N . ILE A 1 86 ? 53.272 -2.190 7.246 1.00 10.66 ? 86 ILE A N 1 ATOM 684 C CA . ILE A 1 86 ? 53.544 -1.102 8.184 1.00 9.07 ? 86 ILE A CA 1 ATOM 685 C C . ILE A 1 86 ? 53.661 0.255 7.483 1.00 11.55 ? 86 ILE A C 1 ATOM 686 O O . ILE A 1 86 ? 53.409 1.286 8.128 1.00 15.82 ? 86 ILE A O 1 ATOM 687 C CB . ILE A 1 86 ? 54.747 -1.398 9.081 1.00 11.10 ? 86 ILE A CB 1 ATOM 688 C CG1 . ILE A 1 86 ? 56.012 -1.495 8.262 1.00 15.92 ? 86 ILE A CG1 1 ATOM 689 C CG2 . ILE A 1 86 ? 54.484 -2.687 9.869 1.00 15.52 ? 86 ILE A CG2 1 ATOM 690 C CD1 . ILE A 1 86 ? 57.262 -1.616 9.148 1.00 21.92 ? 86 ILE A CD1 1 ATOM 691 N N . ASP A 1 87 ? 53.949 0.264 6.170 1.00 12.17 ? 87 ASP A N 1 ATOM 692 C CA . ASP A 1 87 ? 54.094 1.532 5.469 1.00 13.50 ? 87 ASP A CA 1 ATOM 693 C C . ASP A 1 87 ? 52.729 2.065 5.032 1.00 15.41 ? 87 ASP A C 1 ATOM 694 O O . ASP A 1 87 ? 52.618 3.151 4.408 1.00 18.62 ? 87 ASP A O 1 ATOM 695 C CB . ASP A 1 87 ? 55.041 1.396 4.268 1.00 17.34 ? 87 ASP A CB 1 ATOM 696 C CG . ASP A 1 87 ? 54.476 0.519 3.141 1.00 16.49 ? 87 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 87 ? 53.300 0.091 3.178 1.00 16.43 ? 87 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 87 ? 55.215 0.308 2.168 1.00 27.90 ? 87 ASP A OD2 1 ATOM 699 N N . GLY A 1 88 ? 51.677 1.357 5.369 1.00 13.17 ? 88 GLY A N 1 ATOM 700 C CA . GLY A 1 88 ? 50.342 1.956 5.118 1.00 16.07 ? 88 GLY A CA 1 ATOM 701 C C . GLY A 1 88 ? 49.670 1.498 3.852 1.00 13.39 ? 88 GLY A C 1 ATOM 702 O O . GLY A 1 88 ? 48.615 1.984 3.491 1.00 17.44 ? 88 GLY A O 1 ATOM 703 N N . SER A 1 89 ? 50.232 0.526 3.141 1.00 10.47 ? 89 SER A N 1 ATOM 704 C CA . SER A 1 89 ? 49.488 -0.076 2.026 1.00 10.26 ? 89 SER A CA 1 ATOM 705 C C . SER A 1 89 ? 48.354 -0.970 2.563 1.00 11.42 ? 89 SER A C 1 ATOM 706 O O . SER A 1 89 ? 48.328 -1.348 3.773 1.00 12.68 ? 89 SER A O 1 ATOM 707 C CB . SER A 1 89 ? 50.405 -0.967 1.210 1.00 13.04 ? 89 SER A CB 1 ATOM 708 O OG . SER A 1 89 ? 51.493 -0.222 0.729 1.00 12.83 ? 89 SER A OG 1 ATOM 709 N N . ILE A 1 90 ? 47.459 -1.365 1.662 1.00 10.40 ? 90 ILE A N 1 ATOM 710 C CA . ILE A 1 90 ? 46.475 -2.418 2.010 1.00 10.57 ? 90 ILE A CA 1 ATOM 711 C C . ILE A 1 90 ? 46.601 -3.370 0.832 1.00 11.50 ? 90 ILE A C 1 ATOM 712 O O . ILE A 1 90 ? 46.331 -2.960 -0.331 1.00 11.75 ? 90 ILE A O 1 ATOM 713 C CB . ILE A 1 90 ? 45.039 -1.867 2.201 1.00 11.30 ? 90 ILE A CB 1 ATOM 714 C CG1 . ILE A 1 90 ? 45.022 -1.035 3.491 1.00 11.57 ? 90 ILE A CG1 1 ATOM 715 C CG2 . ILE A 1 90 ? 44.028 -3.085 2.350 1.00 14.62 ? 90 ILE A CG2 1 ATOM 716 C CD1 . ILE A 1 90 ? 43.669 -0.411 3.830 1.00 14.21 ? 90 ILE A CD1 1 ATOM 717 N N . ILE A 1 91 ? 47.066 -4.595 1.111 1.00 11.51 ? 91 ILE A N 1 ATOM 718 C CA . ILE A 1 91 ? 47.484 -5.488 0.023 1.00 10.10 ? 91 ILE A CA 1 ATOM 719 C C . ILE A 1 91 ? 46.639 -6.751 0.010 1.00 11.45 ? 91 ILE A C 1 ATOM 720 O O . ILE A 1 91 ? 46.244 -7.251 1.067 1.00 13.96 ? 91 ILE A O 1 ATOM 721 C CB . ILE A 1 91 ? 48.988 -5.869 0.153 1.00 10.34 ? 91 ILE A CB 1 ATOM 722 C CG1 . ILE A 1 91 ? 49.473 -6.674 -1.047 1.00 12.59 ? 91 ILE A CG1 1 ATOM 723 C CG2 . ILE A 1 91 ? 49.295 -6.586 1.469 1.00 14.90 ? 91 ILE A CG2 1 ATOM 724 C CD1 . ILE A 1 91 ? 51.047 -6.869 -1.032 1.00 15.82 ? 91 ILE A CD1 1 ATOM 725 N N . ASN A 1 92 ? 46.356 -7.251 -1.185 1.00 11.25 ? 92 ASN A N 1 ATOM 726 C CA . ASN A 1 92 ? 45.697 -8.540 -1.318 1.00 11.59 ? 92 ASN A CA 1 ATOM 727 C C . ASN A 1 92 ? 46.810 -9.550 -1.526 1.00 13.61 ? 92 ASN A C 1 ATOM 728 O O . ASN A 1 92 ? 47.535 -9.469 -2.526 1.00 16.26 ? 92 ASN A O 1 ATOM 729 C CB . ASN A 1 92 ? 44.809 -8.499 -2.570 1.00 12.91 ? 92 ASN A CB 1 ATOM 730 C CG . ASN A 1 92 ? 44.280 -9.865 -2.951 1.00 13.08 ? 92 ASN A CG 1 ATOM 731 O OD1 . ASN A 1 92 ? 44.758 -10.455 -3.908 1.00 18.69 ? 92 ASN A OD1 1 ATOM 732 N ND2 . ASN A 1 92 ? 43.306 -10.377 -2.191 1.00 16.21 ? 92 ASN A ND2 1 ATOM 733 N N . PRO A 1 93 ? 46.990 -10.463 -0.563 1.00 11.25 ? 93 PRO A N 1 ATOM 734 C CA . PRO A 1 93 ? 48.160 -11.343 -0.666 1.00 13.64 ? 93 PRO A CA 1 ATOM 735 C C . PRO A 1 93 ? 48.216 -12.233 -1.922 1.00 17.44 ? 93 PRO A C 1 ATOM 736 O O . PRO A 1 93 ? 49.317 -12.459 -2.472 1.00 21.85 ? 93 PRO A O 1 ATOM 737 C CB . PRO A 1 93 ? 48.126 -12.141 0.661 1.00 15.16 ? 93 PRO A CB 1 ATOM 738 C CG . PRO A 1 93 ? 47.322 -11.338 1.601 1.00 19.66 ? 93 PRO A CG 1 ATOM 739 C CD . PRO A 1 93 ? 46.286 -10.621 0.712 1.00 13.08 ? 93 PRO A CD 1 ATOM 740 N N . SER A 1 94 ? 47.078 -12.694 -2.417 1.00 16.47 ? 94 SER A N 1 ATOM 741 C CA . SER A 1 94 ? 47.080 -13.633 -3.542 1.00 21.61 ? 94 SER A CA 1 ATOM 742 C C . SER A 1 94 ? 47.718 -12.982 -4.773 1.00 23.98 ? 94 SER A C 1 ATOM 743 O O . SER A 1 94 ? 48.626 -13.553 -5.396 1.00 26.62 ? 94 SER A O 1 ATOM 744 C CB . SER A 1 94 ? 45.655 -14.098 -3.835 1.00 25.66 ? 94 SER A CB 1 ATOM 745 O OG . SER A 1 94 ? 45.597 -14.897 -5.017 1.00 28.01 ? 94 SER A OG 1 ATOM 746 N N . SER A 1 95 ? 47.296 -11.757 -5.060 1.00 20.84 ? 95 SER A N 1 ATOM 747 C CA . SER A 1 95 ? 47.666 -11.058 -6.287 1.00 23.45 ? 95 SER A CA 1 ATOM 748 C C . SER A 1 95 ? 48.904 -10.220 -6.097 1.00 20.99 ? 95 SER A C 1 ATOM 749 O O . SER A 1 95 ? 49.592 -9.916 -7.090 1.00 22.23 ? 95 SER A O 1 ATOM 750 C CB . SER A 1 95 ? 46.507 -10.172 -6.762 1.00 20.23 ? 95 SER A CB 1 ATOM 751 O OG . SER A 1 95 ? 46.280 -9.101 -5.836 1.00 19.11 ? 95 SER A OG 1 ATOM 752 N N . GLY A 1 96 ? 49.202 -9.858 -4.835 1.00 15.09 ? 96 GLY A N 1 ATOM 753 C CA . GLY A 1 96 ? 50.195 -8.820 -4.529 1.00 16.80 ? 96 GLY A CA 1 ATOM 754 C C . GLY A 1 96 ? 49.833 -7.405 -4.968 1.00 17.95 ? 96 GLY A C 1 ATOM 755 O O . GLY A 1 96 ? 50.642 -6.468 -4.847 1.00 18.53 ? 96 GLY A O 1 ATOM 756 N N . LEU A 1 97 ? 48.604 -7.206 -5.434 1.00 11.66 ? 97 LEU A N 1 ATOM 757 C CA . LEU A 1 97 ? 48.185 -5.880 -5.846 1.00 12.67 ? 97 LEU A CA 1 ATOM 758 C C . LEU A 1 97 ? 47.667 -5.156 -4.595 1.00 11.49 ? 97 LEU A C 1 ATOM 759 O O . LEU A 1 97 ? 47.314 -5.778 -3.572 1.00 11.89 ? 97 LEU A O 1 ATOM 760 C CB . LEU A 1 97 ? 47.049 -6.029 -6.873 1.00 11.22 ? 97 LEU A CB 1 ATOM 761 C CG . LEU A 1 97 ? 47.480 -6.827 -8.127 1.00 13.89 ? 97 LEU A CG 1 ATOM 762 C CD1 . LEU A 1 97 ? 46.228 -6.988 -8.973 1.00 16.87 ? 97 LEU A CD1 1 ATOM 763 C CD2 . LEU A 1 97 ? 48.518 -6.075 -8.969 1.00 18.44 ? 97 LEU A CD2 1 ATOM 764 N N . VAL A 1 98 ? 47.644 -3.836 -4.671 1.00 9.77 ? 98 VAL A N 1 ATOM 765 C CA . VAL A 1 98 ? 47.319 -3.032 -3.534 1.00 9.03 ? 98 VAL A CA 1 ATOM 766 C C . VAL A 1 98 ? 46.112 -2.106 -3.827 1.00 10.02 ? 98 VAL A C 1 ATOM 767 O O . VAL A 1 98 ? 45.876 -1.685 -4.999 1.00 10.36 ? 98 VAL A O 1 ATOM 768 C CB . VAL A 1 98 ? 48.544 -2.158 -3.051 1.00 9.85 ? 98 VAL A CB 1 ATOM 769 C CG1 . VAL A 1 98 ? 49.686 -3.090 -2.693 1.00 14.16 ? 98 VAL A CG1 1 ATOM 770 C CG2 . VAL A 1 98 ? 48.955 -1.075 -4.120 1.00 10.16 ? 98 VAL A CG2 1 ATOM 771 N N A MET A 1 99 ? 45.331 -1.819 -2.790 0.50 11.32 ? 99 MET A N 1 ATOM 772 N N B MET A 1 99 ? 45.391 -1.776 -2.755 0.50 8.15 ? 99 MET A N 1 ATOM 773 C CA A MET A 1 99 ? 44.164 -0.964 -2.939 0.50 8.30 ? 99 MET A CA 1 ATOM 774 C CA B MET A 1 99 ? 44.257 -0.866 -2.821 0.50 7.21 ? 99 MET A CA 1 ATOM 775 C C A MET A 1 99 ? 44.599 0.467 -3.259 0.50 9.49 ? 99 MET A C 1 ATOM 776 C C B MET A 1 99 ? 44.716 0.498 -3.321 0.50 8.86 ? 99 MET A C 1 ATOM 777 O O A MET A 1 99 ? 45.443 1.054 -2.542 0.50 9.29 ? 99 MET A O 1 ATOM 778 O O B MET A 1 99 ? 45.682 1.088 -2.795 0.50 5.77 ? 99 MET A O 1 ATOM 779 C CB A MET A 1 99 ? 43.318 -1.003 -1.654 0.50 8.64 ? 99 MET A CB 1 ATOM 780 C CB B MET A 1 99 ? 43.604 -0.722 -1.425 0.50 6.50 ? 99 MET A CB 1 ATOM 781 C CG A MET A 1 99 ? 41.988 -0.273 -1.807 0.50 8.28 ? 99 MET A CG 1 ATOM 782 C CG B MET A 1 99 ? 42.381 0.214 -1.449 0.50 7.45 ? 99 MET A CG 1 ATOM 783 S SD A MET A 1 99 ? 40.900 -0.709 -0.439 0.50 11.07 ? 99 MET A SD 1 ATOM 784 S SD B MET A 1 99 ? 41.703 0.569 0.190 0.50 12.32 ? 99 MET A SD 1 ATOM 785 C CE A MET A 1 99 ? 41.612 0.152 0.940 0.50 8.17 ? 99 MET A CE 1 ATOM 786 C CE B MET A 1 99 ? 41.083 -1.017 0.653 0.50 14.10 ? 99 MET A CE 1 ATOM 787 N N . THR A 1 100 ? 44.034 1.018 -4.341 1.00 8.42 ? 100 THR A N 1 ATOM 788 C CA . THR A 1 100 ? 44.468 2.280 -4.931 1.00 10.37 ? 100 THR A CA 1 ATOM 789 C C . THR A 1 100 ? 43.262 3.164 -5.188 1.00 11.33 ? 100 THR A C 1 ATOM 790 O O . THR A 1 100 ? 42.223 2.660 -5.660 1.00 11.02 ? 100 THR A O 1 ATOM 791 C CB . THR A 1 100 ? 45.078 1.933 -6.317 1.00 11.55 ? 100 THR A CB 1 ATOM 792 O OG1 . THR A 1 100 ? 46.154 0.990 -6.116 1.00 10.17 ? 100 THR A OG1 1 ATOM 793 C CG2 . THR A 1 100 ? 45.585 3.169 -7.069 1.00 11.84 ? 100 THR A CG2 1 ATOM 794 N N . ALA A 1 101 ? 43.394 4.452 -4.880 1.00 9.98 ? 101 ALA A N 1 ATOM 795 C CA . ALA A 1 101 ? 42.352 5.466 -5.223 1.00 10.22 ? 101 ALA A CA 1 ATOM 796 C C . ALA A 1 101 ? 42.863 6.193 -6.444 1.00 11.60 ? 101 ALA A C 1 ATOM 797 O O . ALA A 1 101 ? 43.778 7.025 -6.331 1.00 11.95 ? 101 ALA A O 1 ATOM 798 C CB . ALA A 1 101 ? 42.221 6.472 -4.074 1.00 10.46 ? 101 ALA A CB 1 ATOM 799 N N . PRO A 1 102 ? 42.327 5.848 -7.638 1.00 13.57 ? 102 PRO A N 1 ATOM 800 C CA . PRO A 1 102 ? 43.013 6.366 -8.871 1.00 14.11 ? 102 PRO A CA 1 ATOM 801 C C . PRO A 1 102 ? 42.825 7.877 -9.168 1.00 12.61 ? 102 PRO A C 1 ATOM 802 O O . PRO A 1 102 ? 43.564 8.443 -9.968 1.00 17.12 ? 102 PRO A O 1 ATOM 803 C CB . PRO A 1 102 ? 42.441 5.507 -9.993 1.00 19.16 ? 102 PRO A CB 1 ATOM 804 C CG . PRO A 1 102 ? 41.233 4.794 -9.449 1.00 19.97 ? 102 PRO A CG 1 ATOM 805 C CD . PRO A 1 102 ? 41.215 4.897 -7.919 1.00 13.08 ? 102 PRO A CD 1 ATOM 806 N N . ARG A 1 103 ? 41.826 8.487 -8.541 1.00 13.80 ? 103 ARG A N 1 ATOM 807 C CA . ARG A 1 103 ? 41.578 9.943 -8.596 1.00 13.70 ? 103 ARG A CA 1 ATOM 808 C C . ARG A 1 103 ? 41.361 10.500 -7.174 1.00 15.20 ? 103 ARG A C 1 ATOM 809 O O . ARG A 1 103 ? 41.062 9.732 -6.263 1.00 15.17 ? 103 ARG A O 1 ATOM 810 C CB . ARG A 1 103 ? 40.302 10.250 -9.411 1.00 18.51 ? 103 ARG A CB 1 ATOM 811 C CG . ARG A 1 103 ? 40.457 10.083 -10.855 1.00 24.67 ? 103 ARG A CG 1 ATOM 812 C CD . ARG A 1 103 ? 39.058 10.081 -11.580 1.00 30.37 ? 103 ARG A CD 1 ATOM 813 N NE . ARG A 1 103 ? 38.269 11.296 -11.411 1.00 38.86 ? 103 ARG A NE 1 ATOM 814 C CZ . ARG A 1 103 ? 37.122 11.462 -10.719 1.00 32.26 ? 103 ARG A CZ 1 ATOM 815 N NH1 . ARG A 1 103 ? 36.626 12.677 -10.719 1.00 27.73 ? 103 ARG A NH1 1 ATOM 816 N NH2 . ARG A 1 103 ? 36.479 10.493 -10.009 1.00 29.19 ? 103 ARG A NH2 1 ATOM 817 N N . ALA A 1 104 ? 41.530 11.810 -6.963 1.00 15.99 ? 104 ALA A N 1 ATOM 818 C CA . ALA A 1 104 ? 41.343 12.349 -5.565 1.00 18.68 ? 104 ALA A CA 1 ATOM 819 C C . ALA A 1 104 ? 39.844 12.554 -5.144 1.00 20.10 ? 104 ALA A C 1 ATOM 820 O O . ALA A 1 104 ? 39.463 12.719 -3.953 1.00 26.13 ? 104 ALA A O 1 ATOM 821 C CB . ALA A 1 104 ? 42.101 13.649 -5.422 1.00 21.19 ? 104 ALA A CB 1 ATOM 822 N N . ALA A 1 105 ? 39.012 12.608 -6.136 1.00 14.06 ? 105 ALA A N 1 ATOM 823 C CA . ALA A 1 105 ? 37.675 13.081 -5.950 1.00 12.65 ? 105 ALA A CA 1 ATOM 824 C C . ALA A 1 105 ? 36.871 12.174 -5.103 1.00 11.71 ? 105 ALA A C 1 ATOM 825 O O . ALA A 1 105 ? 37.073 10.934 -5.127 1.00 13.43 ? 105 ALA A O 1 ATOM 826 C CB . ALA A 1 105 ? 36.976 13.180 -7.325 1.00 14.94 ? 105 ALA A CB 1 ATOM 827 N N A SER A 1 106 ? 35.895 12.741 -4.387 0.50 14.63 ? 106 SER A N 1 ATOM 828 N N B SER A 1 106 ? 35.882 12.772 -4.423 0.50 10.47 ? 106 SER A N 1 ATOM 829 C CA A SER A 1 106 ? 34.868 11.881 -3.796 0.50 16.30 ? 106 SER A CA 1 ATOM 830 C CA B SER A 1 106 ? 34.785 11.972 -3.879 0.50 11.15 ? 106 SER A CA 1 ATOM 831 C C A SER A 1 106 ? 34.172 11.118 -4.916 0.50 14.85 ? 106 SER A C 1 ATOM 832 C C B SER A 1 106 ? 34.217 11.083 -4.985 0.50 11.01 ? 106 SER A C 1 ATOM 833 O O A SER A 1 106 ? 34.000 11.649 -6.037 0.50 16.30 ? 106 SER A O 1 ATOM 834 O O B SER A 1 106 ? 34.207 11.473 -6.183 0.50 10.39 ? 106 SER A O 1 ATOM 835 C CB A SER A 1 106 ? 33.831 12.654 -3.010 0.50 17.87 ? 106 SER A CB 1 ATOM 836 C CB B SER A 1 106 ? 33.677 12.818 -3.255 0.50 14.89 ? 106 SER A CB 1 ATOM 837 O OG A SER A 1 106 ? 33.066 13.439 -3.892 0.50 20.07 ? 106 SER A OG 1 ATOM 838 O OG B SER A 1 106 ? 34.118 13.455 -2.060 0.50 17.73 ? 106 SER A OG 1 ATOM 839 N N . ARG A 1 107 ? 33.758 9.898 -4.587 1.00 10.60 ? 107 ARG A N 1 ATOM 840 C CA . ARG A 1 107 ? 33.111 8.956 -5.507 1.00 10.51 ? 107 ARG A CA 1 ATOM 841 C C . ARG A 1 107 ? 34.078 8.246 -6.455 1.00 11.06 ? 107 ARG A C 1 ATOM 842 O O . ARG A 1 107 ? 33.641 7.425 -7.282 1.00 12.55 ? 107 ARG A O 1 ATOM 843 C CB . ARG A 1 107 ? 31.932 9.536 -6.270 1.00 11.61 ? 107 ARG A CB 1 ATOM 844 C CG . ARG A 1 107 ? 30.873 10.138 -5.437 1.00 18.78 ? 107 ARG A CG 1 ATOM 845 C CD . ARG A 1 107 ? 29.829 10.762 -6.394 1.00 20.75 ? 107 ARG A CD 1 ATOM 846 N NE . ARG A 1 107 ? 29.054 11.863 -5.793 1.00 25.19 ? 107 ARG A NE 1 ATOM 847 C CZ . ARG A 1 107 ? 27.943 11.625 -5.105 1.00 17.99 ? 107 ARG A CZ 1 ATOM 848 N NH1 . ARG A 1 107 ? 27.524 10.380 -5.037 1.00 24.77 ? 107 ARG A NH1 1 ATOM 849 N NH2 . ARG A 1 107 ? 27.230 12.604 -4.577 1.00 27.98 ? 107 ARG A NH2 1 ATOM 850 N N . THR A 1 108 ? 35.392 8.503 -6.298 1.00 10.46 ? 108 THR A N 1 ATOM 851 C CA . THR A 1 108 ? 36.373 7.652 -7.004 1.00 9.93 ? 108 THR A CA 1 ATOM 852 C C . THR A 1 108 ? 36.268 6.237 -6.497 1.00 10.17 ? 108 THR A C 1 ATOM 853 O O . THR A 1 108 ? 36.220 6.028 -5.272 1.00 9.93 ? 108 THR A O 1 ATOM 854 C CB . THR A 1 108 ? 37.759 8.181 -6.788 1.00 11.72 ? 108 THR A CB 1 ATOM 855 O OG1 . THR A 1 108 ? 37.781 9.534 -7.279 1.00 17.66 ? 108 THR A OG1 1 ATOM 856 C CG2 . THR A 1 108 ? 38.747 7.375 -7.586 1.00 11.15 ? 108 THR A CG2 1 ATOM 857 N N . ILE A 1 109 ? 36.202 5.266 -7.430 1.00 8.88 ? 109 ILE A N 1 ATOM 858 C CA . ILE A 1 109 ? 36.029 3.839 -7.105 1.00 9.40 ? 109 ILE A CA 1 ATOM 859 C C . ILE A 1 109 ? 37.394 3.204 -6.935 1.00 10.04 ? 109 ILE A C 1 ATOM 860 O O . ILE A 1 109 ? 38.329 3.461 -7.740 1.00 13.88 ? 109 ILE A O 1 ATOM 861 C CB . ILE A 1 109 ? 35.204 3.158 -8.221 1.00 14.17 ? 109 ILE A CB 1 ATOM 862 C CG1 . ILE A 1 109 ? 33.759 3.670 -8.031 1.00 15.08 ? 109 ILE A CG1 1 ATOM 863 C CG2 . ILE A 1 109 ? 35.277 1.631 -8.195 1.00 21.76 ? 109 ILE A CG2 1 ATOM 864 C CD1 . ILE A 1 109 ? 32.774 3.040 -9.069 1.00 24.49 ? 109 ILE A CD1 1 ATOM 865 N N . LEU A 1 110 ? 37.518 2.383 -5.884 1.00 9.09 ? 110 LEU A N 1 ATOM 866 C CA . LEU A 1 110 ? 38.822 1.846 -5.504 1.00 8.64 ? 110 LEU A CA 1 ATOM 867 C C . LEU A 1 110 ? 39.182 0.614 -6.319 1.00 10.33 ? 110 LEU A C 1 ATOM 868 O O . LEU A 1 110 ? 38.323 -0.240 -6.618 1.00 10.22 ? 110 LEU A O 1 ATOM 869 C CB . LEU A 1 110 ? 38.841 1.541 -4.002 1.00 10.22 ? 110 LEU A CB 1 ATOM 870 C CG . LEU A 1 110 ? 38.499 2.777 -3.101 1.00 10.24 ? 110 LEU A CG 1 ATOM 871 C CD1 . LEU A 1 110 ? 38.594 2.347 -1.608 1.00 12.54 ? 110 LEU A CD1 1 ATOM 872 C CD2 . LEU A 1 110 ? 39.312 4.039 -3.394 1.00 13.43 ? 110 LEU A CD2 1 ATOM 873 N N . LEU A 1 111 ? 40.478 0.498 -6.676 1.00 11.02 ? 111 LEU A N 1 ATOM 874 C CA . LEU A 1 111 ? 40.892 -0.572 -7.563 1.00 11.27 ? 111 LEU A CA 1 ATOM 875 C C . LEU A 1 111 ? 42.086 -1.292 -6.938 1.00 11.29 ? 111 LEU A C 1 ATOM 876 O O . LEU A 1 111 ? 42.795 -0.725 -6.126 1.00 11.42 ? 111 LEU A O 1 ATOM 877 C CB . LEU A 1 111 ? 41.360 0.039 -8.907 1.00 11.28 ? 111 LEU A CB 1 ATOM 878 C CG . LEU A 1 111 ? 40.396 0.875 -9.722 1.00 12.41 ? 111 LEU A CG 1 ATOM 879 C CD1 . LEU A 1 111 ? 41.088 1.289 -11.048 1.00 17.68 ? 111 LEU A CD1 1 ATOM 880 C CD2 . LEU A 1 111 ? 39.133 0.045 -10.060 1.00 16.78 ? 111 LEU A CD2 1 ATOM 881 N N . LEU A 1 112 ? 42.303 -2.537 -7.325 1.00 12.17 ? 112 LEU A N 1 ATOM 882 C CA . LEU A 1 112 ? 43.601 -3.199 -7.095 1.00 11.21 ? 112 LEU A CA 1 ATOM 883 C C . LEU A 1 112 ? 44.520 -2.824 -8.233 1.00 13.36 ? 112 LEU A C 1 ATOM 884 O O . LEU A 1 112 ? 44.122 -2.913 -9.416 1.00 13.77 ? 112 LEU A O 1 ATOM 885 C CB . LEU A 1 112 ? 43.447 -4.696 -7.129 1.00 14.18 ? 112 LEU A CB 1 ATOM 886 C CG . LEU A 1 112 ? 42.994 -5.481 -5.954 1.00 15.50 ? 112 LEU A CG 1 ATOM 887 C CD1 . LEU A 1 112 ? 43.079 -6.955 -6.391 1.00 18.37 ? 112 LEU A CD1 1 ATOM 888 C CD2 . LEU A 1 112 ? 43.852 -5.183 -4.715 1.00 13.54 ? 112 LEU A CD2 1 ATOM 889 N N . GLU A 1 113 ? 45.723 -2.347 -7.899 1.00 11.76 ? 113 GLU A N 1 ATOM 890 C CA . GLU A 1 113 ? 46.673 -2.046 -8.954 1.00 11.52 ? 113 GLU A CA 1 ATOM 891 C C . GLU A 1 113 ? 48.075 -2.415 -8.515 1.00 9.66 ? 113 GLU A C 1 ATOM 892 O O . GLU A 1 113 ? 48.346 -2.623 -7.300 1.00 11.50 ? 113 GLU A O 1 ATOM 893 C CB . GLU A 1 113 ? 46.657 -0.545 -9.296 1.00 13.40 ? 113 GLU A CB 1 ATOM 894 C CG . GLU A 1 113 ? 45.393 -0.031 -9.936 1.00 21.26 ? 113 GLU A CG 1 ATOM 895 C CD . GLU A 1 113 ? 45.603 1.371 -10.494 1.00 28.99 ? 113 GLU A CD 1 ATOM 896 O OE1 . GLU A 1 113 ? 46.770 1.874 -10.562 1.00 28.89 ? 113 GLU A OE1 1 ATOM 897 O OE2 . GLU A 1 113 ? 44.593 1.982 -10.837 1.00 34.76 ? 113 GLU A OE2 1 ATOM 898 N N . ASP A 1 114 ? 48.977 -2.514 -9.511 1.00 12.00 ? 114 ASP A N 1 ATOM 899 C CA . ASP A 1 114 ? 50.391 -2.760 -9.220 1.00 13.30 ? 114 ASP A CA 1 ATOM 900 C C . ASP A 1 114 ? 50.869 -1.743 -8.147 1.00 10.72 ? 114 ASP A C 1 ATOM 901 O O . ASP A 1 114 ? 50.596 -0.536 -8.256 1.00 11.36 ? 114 ASP A O 1 ATOM 902 C CB . ASP A 1 114 ? 51.222 -2.438 -10.453 1.00 15.62 ? 114 ASP A CB 1 ATOM 903 C CG . ASP A 1 114 ? 51.064 -3.413 -11.576 1.00 23.39 ? 114 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 114 ? 50.477 -4.488 -11.422 1.00 25.07 ? 114 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 114 ? 51.650 -3.077 -12.643 1.00 27.76 ? 114 ASP A OD2 1 ATOM 906 N N . ASN A 1 115 ? 51.583 -2.226 -7.138 1.00 11.69 ? 115 ASN A N 1 ATOM 907 C CA . ASN A 1 115 ? 52.151 -1.355 -6.125 1.00 10.20 ? 115 ASN A CA 1 ATOM 908 C C . ASN A 1 115 ? 53.276 -0.539 -6.743 1.00 12.43 ? 115 ASN A C 1 ATOM 909 O O . ASN A 1 115 ? 54.331 -1.098 -7.187 1.00 15.03 ? 115 ASN A O 1 ATOM 910 C CB . ASN A 1 115 ? 52.674 -2.191 -4.978 1.00 12.37 ? 115 ASN A CB 1 ATOM 911 C CG . ASN A 1 115 ? 53.112 -1.371 -3.810 1.00 15.13 ? 115 ASN A CG 1 ATOM 912 O OD1 . ASN A 1 115 ? 52.865 -0.177 -3.767 1.00 12.05 ? 115 ASN A OD1 1 ATOM 913 N ND2 . ASN A 1 115 ? 53.672 -2.041 -2.779 1.00 21.98 ? 115 ASN A ND2 1 ATOM 914 N N . ILE A 1 116 ? 53.081 0.786 -6.695 1.00 11.15 ? 116 ILE A N 1 ATOM 915 C CA . ILE A 1 116 ? 54.146 1.726 -7.069 1.00 13.14 ? 116 ILE A CA 1 ATOM 916 C C . ILE A 1 116 ? 54.481 2.639 -5.871 1.00 11.29 ? 116 ILE A C 1 ATOM 917 O O . ILE A 1 116 ? 55.193 3.658 -6.031 1.00 12.93 ? 116 ILE A O 1 ATOM 918 C CB . ILE A 1 116 ? 53.801 2.531 -8.341 1.00 12.32 ? 116 ILE A CB 1 ATOM 919 C CG1 . ILE A 1 116 ? 52.514 3.332 -8.146 1.00 14.11 ? 116 ILE A CG1 1 ATOM 920 C CG2 . ILE A 1 116 ? 53.724 1.587 -9.556 1.00 15.01 ? 116 ILE A CG2 1 ATOM 921 C CD1 . ILE A 1 116 ? 52.290 4.417 -9.209 1.00 13.71 ? 116 ILE A CD1 1 ATOM 922 N N . TYR A 1 117 ? 53.986 2.266 -4.678 1.00 10.58 ? 117 TYR A N 1 ATOM 923 C CA . TYR A 1 117 ? 54.212 3.064 -3.461 1.00 9.54 ? 117 TYR A CA 1 ATOM 924 C C . TYR A 1 117 ? 53.725 4.495 -3.653 1.00 10.44 ? 117 TYR A C 1 ATOM 925 O O . TYR A 1 117 ? 54.313 5.447 -3.092 1.00 10.49 ? 117 TYR A O 1 ATOM 926 C CB . TYR A 1 117 ? 55.697 3.070 -3.030 1.00 11.44 ? 117 TYR A CB 1 ATOM 927 C CG . TYR A 1 117 ? 56.186 1.661 -2.682 1.00 12.12 ? 117 TYR A CG 1 ATOM 928 C CD1 . TYR A 1 117 ? 56.931 0.927 -3.595 1.00 13.38 ? 117 TYR A CD1 1 ATOM 929 C CD2 . TYR A 1 117 ? 55.920 1.098 -1.442 1.00 13.25 ? 117 TYR A CD2 1 ATOM 930 C CE1 . TYR A 1 117 ? 57.374 -0.348 -3.275 1.00 14.94 ? 117 TYR A CE1 1 ATOM 931 C CE2 . TYR A 1 117 ? 56.338 -0.197 -1.126 1.00 13.57 ? 117 TYR A CE2 1 ATOM 932 C CZ . TYR A 1 117 ? 57.088 -0.899 -2.034 1.00 14.18 ? 117 TYR A CZ 1 ATOM 933 O OH . TYR A 1 117 ? 57.556 -2.172 -1.713 1.00 18.19 ? 117 TYR A OH 1 ATOM 934 N N . ALA A 1 118 ? 52.600 4.660 -4.345 1.00 9.83 ? 118 ALA A N 1 ATOM 935 C CA . ALA A 1 118 ? 52.069 5.984 -4.562 1.00 7.82 ? 118 ALA A CA 1 ATOM 936 C C . ALA A 1 118 ? 51.299 6.459 -3.312 1.00 8.76 ? 118 ALA A C 1 ATOM 937 O O . ALA A 1 118 ? 50.793 5.636 -2.539 1.00 9.91 ? 118 ALA A O 1 ATOM 938 C CB . ALA A 1 118 ? 51.113 5.976 -5.804 1.00 10.46 ? 118 ALA A CB 1 ATOM 939 N N . ALA A 1 119 ? 51.184 7.780 -3.121 1.00 9.69 ? 119 ALA A N 1 ATOM 940 C CA . ALA A 1 119 ? 50.338 8.266 -2.024 1.00 9.80 ? 119 ALA A CA 1 ATOM 941 C C . ALA A 1 119 ? 48.876 7.840 -2.278 1.00 9.47 ? 119 ALA A C 1 ATOM 942 O O . ALA A 1 119 ? 48.073 7.773 -1.316 1.00 11.02 ? 119 ALA A O 1 ATOM 943 C CB . ALA A 1 119 ? 50.419 9.755 -1.945 1.00 11.40 ? 119 ALA A CB 1 ATOM 944 N N . SER A 1 120 ? 48.500 7.613 -3.555 1.00 9.60 ? 120 SER A N 1 ATOM 945 C CA . SER A 1 120 ? 47.148 7.104 -3.843 1.00 8.27 ? 120 SER A CA 1 ATOM 946 C C . SER A 1 120 ? 46.957 5.670 -3.365 1.00 9.30 ? 120 SER A C 1 ATOM 947 O O . SER A 1 120 ? 45.816 5.125 -3.479 1.00 10.00 ? 120 SER A O 1 ATOM 948 C CB . SER A 1 120 ? 46.863 7.127 -5.359 1.00 11.83 ? 120 SER A CB 1 ATOM 949 O OG . SER A 1 120 ? 47.799 6.328 -6.023 1.00 13.37 ? 120 SER A OG 1 ATOM 950 N N . GLN A 1 121 ? 48.035 5.067 -2.866 1.00 8.55 ? 121 GLN A N 1 ATOM 951 C CA . GLN A 1 121 ? 47.992 3.672 -2.353 1.00 8.02 ? 121 GLN A CA 1 ATOM 952 C C . GLN A 1 121 ? 48.298 3.659 -0.806 1.00 6.55 ? 121 GLN A C 1 ATOM 953 O O . GLN A 1 121 ? 48.548 2.599 -0.226 1.00 9.57 ? 121 GLN A O 1 ATOM 954 C CB . GLN A 1 121 ? 49.002 2.809 -3.125 1.00 7.96 ? 121 GLN A CB 1 ATOM 955 C CG . GLN A 1 121 ? 48.656 2.797 -4.626 1.00 9.14 ? 121 GLN A CG 1 ATOM 956 C CD . GLN A 1 121 ? 49.650 2.077 -5.501 1.00 9.56 ? 121 GLN A CD 1 ATOM 957 O OE1 . GLN A 1 121 ? 50.872 2.233 -5.347 1.00 10.45 ? 121 GLN A OE1 1 ATOM 958 N NE2 . GLN A 1 121 ? 49.133 1.323 -6.460 1.00 9.62 ? 121 GLN A NE2 1 ATOM 959 N N . GLY A 1 122 ? 48.265 4.838 -0.168 1.00 6.85 ? 122 GLY A N 1 ATOM 960 C CA . GLY A 1 122 ? 48.509 4.948 1.293 1.00 8.53 ? 122 GLY A CA 1 ATOM 961 C C . GLY A 1 122 ? 47.197 5.009 2.048 1.00 6.85 ? 122 GLY A C 1 ATOM 962 O O . GLY A 1 122 ? 46.233 5.716 1.611 1.00 9.41 ? 122 GLY A O 1 ATOM 963 N N . TRP A 1 123 ? 47.114 4.315 3.181 1.00 8.08 ? 123 TRP A N 1 ATOM 964 C CA . TRP A 1 123 ? 45.860 4.276 3.984 1.00 7.96 ? 123 TRP A CA 1 ATOM 965 C C . TRP A 1 123 ? 46.220 4.264 5.470 1.00 8.50 ? 123 TRP A C 1 ATOM 966 O O . TRP A 1 123 ? 47.327 3.809 5.852 1.00 10.30 ? 123 TRP A O 1 ATOM 967 C CB . TRP A 1 123 ? 45.081 2.979 3.673 1.00 10.73 ? 123 TRP A CB 1 ATOM 968 C CG . TRP A 1 123 ? 44.848 2.833 2.190 1.00 7.92 ? 123 TRP A CG 1 ATOM 969 C CD1 . TRP A 1 123 ? 45.658 2.213 1.281 1.00 10.73 ? 123 TRP A CD1 1 ATOM 970 C CD2 . TRP A 1 123 ? 43.728 3.368 1.442 1.00 8.09 ? 123 TRP A CD2 1 ATOM 971 N NE1 . TRP A 1 123 ? 45.112 2.315 -0.014 1.00 9.87 ? 123 TRP A NE1 1 ATOM 972 C CE2 . TRP A 1 123 ? 43.970 3.097 0.074 1.00 7.84 ? 123 TRP A CE2 1 ATOM 973 C CE3 . TRP A 1 123 ? 42.617 4.161 1.791 1.00 8.55 ? 123 TRP A CE3 1 ATOM 974 C CZ2 . TRP A 1 123 ? 43.071 3.492 -0.943 1.00 10.14 ? 123 TRP A CZ2 1 ATOM 975 C CZ3 . TRP A 1 123 ? 41.719 4.553 0.761 1.00 9.60 ? 123 TRP A CZ3 1 ATOM 976 C CH2 . TRP A 1 123 ? 41.978 4.245 -0.584 1.00 11.33 ? 123 TRP A CH2 1 ATOM 977 N N . THR A 1 124 ? 45.290 4.701 6.306 1.00 7.97 ? 124 THR A N 1 ATOM 978 C CA . THR A 1 124 ? 45.491 4.668 7.738 1.00 9.06 ? 124 THR A CA 1 ATOM 979 C C . THR A 1 124 ? 44.242 4.121 8.402 1.00 10.48 ? 124 THR A C 1 ATOM 980 O O . THR A 1 124 ? 43.151 4.657 8.216 1.00 9.72 ? 124 THR A O 1 ATOM 981 C CB . THR A 1 124 ? 45.807 6.082 8.291 1.00 8.19 ? 124 THR A CB 1 ATOM 982 O OG1 . THR A 1 124 ? 47.033 6.546 7.707 1.00 10.54 ? 124 THR A OG1 1 ATOM 983 C CG2 . THR A 1 124 ? 45.989 6.052 9.847 1.00 11.43 ? 124 THR A CG2 1 ATOM 984 N N . VAL A 1 125 ? 44.412 3.049 9.201 1.00 10.01 ? 125 VAL A N 1 ATOM 985 C CA . VAL A 1 125 ? 43.303 2.443 9.918 1.00 10.31 ? 125 VAL A CA 1 ATOM 986 C C . VAL A 1 125 ? 43.180 3.134 11.296 1.00 11.36 ? 125 VAL A C 1 ATOM 987 O O . VAL A 1 125 ? 44.085 3.037 12.131 1.00 13.64 ? 125 VAL A O 1 ATOM 988 C CB . VAL A 1 125 ? 43.543 0.937 10.034 1.00 8.01 ? 125 VAL A CB 1 ATOM 989 C CG1 . VAL A 1 125 ? 42.410 0.270 10.860 1.00 12.39 ? 125 VAL A CG1 1 ATOM 990 C CG2 . VAL A 1 125 ? 43.667 0.315 8.616 1.00 10.56 ? 125 VAL A CG2 1 ATOM 991 N N . THR A 1 126 ? 42.081 3.870 11.510 1.00 10.58 ? 126 THR A N 1 ATOM 992 C CA . THR A 1 126 ? 42.004 4.708 12.704 1.00 9.74 ? 126 THR A CA 1 ATOM 993 C C . THR A 1 126 ? 40.584 5.107 13.024 1.00 10.16 ? 126 THR A C 1 ATOM 994 O O . THR A 1 126 ? 39.728 5.110 12.122 1.00 11.85 ? 126 THR A O 1 ATOM 995 C CB . THR A 1 126 ? 42.859 5.962 12.478 1.00 8.90 ? 126 THR A CB 1 ATOM 996 O OG1 . THR A 1 126 ? 42.824 6.804 13.632 1.00 11.18 ? 126 THR A OG1 1 ATOM 997 C CG2 . THR A 1 126 ? 42.311 6.748 11.250 1.00 11.60 ? 126 THR A CG2 1 ATOM 998 N N . ASN A 1 127 ? 40.339 5.440 14.299 1.00 10.55 ? 127 ASN A N 1 ATOM 999 C CA . ASN A 1 127 ? 39.089 6.047 14.706 1.00 12.51 ? 127 ASN A CA 1 ATOM 1000 C C . ASN A 1 127 ? 39.094 7.548 14.609 1.00 13.16 ? 127 ASN A C 1 ATOM 1001 O O . ASN A 1 127 ? 38.027 8.173 14.616 1.00 17.25 ? 127 ASN A O 1 ATOM 1002 C CB . ASN A 1 127 ? 38.798 5.666 16.148 1.00 15.70 ? 127 ASN A CB 1 ATOM 1003 C CG . ASN A 1 127 ? 37.892 4.474 16.280 1.00 14.02 ? 127 ASN A CG 1 ATOM 1004 O OD1 . ASN A 1 127 ? 37.385 3.890 15.294 1.00 11.45 ? 127 ASN A OD1 1 ATOM 1005 N ND2 . ASN A 1 127 ? 37.667 4.095 17.536 1.00 19.29 ? 127 ASN A ND2 1 ATOM 1006 N N . ASN A 1 128 ? 40.280 8.148 14.492 1.00 10.66 ? 128 ASN A N 1 ATOM 1007 C CA . ASN A 1 128 ? 40.349 9.603 14.369 1.00 11.99 ? 128 ASN A CA 1 ATOM 1008 C C . ASN A 1 128 ? 40.309 9.945 12.901 1.00 10.65 ? 128 ASN A C 1 ATOM 1009 O O . ASN A 1 128 ? 41.290 9.670 12.196 1.00 15.32 ? 128 ASN A O 1 ATOM 1010 C CB . ASN A 1 128 ? 41.639 10.168 15.018 1.00 13.07 ? 128 ASN A CB 1 ATOM 1011 C CG . ASN A 1 128 ? 41.753 11.683 14.863 1.00 12.25 ? 128 ASN A CG 1 ATOM 1012 O OD1 . ASN A 1 128 ? 40.908 12.310 14.214 1.00 13.85 ? 128 ASN A OD1 1 ATOM 1013 N ND2 . ASN A 1 128 ? 42.759 12.289 15.511 1.00 16.36 ? 128 ASN A ND2 1 ATOM 1014 N N . VAL A 1 129 ? 39.198 10.504 12.414 1.00 11.37 ? 129 VAL A N 1 ATOM 1015 C CA . VAL A 1 129 ? 39.134 10.737 10.945 1.00 11.85 ? 129 VAL A CA 1 ATOM 1016 C C . VAL A 1 129 ? 39.695 12.074 10.489 1.00 14.08 ? 129 VAL A C 1 ATOM 1017 O O . VAL A 1 129 ? 39.557 12.449 9.290 1.00 13.96 ? 129 VAL A O 1 ATOM 1018 C CB . VAL A 1 129 ? 37.703 10.615 10.421 1.00 12.52 ? 129 VAL A CB 1 ATOM 1019 C CG1 . VAL A 1 129 ? 37.188 9.194 10.691 1.00 16.51 ? 129 VAL A CG1 1 ATOM 1020 C CG2 . VAL A 1 129 ? 36.804 11.688 11.051 1.00 15.36 ? 129 VAL A CG2 1 ATOM 1021 N N . LYS A 1 130 ? 40.330 12.799 11.418 1.00 11.86 ? 130 LYS A N 1 ATOM 1022 C CA . LYS A 1 130 ? 41.004 14.076 11.042 1.00 12.25 ? 130 LYS A CA 1 ATOM 1023 C C . LYS A 1 130 ? 42.521 13.878 11.002 1.00 9.73 ? 130 LYS A C 1 ATOM 1024 O O . LYS A 1 130 ? 43.079 13.087 11.774 1.00 12.90 ? 130 LYS A O 1 ATOM 1025 C CB . LYS A 1 130 ? 40.671 15.166 12.059 1.00 13.44 ? 130 LYS A CB 1 ATOM 1026 C CG . LYS A 1 130 ? 39.142 15.372 12.175 1.00 19.46 ? 130 LYS A CG 1 ATOM 1027 C CD . LYS A 1 130 ? 38.833 16.707 12.810 1.00 34.36 ? 130 LYS A CD 1 ATOM 1028 C CE . LYS A 1 130 ? 37.345 17.025 12.619 1.00 46.93 ? 130 LYS A CE 1 ATOM 1029 N NZ . LYS A 1 130 ? 36.934 16.957 11.166 1.00 60.97 ? 130 LYS A NZ 1 ATOM 1030 N N . PRO A 1 131 ? 43.185 14.580 10.074 1.00 10.29 ? 131 PRO A N 1 ATOM 1031 C CA . PRO A 1 131 ? 44.667 14.496 10.056 1.00 10.76 ? 131 PRO A CA 1 ATOM 1032 C C . PRO A 1 131 ? 45.227 14.864 11.426 1.00 11.44 ? 131 PRO A C 1 ATOM 1033 O O . PRO A 1 131 ? 44.665 15.723 12.101 1.00 13.67 ? 131 PRO A O 1 ATOM 1034 C CB . PRO A 1 131 ? 45.081 15.556 9.013 1.00 14.52 ? 131 PRO A CB 1 ATOM 1035 C CG . PRO A 1 131 ? 43.817 15.787 8.161 1.00 16.66 ? 131 PRO A CG 1 ATOM 1036 C CD . PRO A 1 131 ? 42.598 15.454 9.017 1.00 12.81 ? 131 PRO A CD 1 ATOM 1037 N N . ILE A 1 132 ? 46.347 14.268 11.811 1.00 12.84 ? 132 ILE A N 1 ATOM 1038 C CA . ILE A 1 132 ? 47.001 14.642 13.029 1.00 12.79 ? 132 ILE A CA 1 ATOM 1039 C C . ILE A 1 132 ? 47.871 15.862 12.690 1.00 10.19 ? 132 ILE A C 1 ATOM 1040 O O . ILE A 1 132 ? 48.600 15.842 11.709 1.00 12.56 ? 132 ILE A O 1 ATOM 1041 C CB . ILE A 1 132 ? 47.939 13.503 13.520 1.00 14.18 ? 132 ILE A CB 1 ATOM 1042 C CG1 . ILE A 1 132 ? 47.103 12.190 13.706 1.00 19.40 ? 132 ILE A CG1 1 ATOM 1043 C CG2 . ILE A 1 132 ? 48.729 13.993 14.713 1.00 16.24 ? 132 ILE A CG2 1 ATOM 1044 C CD1 . ILE A 1 132 ? 45.928 12.417 14.610 1.00 27.54 ? 132 ILE A CD1 1 ATOM 1045 N N . VAL A 1 133 ? 47.795 16.904 13.507 1.00 10.35 ? 133 VAL A N 1 ATOM 1046 C CA . VAL A 1 133 ? 48.562 18.134 13.266 1.00 10.63 ? 133 VAL A CA 1 ATOM 1047 C C . VAL A 1 133 ? 49.730 18.229 14.252 1.00 11.20 ? 133 VAL A C 1 ATOM 1048 O O . VAL A 1 133 ? 49.534 18.213 15.472 1.00 12.74 ? 133 VAL A O 1 ATOM 1049 C CB . VAL A 1 133 ? 47.712 19.379 13.220 1.00 13.10 ? 133 VAL A CB 1 ATOM 1050 C CG1 . VAL A 1 133 ? 48.579 20.588 12.765 1.00 14.06 ? 133 VAL A CG1 1 ATOM 1051 C CG2 . VAL A 1 133 ? 46.483 19.196 12.223 1.00 13.27 ? 133 VAL A CG2 1 ATOM 1052 N N . ALA A 1 134 ? 50.949 18.323 13.711 1.00 9.54 ? 134 ALA A N 1 ATOM 1053 C CA . ALA A 1 134 ? 52.138 18.221 14.536 1.00 8.78 ? 134 ALA A CA 1 ATOM 1054 C C . ALA A 1 134 ? 53.271 19.024 13.979 1.00 9.18 ? 134 ALA A C 1 ATOM 1055 O O . ALA A 1 134 ? 53.323 19.291 12.740 1.00 11.70 ? 134 ALA A O 1 ATOM 1056 C CB . ALA A 1 134 ? 52.570 16.771 14.608 1.00 10.76 ? 134 ALA A CB 1 ATOM 1057 N N A SER A 1 135 ? 54.212 19.390 14.848 0.50 10.05 ? 135 SER A N 1 ATOM 1058 N N B SER A 1 135 ? 54.194 19.400 14.872 0.50 8.86 ? 135 SER A N 1 ATOM 1059 C CA A SER A 1 135 ? 55.525 19.863 14.375 0.50 9.24 ? 135 SER A CA 1 ATOM 1060 C CA B SER A 1 135 ? 55.548 19.841 14.469 0.50 6.44 ? 135 SER A CA 1 ATOM 1061 C C A SER A 1 135 ? 56.415 18.638 14.181 0.50 8.32 ? 135 SER A C 1 ATOM 1062 C C B SER A 1 135 ? 56.298 18.578 14.049 0.50 8.66 ? 135 SER A C 1 ATOM 1063 O O A SER A 1 135 ? 56.243 17.598 14.857 0.50 7.36 ? 135 SER A O 1 ATOM 1064 O O B SER A 1 135 ? 55.916 17.457 14.452 0.50 9.15 ? 135 SER A O 1 ATOM 1065 C CB A SER A 1 135 ? 56.150 20.863 15.353 0.50 15.95 ? 135 SER A CB 1 ATOM 1066 C CB B SER A 1 135 ? 56.273 20.556 15.634 0.50 6.86 ? 135 SER A CB 1 ATOM 1067 O OG A SER A 1 135 ? 56.204 20.295 16.637 0.50 22.16 ? 135 SER A OG 1 ATOM 1068 O OG B SER A 1 135 ? 55.540 21.676 16.078 0.50 8.04 ? 135 SER A OG 1 ATOM 1069 N N . ILE A 1 136 ? 57.341 18.741 13.230 1.00 9.41 ? 136 ILE A N 1 ATOM 1070 C CA . ILE A 1 136 ? 58.260 17.666 12.947 1.00 7.64 ? 136 ILE A CA 1 ATOM 1071 C C . ILE A 1 136 ? 59.602 18.156 13.407 1.00 9.99 ? 136 ILE A C 1 ATOM 1072 O O . ILE A 1 136 ? 60.139 19.090 12.822 1.00 9.41 ? 136 ILE A O 1 ATOM 1073 C CB . ILE A 1 136 ? 58.256 17.284 11.428 1.00 8.55 ? 136 ILE A CB 1 ATOM 1074 C CG1 . ILE A 1 136 ? 56.914 16.633 11.090 1.00 9.49 ? 136 ILE A CG1 1 ATOM 1075 C CG2 . ILE A 1 136 ? 59.423 16.330 11.161 1.00 11.84 ? 136 ILE A CG2 1 ATOM 1076 C CD1 . ILE A 1 136 ? 56.695 16.420 9.566 1.00 10.87 ? 136 ILE A CD1 1 ATOM 1077 N N . VAL A 1 137 ? 60.090 17.592 14.522 1.00 8.78 ? 137 VAL A N 1 ATOM 1078 C CA . VAL A 1 137 ? 61.318 18.070 15.169 1.00 9.27 ? 137 VAL A CA 1 ATOM 1079 C C . VAL A 1 137 ? 62.438 17.139 14.743 1.00 9.57 ? 137 VAL A C 1 ATOM 1080 O O . VAL A 1 137 ? 62.319 15.918 14.838 1.00 11.35 ? 137 VAL A O 1 ATOM 1081 C CB . VAL A 1 137 ? 61.192 18.048 16.713 1.00 9.14 ? 137 VAL A CB 1 ATOM 1082 C CG1 . VAL A 1 137 ? 62.510 18.597 17.350 1.00 13.20 ? 137 VAL A CG1 1 ATOM 1083 C CG2 . VAL A 1 137 ? 59.947 18.858 17.154 1.00 10.61 ? 137 VAL A CG2 1 ATOM 1084 N N . GLY A 1 138 ? 63.548 17.729 14.308 1.00 9.40 ? 138 GLY A N 1 ATOM 1085 C CA . GLY A 1 138 ? 64.682 16.955 13.854 1.00 12.69 ? 138 GLY A CA 1 ATOM 1086 C C . GLY A 1 138 ? 65.993 17.477 14.412 1.00 11.48 ? 138 GLY A C 1 ATOM 1087 O O . GLY A 1 138 ? 66.097 17.857 15.592 1.00 12.04 ? 138 GLY A O 1 ATOM 1088 N N . TYR A 1 139 ? 66.986 17.514 13.507 1.00 10.79 ? 139 TYR A N 1 ATOM 1089 C CA . TYR A 1 139 ? 68.361 17.780 13.823 1.00 9.88 ? 139 TYR A CA 1 ATOM 1090 C C . TYR A 1 139 ? 68.453 19.091 14.651 1.00 9.83 ? 139 TYR A C 1 ATOM 1091 O O . TYR A 1 139 ? 67.799 20.087 14.304 1.00 11.82 ? 139 TYR A O 1 ATOM 1092 C CB . TYR A 1 139 ? 69.087 17.988 12.489 1.00 12.03 ? 139 TYR A CB 1 ATOM 1093 C CG . TYR A 1 139 ? 70.565 18.176 12.629 1.00 12.29 ? 139 TYR A CG 1 ATOM 1094 C CD1 . TYR A 1 139 ? 71.334 17.268 13.377 1.00 14.67 ? 139 TYR A CD1 1 ATOM 1095 C CD2 . TYR A 1 139 ? 71.175 19.298 12.084 1.00 15.15 ? 139 TYR A CD2 1 ATOM 1096 C CE1 . TYR A 1 139 ? 72.724 17.460 13.540 1.00 15.60 ? 139 TYR A CE1 1 ATOM 1097 C CE2 . TYR A 1 139 ? 72.558 19.491 12.206 1.00 17.20 ? 139 TYR A CE2 1 ATOM 1098 C CZ . TYR A 1 139 ? 73.327 18.571 12.922 1.00 15.14 ? 139 TYR A CZ 1 ATOM 1099 O OH . TYR A 1 139 ? 74.704 18.844 13.044 1.00 20.23 ? 139 TYR A OH 1 ATOM 1100 N N . LYS A 1 140 ? 69.272 19.036 15.715 1.00 13.42 ? 140 LYS A N 1 ATOM 1101 C CA . LYS A 1 140 ? 69.496 20.174 16.629 1.00 12.29 ? 140 LYS A CA 1 ATOM 1102 C C . LYS A 1 140 ? 68.214 20.636 17.345 1.00 12.59 ? 140 LYS A C 1 ATOM 1103 O O . LYS A 1 140 ? 68.112 21.744 17.859 1.00 13.76 ? 140 LYS A O 1 ATOM 1104 C CB . LYS A 1 140 ? 70.235 21.328 15.926 1.00 15.53 ? 140 LYS A CB 1 ATOM 1105 C CG . LYS A 1 140 ? 71.649 20.944 15.470 1.00 18.60 ? 140 LYS A CG 1 ATOM 1106 C CD . LYS A 1 140 ? 72.325 22.084 14.778 1.00 22.88 ? 140 LYS A CD 1 ATOM 1107 C CE . LYS A 1 140 ? 73.832 21.852 14.684 1.00 28.19 ? 140 LYS A CE 1 ATOM 1108 N NZ . LYS A 1 140 ? 74.442 21.664 16.063 1.00 35.08 ? 140 LYS A NZ 1 ATOM 1109 N N . GLU A 1 141 ? 67.221 19.752 17.382 1.00 11.61 ? 141 GLU A N 1 ATOM 1110 C CA . GLU A 1 141 ? 65.929 20.048 17.965 1.00 11.31 ? 141 GLU A CA 1 ATOM 1111 C C . GLU A 1 141 ? 65.214 21.194 17.230 1.00 11.85 ? 141 GLU A C 1 ATOM 1112 O O . GLU A 1 141 ? 64.349 21.854 17.785 1.00 12.78 ? 141 GLU A O 1 ATOM 1113 C CB . GLU A 1 141 ? 66.006 20.284 19.493 1.00 11.81 ? 141 GLU A CB 1 ATOM 1114 C CG . GLU A 1 141 ? 66.615 19.127 20.297 1.00 13.27 ? 141 GLU A CG 1 ATOM 1115 C CD . GLU A 1 141 ? 66.015 17.791 19.980 1.00 22.02 ? 141 GLU A CD 1 ATOM 1116 O OE1 . GLU A 1 141 ? 64.807 17.627 20.265 1.00 27.08 ? 141 GLU A OE1 1 ATOM 1117 O OE2 . GLU A 1 141 ? 66.772 16.894 19.458 1.00 35.51 ? 141 GLU A OE2 1 ATOM 1118 N N A MET A 1 142 ? 65.602 21.437 15.973 0.50 10.79 ? 142 MET A N 1 ATOM 1119 N N B MET A 1 142 ? 65.539 21.333 15.944 0.50 9.13 ? 142 MET A N 1 ATOM 1120 C CA A MET A 1 142 ? 64.918 22.442 15.151 0.50 12.06 ? 142 MET A CA 1 ATOM 1121 C CA B MET A 1 142 ? 64.919 22.335 15.090 0.50 7.62 ? 142 MET A CA 1 ATOM 1122 C C A MET A 1 142 ? 63.658 21.794 14.566 0.50 11.32 ? 142 MET A C 1 ATOM 1123 C C B MET A 1 142 ? 63.703 21.728 14.420 0.50 10.22 ? 142 MET A C 1 ATOM 1124 O O A MET A 1 142 ? 63.410 20.605 14.784 0.50 8.94 ? 142 MET A O 1 ATOM 1125 O O B MET A 1 142 ? 63.518 20.510 14.447 0.50 9.77 ? 142 MET A O 1 ATOM 1126 C CB A MET A 1 142 ? 65.861 23.035 14.073 0.50 12.77 ? 142 MET A CB 1 ATOM 1127 C CB B MET A 1 142 ? 65.950 22.862 14.091 0.50 9.10 ? 142 MET A CB 1 ATOM 1128 C CG A MET A 1 142 ? 66.892 24.048 14.649 0.50 14.75 ? 142 MET A CG 1 ATOM 1129 C CG B MET A 1 142 ? 67.102 23.460 14.865 0.50 9.89 ? 142 MET A CG 1 ATOM 1130 S SD A MET A 1 142 ? 68.102 24.603 13.427 0.50 20.47 ? 142 MET A SD 1 ATOM 1131 S SD B MET A 1 142 ? 68.314 24.176 13.788 0.50 9.98 ? 142 MET A SD 1 ATOM 1132 C CE A MET A 1 142 ? 67.127 25.773 12.507 0.50 19.04 ? 142 MET A CE 1 ATOM 1133 C CE B MET A 1 142 ? 67.406 25.554 13.019 0.50 9.27 ? 142 MET A CE 1 ATOM 1134 N N . CYS A 1 143 ? 62.862 22.579 13.843 1.00 10.33 ? 143 CYS A N 1 ATOM 1135 C CA . CYS A 1 143 ? 61.574 22.161 13.297 1.00 8.57 ? 143 CYS A CA 1 ATOM 1136 C C . CYS A 1 143 ? 61.603 22.236 11.789 1.00 9.13 ? 143 CYS A C 1 ATOM 1137 O O . CYS A 1 143 ? 62.132 23.218 11.206 1.00 10.81 ? 143 CYS A O 1 ATOM 1138 C CB . CYS A 1 143 ? 60.472 23.087 13.816 1.00 11.15 ? 143 CYS A CB 1 ATOM 1139 S SG . CYS A 1 143 ? 59.760 22.506 15.426 1.00 11.59 ? 143 CYS A SG 1 ATOM 1140 N N . LEU A 1 144 ? 61.032 21.225 11.145 1.00 8.41 ? 144 LEU A N 1 ATOM 1141 C CA . LEU A 1 144 ? 60.864 21.268 9.681 1.00 8.56 ? 144 LEU A CA 1 ATOM 1142 C C . LEU A 1 144 ? 59.844 22.320 9.320 1.00 9.35 ? 144 LEU A C 1 ATOM 1143 O O . LEU A 1 144 ? 58.777 22.404 9.941 1.00 11.27 ? 144 LEU A O 1 ATOM 1144 C CB . LEU A 1 144 ? 60.408 19.913 9.166 1.00 8.33 ? 144 LEU A CB 1 ATOM 1145 C CG . LEU A 1 144 ? 60.432 19.700 7.630 1.00 8.37 ? 144 LEU A CG 1 ATOM 1146 C CD1 . LEU A 1 144 ? 61.845 19.711 7.035 1.00 11.65 ? 144 LEU A CD1 1 ATOM 1147 C CD2 . LEU A 1 144 ? 59.646 18.448 7.278 1.00 11.91 ? 144 LEU A CD2 1 ATOM 1148 N N . GLN A 1 145 ? 60.132 23.093 8.280 1.00 9.83 ? 145 GLN A N 1 ATOM 1149 C CA . GLN A 1 145 ? 59.262 24.229 7.927 1.00 9.38 ? 145 GLN A CA 1 ATOM 1150 C C . GLN A 1 145 ? 59.066 24.290 6.426 1.00 9.46 ? 145 GLN A C 1 ATOM 1151 O O . GLN A 1 145 ? 60.029 24.135 5.645 1.00 10.05 ? 145 GLN A O 1 ATOM 1152 C CB . GLN A 1 145 ? 59.924 25.527 8.443 1.00 11.28 ? 145 GLN A CB 1 ATOM 1153 C CG . GLN A 1 145 ? 59.044 26.731 8.242 1.00 12.73 ? 145 GLN A CG 1 ATOM 1154 C CD . GLN A 1 145 ? 59.698 27.971 8.733 1.00 16.10 ? 145 GLN A CD 1 ATOM 1155 O OE1 . GLN A 1 145 ? 59.899 28.137 9.955 1.00 13.10 ? 145 GLN A OE1 1 ATOM 1156 N NE2 . GLN A 1 145 ? 60.076 28.875 7.776 1.00 15.54 ? 145 GLN A NE2 1 ATOM 1157 N N . SER A 1 146 ? 57.835 24.542 6.011 1.00 10.93 ? 146 SER A N 1 ATOM 1158 C CA . SER A 1 146 ? 57.578 24.846 4.580 1.00 10.90 ? 146 SER A CA 1 ATOM 1159 C C . SER A 1 146 ? 57.794 26.329 4.282 1.00 11.61 ? 146 SER A C 1 ATOM 1160 O O . SER A 1 146 ? 57.794 27.152 5.183 1.00 12.42 ? 146 SER A O 1 ATOM 1161 C CB . SER A 1 146 ? 56.134 24.450 4.212 1.00 10.61 ? 146 SER A CB 1 ATOM 1162 O OG . SER A 1 146 ? 55.182 25.111 5.026 1.00 12.71 ? 146 SER A OG 1 ATOM 1163 N N . ASN A 1 147 ? 57.918 26.649 2.984 1.00 12.08 ? 147 ASN A N 1 ATOM 1164 C CA . ASN A 1 147 ? 58.231 27.996 2.573 1.00 14.38 ? 147 ASN A CA 1 ATOM 1165 C C . ASN A 1 147 ? 57.544 28.371 1.261 1.00 17.00 ? 147 ASN A C 1 ATOM 1166 O O . ASN A 1 147 ? 58.094 29.163 0.479 1.00 15.83 ? 147 ASN A O 1 ATOM 1167 C CB . ASN A 1 147 ? 59.760 28.091 2.445 1.00 16.49 ? 147 ASN A CB 1 ATOM 1168 C CG . ASN A 1 147 ? 60.430 27.835 3.757 1.00 15.68 ? 147 ASN A CG 1 ATOM 1169 O OD1 . ASN A 1 147 ? 60.448 28.710 4.669 1.00 15.22 ? 147 ASN A OD1 1 ATOM 1170 N ND2 . ASN A 1 147 ? 60.895 26.599 3.929 1.00 15.82 ? 147 ASN A ND2 1 ATOM 1171 N N . GLY A 1 148 ? 56.377 27.784 1.006 1.00 14.53 ? 148 GLY A N 1 ATOM 1172 C CA . GLY A 1 148 ? 55.620 28.083 -0.207 1.00 17.55 ? 148 GLY A CA 1 ATOM 1173 C C . GLY A 1 148 ? 55.650 26.970 -1.238 1.00 17.73 ? 148 GLY A C 1 ATOM 1174 O O . GLY A 1 148 ? 56.573 26.146 -1.272 1.00 14.38 ? 148 GLY A O 1 ATOM 1175 N N . GLU A 1 149 ? 54.663 26.984 -2.119 1.00 15.58 ? 149 GLU A N 1 ATOM 1176 C CA . GLU A 1 149 ? 54.594 26.006 -3.217 1.00 13.70 ? 149 GLU A CA 1 ATOM 1177 C C . GLU A 1 149 ? 55.838 26.104 -4.090 1.00 12.52 ? 149 GLU A C 1 ATOM 1178 O O . GLU A 1 149 ? 56.348 27.210 -4.328 1.00 16.54 ? 149 GLU A O 1 ATOM 1179 C CB . GLU A 1 149 ? 53.298 26.210 -4.022 1.00 15.48 ? 149 GLU A CB 1 ATOM 1180 C CG . GLU A 1 149 ? 53.058 25.191 -5.078 1.00 17.36 ? 149 GLU A CG 1 ATOM 1181 C CD . GLU A 1 149 ? 51.701 25.405 -5.783 1.00 16.37 ? 149 GLU A CD 1 ATOM 1182 O OE1 . GLU A 1 149 ? 50.953 26.374 -5.416 1.00 24.78 ? 149 GLU A OE1 1 ATOM 1183 O OE2 . GLU A 1 149 ? 51.411 24.632 -6.725 1.00 23.94 ? 149 GLU A OE2 1 ATOM 1184 N N . ASN A 1 150 ? 56.362 24.938 -4.503 1.00 12.98 ? 150 ASN A N 1 ATOM 1185 C CA . ASN A 1 150 ? 57.536 24.846 -5.378 1.00 11.67 ? 150 ASN A CA 1 ATOM 1186 C C . ASN A 1 150 ? 58.840 25.187 -4.679 1.00 13.72 ? 150 ASN A C 1 ATOM 1187 O O . ASN A 1 150 ? 59.879 25.020 -5.297 1.00 19.67 ? 150 ASN A O 1 ATOM 1188 C CB . ASN A 1 150 ? 57.394 25.709 -6.685 1.00 13.99 ? 150 ASN A CB 1 ATOM 1189 C CG . ASN A 1 150 ? 56.211 25.292 -7.537 1.00 14.39 ? 150 ASN A CG 1 ATOM 1190 O OD1 . ASN A 1 150 ? 55.283 26.054 -7.766 1.00 19.20 ? 150 ASN A OD1 1 ATOM 1191 N ND2 . ASN A 1 150 ? 56.230 24.055 -7.986 1.00 18.81 ? 150 ASN A ND2 1 ATOM 1192 N N . ASN A 1 151 ? 58.804 25.605 -3.395 1.00 11.13 ? 151 ASN A N 1 ATOM 1193 C CA . ASN A 1 151 ? 60.017 25.946 -2.673 1.00 12.78 ? 151 ASN A CA 1 ATOM 1194 C C . ASN A 1 151 ? 60.481 24.796 -1.775 1.00 12.56 ? 151 ASN A C 1 ATOM 1195 O O . ASN A 1 151 ? 59.694 23.869 -1.453 1.00 11.34 ? 151 ASN A O 1 ATOM 1196 C CB . ASN A 1 151 ? 59.734 27.128 -1.762 1.00 12.69 ? 151 ASN A CB 1 ATOM 1197 C CG . ASN A 1 151 ? 60.937 28.013 -1.566 1.00 16.72 ? 151 ASN A CG 1 ATOM 1198 O OD1 . ASN A 1 151 ? 62.068 27.644 -1.924 1.00 16.88 ? 151 ASN A OD1 1 ATOM 1199 N ND2 . ASN A 1 151 ? 60.709 29.207 -1.004 1.00 16.41 ? 151 ASN A ND2 1 ATOM 1200 N N . GLY A 1 152 ? 61.742 24.857 -1.326 1.00 11.24 ? 152 GLY A N 1 ATOM 1201 C CA . GLY A 1 152 ? 62.270 23.794 -0.446 1.00 10.89 ? 152 GLY A CA 1 ATOM 1202 C C . GLY A 1 152 ? 61.604 23.829 0.919 1.00 11.78 ? 152 GLY A C 1 ATOM 1203 O O . GLY A 1 152 ? 61.055 24.869 1.356 1.00 15.10 ? 152 GLY A O 1 ATOM 1204 N N . VAL A 1 153 ? 61.607 22.686 1.604 1.00 9.53 ? 153 VAL A N 1 ATOM 1205 C CA . VAL A 1 153 ? 61.413 22.716 3.047 1.00 9.37 ? 153 VAL A CA 1 ATOM 1206 C C . VAL A 1 153 ? 62.783 22.874 3.719 1.00 10.90 ? 153 VAL A C 1 ATOM 1207 O O . VAL A 1 153 ? 63.812 22.486 3.126 1.00 11.92 ? 153 VAL A O 1 ATOM 1208 C CB . VAL A 1 153 ? 60.704 21.423 3.547 1.00 11.17 ? 153 VAL A CB 1 ATOM 1209 C CG1 . VAL A 1 153 ? 59.280 21.313 2.956 1.00 12.38 ? 153 VAL A CG1 1 ATOM 1210 C CG2 . VAL A 1 153 ? 61.520 20.174 3.252 1.00 11.91 ? 153 VAL A CG2 1 ATOM 1211 N N . TRP A 1 154 ? 62.844 23.380 4.948 1.00 9.65 ? 154 TRP A N 1 ATOM 1212 C CA . TRP A 1 154 ? 64.122 23.445 5.663 1.00 11.12 ? 154 TRP A CA 1 ATOM 1213 C C . TRP A 1 154 ? 63.930 23.619 7.145 1.00 10.16 ? 154 TRP A C 1 ATOM 1214 O O . TRP A 1 154 ? 62.786 23.729 7.614 1.00 11.03 ? 154 TRP A O 1 ATOM 1215 C CB . TRP A 1 154 ? 65.097 24.516 5.106 1.00 13.66 ? 154 TRP A CB 1 ATOM 1216 C CG . TRP A 1 154 ? 64.582 25.872 5.010 1.00 12.38 ? 154 TRP A CG 1 ATOM 1217 C CD1 . TRP A 1 154 ? 64.436 26.759 6.023 1.00 15.59 ? 154 TRP A CD1 1 ATOM 1218 C CD2 . TRP A 1 154 ? 64.213 26.565 3.802 1.00 16.38 ? 154 TRP A CD2 1 ATOM 1219 N NE1 . TRP A 1 154 ? 63.957 27.954 5.536 1.00 17.21 ? 154 TRP A NE1 1 ATOM 1220 C CE2 . TRP A 1 154 ? 63.821 27.855 4.171 1.00 17.57 ? 154 TRP A CE2 1 ATOM 1221 C CE3 . TRP A 1 154 ? 64.170 26.207 2.451 1.00 16.37 ? 154 TRP A CE3 1 ATOM 1222 C CZ2 . TRP A 1 154 ? 63.381 28.808 3.226 1.00 23.02 ? 154 TRP A CZ2 1 ATOM 1223 C CZ3 . TRP A 1 154 ? 63.711 27.153 1.504 1.00 16.31 ? 154 TRP A CZ3 1 ATOM 1224 C CH2 . TRP A 1 154 ? 63.333 28.422 1.902 1.00 18.07 ? 154 TRP A CH2 1 ATOM 1225 N N . MET A 1 155 ? 65.047 23.620 7.901 1.00 10.65 ? 155 MET A N 1 ATOM 1226 C CA . MET A 1 155 ? 64.950 23.652 9.379 1.00 10.53 ? 155 MET A CA 1 ATOM 1227 C C . MET A 1 155 ? 64.948 25.092 9.906 1.00 11.09 ? 155 MET A C 1 ATOM 1228 O O . MET A 1 155 ? 65.686 25.936 9.375 1.00 12.46 ? 155 MET A O 1 ATOM 1229 C CB . MET A 1 155 ? 66.163 22.937 10.005 1.00 10.81 ? 155 MET A CB 1 ATOM 1230 C CG . MET A 1 155 ? 66.368 21.515 9.554 1.00 10.20 ? 155 MET A CG 1 ATOM 1231 S SD . MET A 1 155 ? 64.841 20.477 9.719 1.00 12.08 ? 155 MET A SD 1 ATOM 1232 C CE . MET A 1 155 ? 64.798 20.392 11.544 1.00 12.21 ? 155 MET A CE 1 ATOM 1233 N N A GLU A 1 156 ? 64.141 25.341 10.939 0.50 11.98 ? 156 GLU A N 1 ATOM 1234 N N B GLU A 1 156 ? 64.130 25.366 10.935 0.50 9.68 ? 156 GLU A N 1 ATOM 1235 C CA A GLU A 1 156 ? 64.197 26.594 11.683 0.50 13.21 ? 156 GLU A CA 1 ATOM 1236 C CA B GLU A 1 156 ? 64.120 26.665 11.646 0.50 8.31 ? 156 GLU A CA 1 ATOM 1237 C C A GLU A 1 156 ? 64.054 26.269 13.174 0.50 11.87 ? 156 GLU A C 1 ATOM 1238 C C B GLU A 1 156 ? 63.853 26.382 13.133 0.50 8.50 ? 156 GLU A C 1 ATOM 1239 O O A GLU A 1 156 ? 63.694 25.139 13.550 0.50 10.75 ? 156 GLU A O 1 ATOM 1240 O O B GLU A 1 156 ? 63.201 25.376 13.467 0.50 8.96 ? 156 GLU A O 1 ATOM 1241 C CB A GLU A 1 156 ? 63.103 27.578 11.234 0.50 14.79 ? 156 GLU A CB 1 ATOM 1242 C CB B GLU A 1 156 ? 63.045 27.621 11.102 0.50 8.29 ? 156 GLU A CB 1 ATOM 1243 C CG A GLU A 1 156 ? 63.235 28.937 11.917 0.50 15.26 ? 156 GLU A CG 1 ATOM 1244 C CG B GLU A 1 156 ? 63.222 28.010 9.656 0.50 6.91 ? 156 GLU A CG 1 ATOM 1245 C CD A GLU A 1 156 ? 64.680 29.512 11.809 0.50 19.41 ? 156 GLU A CD 1 ATOM 1246 C CD B GLU A 1 156 ? 64.398 28.911 9.374 0.50 10.29 ? 156 GLU A CD 1 ATOM 1247 O OE1 A GLU A 1 156 ? 65.511 29.529 12.814 0.50 12.45 ? 156 GLU A OE1 1 ATOM 1248 O OE1 B GLU A 1 156 ? 64.720 29.116 8.187 0.50 11.90 ? 156 GLU A OE1 1 ATOM 1249 O OE2 A GLU A 1 156 ? 64.972 29.914 10.661 0.50 23.57 ? 156 GLU A OE2 1 ATOM 1250 O OE2 B GLU A 1 156 ? 65.003 29.436 10.321 0.50 13.26 ? 156 GLU A OE2 1 ATOM 1251 N N . ASP A 1 157 ? 64.344 27.250 14.030 1.00 12.00 ? 157 ASP A N 1 ATOM 1252 C CA . ASP A 1 157 ? 64.044 27.103 15.479 1.00 10.01 ? 157 ASP A CA 1 ATOM 1253 C C . ASP A 1 157 ? 62.527 26.906 15.642 1.00 10.89 ? 157 ASP A C 1 ATOM 1254 O O . ASP A 1 157 ? 61.725 27.611 15.001 1.00 12.42 ? 157 ASP A O 1 ATOM 1255 C CB . ASP A 1 157 ? 64.478 28.347 16.238 1.00 12.88 ? 157 ASP A CB 1 ATOM 1256 C CG . ASP A 1 157 ? 65.971 28.508 16.280 1.00 17.61 ? 157 ASP A CG 1 ATOM 1257 O OD1 . ASP A 1 157 ? 66.725 27.563 16.078 1.00 16.88 ? 157 ASP A OD1 1 ATOM 1258 O OD2 . ASP A 1 157 ? 66.385 29.636 16.551 1.00 22.21 ? 157 ASP A OD2 1 ATOM 1259 N N . CYS A 1 158 ? 62.138 25.948 16.476 1.00 10.17 ? 158 CYS A N 1 ATOM 1260 C CA . CYS A 1 158 ? 60.714 25.653 16.703 1.00 9.83 ? 158 CYS A CA 1 ATOM 1261 C C . CYS A 1 158 ? 60.019 26.835 17.350 1.00 14.09 ? 158 CYS A C 1 ATOM 1262 O O . CYS A 1 158 ? 60.533 27.393 18.353 1.00 14.88 ? 158 CYS A O 1 ATOM 1263 C CB . CYS A 1 158 ? 60.552 24.467 17.639 1.00 11.45 ? 158 CYS A CB 1 ATOM 1264 S SG . CYS A 1 158 ? 61.163 22.949 16.850 1.00 12.00 ? 158 CYS A SG 1 ATOM 1265 N N A GLU A 1 159 ? 58.870 27.205 16.777 0.50 10.59 ? 159 GLU A N 1 ATOM 1266 N N B GLU A 1 159 ? 58.862 27.210 16.807 0.50 11.07 ? 159 GLU A N 1 ATOM 1267 C CA A GLU A 1 159 ? 58.048 28.304 17.270 0.50 13.33 ? 159 GLU A CA 1 ATOM 1268 C CA B GLU A 1 159 ? 58.092 28.323 17.352 0.50 14.20 ? 159 GLU A CA 1 ATOM 1269 C C A GLU A 1 159 ? 56.630 27.819 17.313 0.50 8.72 ? 159 GLU A C 1 ATOM 1270 C C B GLU A 1 159 ? 56.638 27.946 17.310 0.50 9.29 ? 159 GLU A C 1 ATOM 1271 O O A GLU A 1 159 ? 56.095 27.362 16.282 0.50 13.86 ? 159 GLU A O 1 ATOM 1272 O O B GLU A 1 159 ? 56.090 27.728 16.223 0.50 13.38 ? 159 GLU A O 1 ATOM 1273 C CB A GLU A 1 159 ? 58.116 29.507 16.333 0.50 12.89 ? 159 GLU A CB 1 ATOM 1274 C CB B GLU A 1 159 ? 58.299 29.593 16.523 0.50 13.77 ? 159 GLU A CB 1 ATOM 1275 C CG A GLU A 1 159 ? 59.437 30.211 16.363 0.50 12.52 ? 159 GLU A CG 1 ATOM 1276 C CG B GLU A 1 159 ? 59.711 30.146 16.527 0.50 17.53 ? 159 GLU A CG 1 ATOM 1277 C CD A GLU A 1 159 ? 59.515 31.435 15.473 0.50 13.00 ? 159 GLU A CD 1 ATOM 1278 C CD B GLU A 1 159 ? 60.152 30.684 17.881 0.50 23.27 ? 159 GLU A CD 1 ATOM 1279 O OE1 A GLU A 1 159 ? 58.647 31.661 14.584 0.50 16.17 ? 159 GLU A OE1 1 ATOM 1280 O OE1 B GLU A 1 159 ? 59.281 30.857 18.791 0.50 21.27 ? 159 GLU A OE1 1 ATOM 1281 O OE2 A GLU A 1 159 ? 60.522 32.149 15.607 0.50 17.18 ? 159 GLU A OE2 1 ATOM 1282 O OE2 B GLU A 1 159 ? 61.386 30.932 18.023 0.50 24.50 ? 159 GLU A OE2 1 ATOM 1283 N N . ALA A 1 160 ? 56.003 27.941 18.486 1.00 13.49 ? 160 ALA A N 1 ATOM 1284 C CA . ALA A 1 160 ? 54.588 27.592 18.604 1.00 13.96 ? 160 ALA A CA 1 ATOM 1285 C C . ALA A 1 160 ? 53.707 28.397 17.636 1.00 14.71 ? 160 ALA A C 1 ATOM 1286 O O . ALA A 1 160 ? 52.659 27.900 17.191 1.00 18.35 ? 160 ALA A O 1 ATOM 1287 C CB . ALA A 1 160 ? 54.155 27.805 20.056 1.00 15.29 ? 160 ALA A CB 1 ATOM 1288 N N . THR A 1 161 ? 54.136 29.616 17.285 1.00 12.55 ? 161 THR A N 1 ATOM 1289 C CA . THR A 1 161 ? 53.374 30.504 16.436 1.00 13.93 ? 161 THR A CA 1 ATOM 1290 C C . THR A 1 161 ? 53.708 30.422 14.953 1.00 13.75 ? 161 THR A C 1 ATOM 1291 O O . THR A 1 161 ? 53.099 31.154 14.151 1.00 16.15 ? 161 THR A O 1 ATOM 1292 C CB . THR A 1 161 ? 53.606 32.017 16.896 1.00 14.82 ? 161 THR A CB 1 ATOM 1293 O OG1 . THR A 1 161 ? 55.016 32.320 16.883 1.00 14.64 ? 161 THR A OG1 1 ATOM 1294 C CG2 . THR A 1 161 ? 53.071 32.243 18.302 1.00 15.19 ? 161 THR A CG2 1 ATOM 1295 N N . SER A 1 162 ? 54.647 29.538 14.534 1.00 10.28 ? 162 SER A N 1 ATOM 1296 C CA . SER A 1 162 ? 54.979 29.458 13.102 1.00 11.31 ? 162 SER A CA 1 ATOM 1297 C C . SER A 1 162 ? 54.029 28.471 12.444 1.00 10.72 ? 162 SER A C 1 ATOM 1298 O O . SER A 1 162 ? 54.154 27.255 12.641 1.00 10.85 ? 162 SER A O 1 ATOM 1299 C CB . SER A 1 162 ? 56.427 28.970 12.889 1.00 11.01 ? 162 SER A CB 1 ATOM 1300 O OG . SER A 1 162 ? 56.602 28.664 11.487 1.00 12.58 ? 162 SER A OG 1 ATOM 1301 N N . LEU A 1 163 ? 53.104 28.950 11.616 1.00 10.99 ? 163 LEU A N 1 ATOM 1302 C CA . LEU A 1 163 ? 52.159 28.053 11.005 1.00 11.59 ? 163 LEU A CA 1 ATOM 1303 C C . LEU A 1 163 ? 52.875 27.206 9.957 1.00 9.98 ? 163 LEU A C 1 ATOM 1304 O O . LEU A 1 163 ? 52.435 26.083 9.688 1.00 10.90 ? 163 LEU A O 1 ATOM 1305 C CB . LEU A 1 163 ? 51.020 28.800 10.347 1.00 12.91 ? 163 LEU A CB 1 ATOM 1306 C CG . LEU A 1 163 ? 50.114 29.639 11.240 1.00 18.21 ? 163 LEU A CG 1 ATOM 1307 C CD1 . LEU A 1 163 ? 48.818 29.981 10.493 1.00 22.90 ? 163 LEU A CD1 1 ATOM 1308 C CD2 . LEU A 1 163 ? 49.813 28.990 12.502 1.00 22.02 ? 163 LEU A CD2 1 ATOM 1309 N N . GLN A 1 164 ? 53.966 27.700 9.358 1.00 10.97 ? 164 GLN A N 1 ATOM 1310 C CA . GLN A 1 164 ? 54.659 26.896 8.341 1.00 11.93 ? 164 GLN A CA 1 ATOM 1311 C C . GLN A 1 164 ? 55.427 25.740 8.951 1.00 11.23 ? 164 GLN A C 1 ATOM 1312 O O . GLN A 1 164 ? 55.936 24.911 8.207 1.00 11.85 ? 164 GLN A O 1 ATOM 1313 C CB . GLN A 1 164 ? 55.585 27.775 7.496 1.00 12.32 ? 164 GLN A CB 1 ATOM 1314 C CG . GLN A 1 164 ? 54.725 28.633 6.499 1.00 15.37 ? 164 GLN A CG 1 ATOM 1315 C CD . GLN A 1 164 ? 55.611 29.423 5.500 1.00 15.44 ? 164 GLN A CD 1 ATOM 1316 O OE1 . GLN A 1 164 ? 56.439 30.281 5.882 1.00 18.84 ? 164 GLN A OE1 1 ATOM 1317 N NE2 . GLN A 1 164 ? 55.418 29.152 4.225 1.00 12.85 ? 164 GLN A NE2 1 ATOM 1318 N N . GLN A 1 165 ? 55.499 25.676 10.303 1.00 9.43 ? 165 GLN A N 1 ATOM 1319 C CA . GLN A 1 165 ? 56.048 24.509 10.983 1.00 9.28 ? 165 GLN A CA 1 ATOM 1320 C C . GLN A 1 165 ? 54.978 23.508 11.345 1.00 7.97 ? 165 GLN A C 1 ATOM 1321 O O . GLN A 1 165 ? 55.277 22.525 12.024 1.00 9.77 ? 165 GLN A O 1 ATOM 1322 C CB . GLN A 1 165 ? 56.793 24.943 12.248 1.00 9.21 ? 165 GLN A CB 1 ATOM 1323 C CG . GLN A 1 165 ? 58.078 25.688 11.863 1.00 9.13 ? 165 GLN A CG 1 ATOM 1324 C CD . GLN A 1 165 ? 58.798 26.239 13.069 1.00 10.78 ? 165 GLN A CD 1 ATOM 1325 O OE1 . GLN A 1 165 ? 58.504 25.847 14.224 1.00 10.01 ? 165 GLN A OE1 1 ATOM 1326 N NE2 . GLN A 1 165 ? 59.766 27.137 12.827 1.00 12.01 ? 165 GLN A NE2 1 ATOM 1327 N N . GLN A 1 166 ? 53.742 23.751 10.931 1.00 8.02 ? 166 GLN A N 1 ATOM 1328 C CA . GLN A 1 166 ? 52.627 22.879 11.307 1.00 7.88 ? 166 GLN A CA 1 ATOM 1329 C C . GLN A 1 166 ? 52.279 21.973 10.151 1.00 9.64 ? 166 GLN A C 1 ATOM 1330 O O . GLN A 1 166 ? 51.958 22.453 9.056 1.00 10.56 ? 166 GLN A O 1 ATOM 1331 C CB . GLN A 1 166 ? 51.432 23.700 11.764 1.00 10.07 ? 166 GLN A CB 1 ATOM 1332 C CG . GLN A 1 166 ? 51.847 24.639 12.915 1.00 9.48 ? 166 GLN A CG 1 ATOM 1333 C CD . GLN A 1 166 ? 50.743 25.431 13.534 1.00 14.43 ? 166 GLN A CD 1 ATOM 1334 O OE1 . GLN A 1 166 ? 49.642 25.549 12.978 1.00 15.60 ? 166 GLN A OE1 1 ATOM 1335 N NE2 . GLN A 1 166 ? 51.078 26.090 14.665 1.00 15.59 ? 166 GLN A NE2 1 ATOM 1336 N N . TRP A 1 167 ? 52.279 20.668 10.411 1.00 8.51 ? 167 TRP A N 1 ATOM 1337 C CA . TRP A 1 167 ? 52.101 19.680 9.327 1.00 9.33 ? 167 TRP A CA 1 ATOM 1338 C C . TRP A 1 167 ? 50.888 18.829 9.623 1.00 9.94 ? 167 TRP A C 1 ATOM 1339 O O . TRP A 1 167 ? 50.685 18.405 10.791 1.00 10.88 ? 167 TRP A O 1 ATOM 1340 C CB . TRP A 1 167 ? 53.313 18.745 9.279 1.00 9.78 ? 167 TRP A CB 1 ATOM 1341 C CG . TRP A 1 167 ? 54.553 19.506 9.050 1.00 7.98 ? 167 TRP A CG 1 ATOM 1342 C CD1 . TRP A 1 167 ? 55.483 19.903 9.966 1.00 9.63 ? 167 TRP A CD1 1 ATOM 1343 C CD2 . TRP A 1 167 ? 54.979 20.008 7.768 1.00 8.93 ? 167 TRP A CD2 1 ATOM 1344 N NE1 . TRP A 1 167 ? 56.510 20.599 9.317 1.00 8.49 ? 167 TRP A NE1 1 ATOM 1345 C CE2 . TRP A 1 167 ? 56.212 20.662 7.964 1.00 8.29 ? 167 TRP A CE2 1 ATOM 1346 C CE3 . TRP A 1 167 ? 54.428 19.940 6.465 1.00 10.58 ? 167 TRP A CE3 1 ATOM 1347 C CZ2 . TRP A 1 167 ? 56.942 21.249 6.881 1.00 10.08 ? 167 TRP A CZ2 1 ATOM 1348 C CZ3 . TRP A 1 167 ? 55.133 20.536 5.393 1.00 9.72 ? 167 TRP A CZ3 1 ATOM 1349 C CH2 . TRP A 1 167 ? 56.393 21.172 5.615 1.00 10.00 ? 167 TRP A CH2 1 ATOM 1350 N N . ALA A 1 168 ? 50.075 18.602 8.594 1.00 9.34 ? 168 ALA A N 1 ATOM 1351 C CA . ALA A 1 168 ? 48.938 17.722 8.703 1.00 10.36 ? 168 ALA A CA 1 ATOM 1352 C C . ALA A 1 168 ? 49.375 16.359 8.195 1.00 8.39 ? 168 ALA A C 1 ATOM 1353 O O . ALA A 1 168 ? 49.746 16.200 7.011 1.00 9.85 ? 168 ALA A O 1 ATOM 1354 C CB . ALA A 1 168 ? 47.751 18.263 7.875 1.00 10.75 ? 168 ALA A CB 1 ATOM 1355 N N . LEU A 1 169 ? 49.351 15.365 9.075 1.00 9.55 ? 169 LEU A N 1 ATOM 1356 C CA . LEU A 1 169 ? 49.812 14.037 8.720 1.00 11.23 ? 169 LEU A CA 1 ATOM 1357 C C . LEU A 1 169 ? 48.530 13.323 8.278 1.00 11.48 ? 169 LEU A C 1 ATOM 1358 O O . LEU A 1 169 ? 47.680 12.931 9.124 1.00 11.51 ? 169 LEU A O 1 ATOM 1359 C CB . LEU A 1 169 ? 50.456 13.372 9.924 1.00 11.20 ? 169 LEU A CB 1 ATOM 1360 C CG . LEU A 1 169 ? 51.581 14.170 10.586 1.00 11.79 ? 169 LEU A CG 1 ATOM 1361 C CD1 . LEU A 1 169 ? 52.114 13.372 11.820 1.00 16.86 ? 169 LEU A CD1 1 ATOM 1362 C CD2 . LEU A 1 169 ? 52.723 14.511 9.559 1.00 17.57 ? 169 LEU A CD2 1 ATOM 1363 N N . TYR A 1 170 ? 48.375 13.227 6.949 1.00 9.00 ? 170 TYR A N 1 ATOM 1364 C CA . TYR A 1 170 ? 47.154 12.726 6.332 1.00 7.40 ? 170 TYR A CA 1 ATOM 1365 C C . TYR A 1 170 ? 47.110 11.200 6.288 1.00 9.15 ? 170 TYR A C 1 ATOM 1366 O O . TYR A 1 170 ? 48.157 10.527 6.293 1.00 9.52 ? 170 TYR A O 1 ATOM 1367 C CB . TYR A 1 170 ? 47.033 13.278 4.883 1.00 9.03 ? 170 TYR A CB 1 ATOM 1368 C CG . TYR A 1 170 ? 46.149 14.496 4.787 1.00 9.61 ? 170 TYR A CG 1 ATOM 1369 C CD1 . TYR A 1 170 ? 46.472 15.701 5.427 1.00 10.54 ? 170 TYR A CD1 1 ATOM 1370 C CD2 . TYR A 1 170 ? 44.966 14.425 4.090 1.00 10.52 ? 170 TYR A CD2 1 ATOM 1371 C CE1 . TYR A 1 170 ? 45.622 16.811 5.370 1.00 9.94 ? 170 TYR A CE1 1 ATOM 1372 C CE2 . TYR A 1 170 ? 44.073 15.545 4.032 1.00 13.49 ? 170 TYR A CE2 1 ATOM 1373 C CZ . TYR A 1 170 ? 44.436 16.727 4.664 1.00 11.29 ? 170 TYR A CZ 1 ATOM 1374 O OH . TYR A 1 170 ? 43.603 17.790 4.592 1.00 15.25 ? 170 TYR A OH 1 ATOM 1375 N N . GLY A 1 171 ? 45.906 10.653 6.187 1.00 8.58 ? 171 GLY A N 1 ATOM 1376 C CA . GLY A 1 171 ? 45.768 9.187 6.205 1.00 9.31 ? 171 GLY A CA 1 ATOM 1377 C C . GLY A 1 171 ? 46.395 8.474 5.009 1.00 8.13 ? 171 GLY A C 1 ATOM 1378 O O . GLY A 1 171 ? 46.670 7.277 5.105 1.00 9.03 ? 171 GLY A O 1 ATOM 1379 N N . ASP A 1 172 ? 46.551 9.199 3.879 1.00 9.31 ? 172 ASP A N 1 ATOM 1380 C CA . ASP A 1 172 ? 47.183 8.613 2.689 1.00 7.80 ? 172 ASP A CA 1 ATOM 1381 C C . ASP A 1 172 ? 48.717 8.652 2.815 1.00 7.16 ? 172 ASP A C 1 ATOM 1382 O O . ASP A 1 172 ? 49.436 8.419 1.832 1.00 9.74 ? 172 ASP A O 1 ATOM 1383 C CB . ASP A 1 172 ? 46.732 9.333 1.404 1.00 8.79 ? 172 ASP A CB 1 ATOM 1384 C CG . ASP A 1 172 ? 46.986 10.841 1.433 1.00 8.22 ? 172 ASP A CG 1 ATOM 1385 O OD1 . ASP A 1 172 ? 47.607 11.339 2.434 1.00 9.13 ? 172 ASP A OD1 1 ATOM 1386 O OD2 . ASP A 1 172 ? 46.606 11.537 0.433 1.00 9.46 ? 172 ASP A OD2 1 ATOM 1387 N N . ARG A 1 173 ? 49.217 8.983 4.003 1.00 7.93 ? 173 ARG A N 1 ATOM 1388 C CA . ARG A 1 173 ? 50.694 8.929 4.250 1.00 7.66 ? 173 ARG A CA 1 ATOM 1389 C C . ARG A 1 173 ? 51.429 10.098 3.574 1.00 8.07 ? 173 ARG A C 1 ATOM 1390 O O . ARG A 1 173 ? 52.637 10.045 3.353 1.00 10.55 ? 173 ARG A O 1 ATOM 1391 C CB . ARG A 1 173 ? 51.305 7.565 3.885 1.00 7.82 ? 173 ARG A CB 1 ATOM 1392 C CG . ARG A 1 173 ? 50.545 6.409 4.516 1.00 9.43 ? 173 ARG A CG 1 ATOM 1393 C CD . ARG A 1 173 ? 50.574 6.472 6.053 1.00 12.17 ? 173 ARG A CD 1 ATOM 1394 N NE . ARG A 1 173 ? 49.784 5.347 6.597 1.00 10.23 ? 173 ARG A NE 1 ATOM 1395 C CZ . ARG A 1 173 ? 50.125 4.651 7.665 1.00 14.30 ? 173 ARG A CZ 1 ATOM 1396 N NH1 . ARG A 1 173 ? 49.340 3.680 8.094 1.00 14.64 ? 173 ARG A NH1 1 ATOM 1397 N NH2 . ARG A 1 173 ? 51.270 4.934 8.316 1.00 19.99 ? 173 ARG A NH2 1 ATOM 1398 N N . THR A 1 174 ? 50.666 11.156 3.251 1.00 7.58 ? 174 THR A N 1 ATOM 1399 C CA . THR A 1 174 ? 51.247 12.413 2.825 1.00 8.44 ? 174 THR A CA 1 ATOM 1400 C C . THR A 1 174 ? 51.479 13.315 4.032 1.00 8.60 ? 174 THR A C 1 ATOM 1401 O O . THR A 1 174 ? 50.865 13.138 5.101 1.00 9.43 ? 174 THR A O 1 ATOM 1402 C CB . THR A 1 174 ? 50.370 13.143 1.773 1.00 8.09 ? 174 THR A CB 1 ATOM 1403 O OG1 . THR A 1 174 ? 49.072 13.427 2.345 1.00 8.84 ? 174 THR A OG1 1 ATOM 1404 C CG2 . THR A 1 174 ? 50.216 12.246 0.474 1.00 8.25 ? 174 THR A CG2 1 ATOM 1405 N N . ILE A 1 175 ? 52.428 14.257 3.868 1.00 8.14 ? 175 ILE A N 1 ATOM 1406 C CA . ILE A 1 175 ? 52.739 15.225 4.917 1.00 6.89 ? 175 ILE A CA 1 ATOM 1407 C C . ILE A 1 175 ? 52.381 16.552 4.287 1.00 8.00 ? 175 ILE A C 1 ATOM 1408 O O . ILE A 1 175 ? 52.988 16.935 3.269 1.00 9.71 ? 175 ILE A O 1 ATOM 1409 C CB . ILE A 1 175 ? 54.225 15.190 5.370 1.00 7.16 ? 175 ILE A CB 1 ATOM 1410 C CG1 . ILE A 1 175 ? 54.571 13.806 5.890 1.00 7.81 ? 175 ILE A CG1 1 ATOM 1411 C CG2 . ILE A 1 175 ? 54.483 16.303 6.428 1.00 9.51 ? 175 ILE A CG2 1 ATOM 1412 C CD1 . ILE A 1 175 ? 56.039 13.605 6.085 1.00 9.86 ? 175 ILE A CD1 1 ATOM 1413 N N . ARG A 1 176 ? 51.319 17.183 4.794 1.00 8.92 ? 176 ARG A N 1 ATOM 1414 C CA . ARG A 1 176 ? 50.801 18.335 4.095 1.00 7.97 ? 176 ARG A CA 1 ATOM 1415 C C . ARG A 1 176 ? 50.985 19.620 4.872 1.00 8.66 ? 176 ARG A C 1 ATOM 1416 O O . ARG A 1 176 ? 51.036 19.625 6.117 1.00 8.95 ? 176 ARG A O 1 ATOM 1417 C CB . ARG A 1 176 ? 49.307 18.115 3.809 1.00 8.22 ? 176 ARG A CB 1 ATOM 1418 C CG . ARG A 1 176 ? 49.036 16.805 3.086 1.00 9.57 ? 176 ARG A CG 1 ATOM 1419 C CD . ARG A 1 176 ? 47.769 16.893 2.286 1.00 10.52 ? 176 ARG A CD 1 ATOM 1420 N NE . ARG A 1 176 ? 47.541 15.649 1.534 1.00 8.19 ? 176 ARG A NE 1 ATOM 1421 C CZ . ARG A 1 176 ? 46.639 15.537 0.549 1.00 8.06 ? 176 ARG A CZ 1 ATOM 1422 N NH1 . ARG A 1 176 ? 46.484 14.354 -0.076 1.00 9.33 ? 176 ARG A NH1 1 ATOM 1423 N NH2 . ARG A 1 176 ? 45.894 16.609 0.187 1.00 10.06 ? 176 ARG A NH2 1 ATOM 1424 N N . VAL A 1 177 ? 51.040 20.728 4.140 1.00 9.13 ? 177 VAL A N 1 ATOM 1425 C CA . VAL A 1 177 ? 51.161 22.050 4.790 1.00 10.46 ? 177 VAL A CA 1 ATOM 1426 C C . VAL A 1 177 ? 49.825 22.258 5.523 1.00 11.81 ? 177 VAL A C 1 ATOM 1427 O O . VAL A 1 177 ? 48.754 22.281 4.864 1.00 11.66 ? 177 VAL A O 1 ATOM 1428 C CB . VAL A 1 177 ? 51.343 23.075 3.699 1.00 11.22 ? 177 VAL A CB 1 ATOM 1429 C CG1 . VAL A 1 177 ? 51.302 24.493 4.275 1.00 14.07 ? 177 VAL A CG1 1 ATOM 1430 C CG2 . VAL A 1 177 ? 52.640 22.856 2.971 1.00 12.99 ? 177 VAL A CG2 1 ATOM 1431 N N . ASN A 1 178 ? 49.842 22.406 6.865 1.00 10.73 ? 178 ASN A N 1 ATOM 1432 C CA . ASN A 1 178 ? 48.554 22.369 7.575 1.00 10.35 ? 178 ASN A CA 1 ATOM 1433 C C . ASN A 1 178 ? 47.598 23.471 7.129 1.00 11.89 ? 178 ASN A C 1 ATOM 1434 O O . ASN A 1 178 ? 46.370 23.234 7.073 1.00 13.86 ? 178 ASN A O 1 ATOM 1435 C CB . ASN A 1 178 ? 48.696 22.467 9.088 1.00 12.06 ? 178 ASN A CB 1 ATOM 1436 C CG . ASN A 1 178 ? 47.362 22.244 9.777 1.00 12.55 ? 178 ASN A CG 1 ATOM 1437 O OD1 . ASN A 1 178 ? 46.763 21.176 9.604 1.00 12.88 ? 178 ASN A OD1 1 ATOM 1438 N ND2 . ASN A 1 178 ? 46.872 23.273 10.512 1.00 15.11 ? 178 ASN A ND2 1 ATOM 1439 N N A SER A 1 179 ? 48.102 24.674 6.863 0.50 13.74 ? 179 SER A N 1 ATOM 1440 N N B SER A 1 179 ? 48.178 24.659 6.863 0.50 12.05 ? 179 SER A N 1 ATOM 1441 C CA A SER A 1 179 ? 47.201 25.745 6.456 0.50 13.94 ? 179 SER A CA 1 ATOM 1442 C CA B SER A 1 179 ? 47.461 25.861 6.415 0.50 13.72 ? 179 SER A CA 1 ATOM 1443 C C A SER A 1 179 ? 46.758 25.655 4.990 0.50 12.00 ? 179 SER A C 1 ATOM 1444 C C B SER A 1 179 ? 47.040 25.867 4.950 0.50 9.97 ? 179 SER A C 1 ATOM 1445 O O A SER A 1 179 ? 45.744 26.293 4.605 0.50 14.21 ? 179 SER A O 1 ATOM 1446 O O B SER A 1 179 ? 46.333 26.789 4.509 0.50 11.74 ? 179 SER A O 1 ATOM 1447 C CB A SER A 1 179 ? 47.861 27.094 6.684 0.50 17.08 ? 179 SER A CB 1 ATOM 1448 C CB B SER A 1 179 ? 48.342 27.099 6.596 0.50 15.60 ? 179 SER A CB 1 ATOM 1449 O OG A SER A 1 179 ? 49.066 27.165 5.942 0.50 20.12 ? 179 SER A OG 1 ATOM 1450 O OG B SER A 1 179 ? 48.526 27.428 7.952 0.50 20.39 ? 179 SER A OG 1 ATOM 1451 N N . THR A 1 180 ? 47.500 24.879 4.185 1.00 13.91 ? 180 THR A N 1 ATOM 1452 C CA . THR A 1 180 ? 47.263 24.836 2.743 1.00 11.48 ? 180 THR A CA 1 ATOM 1453 C C . THR A 1 180 ? 47.287 23.364 2.330 1.00 13.92 ? 180 THR A C 1 ATOM 1454 O O . THR A 1 180 ? 48.280 22.885 1.776 1.00 11.24 ? 180 THR A O 1 ATOM 1455 C CB . THR A 1 180 ? 48.318 25.666 1.978 1.00 14.99 ? 180 THR A CB 1 ATOM 1456 O OG1 . THR A 1 180 ? 48.374 26.986 2.563 1.00 18.53 ? 180 THR A OG1 1 ATOM 1457 C CG2 . THR A 1 180 ? 47.902 25.769 0.487 1.00 16.91 ? 180 THR A CG2 1 ATOM 1458 N N . ARG A 1 181 ? 46.191 22.668 2.584 1.00 12.50 ? 181 ARG A N 1 ATOM 1459 C CA . ARG A 1 181 ? 46.228 21.202 2.617 1.00 9.71 ? 181 ARG A CA 1 ATOM 1460 C C . ARG A 1 181 ? 46.208 20.547 1.233 1.00 10.52 ? 181 ARG A C 1 ATOM 1461 O O . ARG A 1 181 ? 46.201 19.326 1.124 1.00 12.29 ? 181 ARG A O 1 ATOM 1462 C CB . ARG A 1 181 ? 45.084 20.683 3.515 1.00 11.83 ? 181 ARG A CB 1 ATOM 1463 C CG . ARG A 1 181 ? 45.441 20.900 5.019 1.00 12.92 ? 181 ARG A CG 1 ATOM 1464 C CD . ARG A 1 181 ? 44.227 20.723 5.904 1.00 15.81 ? 181 ARG A CD 1 ATOM 1465 N NE . ARG A 1 181 ? 44.603 20.652 7.320 1.00 12.07 ? 181 ARG A NE 1 ATOM 1466 C CZ . ARG A 1 181 ? 43.876 20.040 8.247 1.00 14.43 ? 181 ARG A CZ 1 ATOM 1467 N NH1 . ARG A 1 181 ? 44.336 19.989 9.505 1.00 15.83 ? 181 ARG A NH1 1 ATOM 1468 N NH2 . ARG A 1 181 ? 42.725 19.440 7.916 1.00 15.97 ? 181 ARG A NH2 1 ATOM 1469 N N . GLY A 1 182 ? 46.183 21.361 0.183 1.00 10.58 ? 182 GLY A N 1 ATOM 1470 C CA . GLY A 1 182 ? 46.420 20.929 -1.182 1.00 10.88 ? 182 GLY A CA 1 ATOM 1471 C C . GLY A 1 182 ? 47.889 20.709 -1.534 1.00 10.60 ? 182 GLY A C 1 ATOM 1472 O O . GLY A 1 182 ? 48.179 20.264 -2.676 1.00 13.08 ? 182 GLY A O 1 ATOM 1473 N N . LEU A 1 183 ? 48.799 21.015 -0.603 1.00 10.27 ? 183 LEU A N 1 ATOM 1474 C CA . LEU A 1 183 ? 50.245 21.002 -0.878 1.00 10.12 ? 183 LEU A CA 1 ATOM 1475 C C . LEU A 1 183 ? 50.921 19.944 -0.031 1.00 9.10 ? 183 LEU A C 1 ATOM 1476 O O . LEU A 1 183 ? 50.602 19.803 1.171 1.00 10.31 ? 183 LEU A O 1 ATOM 1477 C CB . LEU A 1 183 ? 50.867 22.363 -0.504 1.00 12.76 ? 183 LEU A CB 1 ATOM 1478 C CG . LEU A 1 183 ? 50.331 23.540 -1.318 1.00 12.71 ? 183 LEU A CG 1 ATOM 1479 C CD1 . LEU A 1 183 ? 51.026 24.845 -0.854 1.00 12.74 ? 183 LEU A CD1 1 ATOM 1480 C CD2 . LEU A 1 183 ? 50.500 23.305 -2.858 1.00 16.65 ? 183 LEU A CD2 1 ATOM 1481 N N . CYS A 1 184 ? 51.865 19.221 -0.653 1.00 9.26 ? 184 CYS A N 1 ATOM 1482 C CA . CYS A 1 184 ? 52.453 18.035 -0.051 1.00 9.67 ? 184 CYS A CA 1 ATOM 1483 C C . CYS A 1 184 ? 53.972 18.130 -0.034 1.00 10.11 ? 184 CYS A C 1 ATOM 1484 O O . CYS A 1 184 ? 54.561 18.636 -1.003 1.00 8.61 ? 184 CYS A O 1 ATOM 1485 C CB . CYS A 1 184 ? 52.107 16.810 -0.941 1.00 10.35 ? 184 CYS A CB 1 ATOM 1486 S SG . CYS A 1 184 ? 50.531 16.074 -0.563 1.00 12.01 ? 184 CYS A SG 1 ATOM 1487 N N . VAL A 1 185 ? 54.606 17.590 1.019 1.00 8.29 ? 185 VAL A N 1 ATOM 1488 C CA . VAL A 1 185 ? 56.056 17.432 1.047 1.00 7.90 ? 185 VAL A CA 1 ATOM 1489 C C . VAL A 1 185 ? 56.372 16.396 -0.043 1.00 7.89 ? 185 VAL A C 1 ATOM 1490 O O . VAL A 1 185 ? 55.781 15.279 -0.071 1.00 9.83 ? 185 VAL A O 1 ATOM 1491 C CB . VAL A 1 185 ? 56.531 16.913 2.405 1.00 8.40 ? 185 VAL A CB 1 ATOM 1492 C CG1 . VAL A 1 185 ? 58.017 16.623 2.378 1.00 10.52 ? 185 VAL A CG1 1 ATOM 1493 C CG2 . VAL A 1 185 ? 56.239 17.953 3.510 1.00 10.77 ? 185 VAL A CG2 1 ATOM 1494 N N . THR A 1 186 ? 57.270 16.774 -0.961 1.00 8.24 ? 186 THR A N 1 ATOM 1495 C CA . THR A 1 186 ? 57.501 16.003 -2.194 1.00 8.41 ? 186 THR A CA 1 ATOM 1496 C C . THR A 1 186 ? 58.990 15.901 -2.439 1.00 10.60 ? 186 THR A C 1 ATOM 1497 O O . THR A 1 186 ? 59.674 16.916 -2.422 1.00 10.55 ? 186 THR A O 1 ATOM 1498 C CB . THR A 1 186 ? 56.894 16.757 -3.398 1.00 7.87 ? 186 THR A CB 1 ATOM 1499 O OG1 . THR A 1 186 ? 55.501 16.949 -3.132 1.00 9.76 ? 186 THR A OG1 1 ATOM 1500 C CG2 . THR A 1 186 ? 57.054 15.970 -4.668 1.00 9.14 ? 186 THR A CG2 1 ATOM 1501 N N . THR A 1 187 ? 59.504 14.693 -2.700 1.00 9.58 ? 187 THR A N 1 ATOM 1502 C CA . THR A 1 187 ? 60.906 14.610 -3.143 1.00 9.91 ? 187 THR A CA 1 ATOM 1503 C C . THR A 1 187 ? 60.948 14.943 -4.641 1.00 12.83 ? 187 THR A C 1 ATOM 1504 O O . THR A 1 187 ? 60.101 14.453 -5.429 1.00 14.36 ? 187 THR A O 1 ATOM 1505 C CB . THR A 1 187 ? 61.580 13.295 -2.744 1.00 13.70 ? 187 THR A CB 1 ATOM 1506 O OG1 . THR A 1 187 ? 62.945 13.306 -3.193 1.00 14.15 ? 187 THR A OG1 1 ATOM 1507 C CG2 . THR A 1 187 ? 60.866 12.126 -3.271 1.00 14.88 ? 187 THR A CG2 1 ATOM 1508 N N . ASN A 1 188 ? 61.945 15.747 -5.052 1.00 12.16 ? 188 ASN A N 1 ATOM 1509 C CA . ASN A 1 188 ? 62.006 16.169 -6.445 1.00 11.66 ? 188 ASN A CA 1 ATOM 1510 C C . ASN A 1 188 ? 62.897 15.204 -7.158 1.00 15.47 ? 188 ASN A C 1 ATOM 1511 O O . ASN A 1 188 ? 64.047 15.557 -7.549 1.00 22.09 ? 188 ASN A O 1 ATOM 1512 C CB . ASN A 1 188 ? 62.609 17.575 -6.532 1.00 16.16 ? 188 ASN A CB 1 ATOM 1513 C CG . ASN A 1 188 ? 62.285 18.253 -7.835 1.00 30.38 ? 188 ASN A CG 1 ATOM 1514 O OD1 . ASN A 1 188 ? 61.626 17.676 -8.706 1.00 35.15 ? 188 ASN A OD1 1 ATOM 1515 N ND2 . ASN A 1 188 ? 62.714 19.483 -7.965 1.00 38.54 ? 188 ASN A ND2 1 ATOM 1516 N N . GLY A 1 189 ? 62.435 13.969 -7.230 1.00 18.21 ? 189 GLY A N 1 ATOM 1517 C CA . GLY A 1 189 ? 63.203 12.844 -7.776 1.00 16.19 ? 189 GLY A CA 1 ATOM 1518 C C . GLY A 1 189 ? 63.411 11.717 -6.766 1.00 13.59 ? 189 GLY A C 1 ATOM 1519 O O . GLY A 1 189 ? 63.172 11.899 -5.560 1.00 17.74 ? 189 GLY A O 1 ATOM 1520 N N . TYR A 1 190 ? 63.829 10.551 -7.239 1.00 14.62 ? 190 TYR A N 1 ATOM 1521 C CA . TYR A 1 190 ? 63.998 9.403 -6.383 1.00 17.25 ? 190 TYR A CA 1 ATOM 1522 C C . TYR A 1 190 ? 65.459 9.055 -6.129 1.00 14.60 ? 190 TYR A C 1 ATOM 1523 O O . TYR A 1 190 ? 65.747 7.982 -5.581 1.00 16.83 ? 190 TYR A O 1 ATOM 1524 C CB . TYR A 1 190 ? 63.247 8.218 -6.947 1.00 15.36 ? 190 TYR A CB 1 ATOM 1525 C CG . TYR A 1 190 ? 61.785 8.483 -7.122 1.00 17.09 ? 190 TYR A CG 1 ATOM 1526 C CD1 . TYR A 1 190 ? 61.244 8.641 -8.399 1.00 18.53 ? 190 TYR A CD1 1 ATOM 1527 C CD2 . TYR A 1 190 ? 60.933 8.631 -6.027 1.00 15.05 ? 190 TYR A CD2 1 ATOM 1528 C CE1 . TYR A 1 190 ? 59.885 8.943 -8.573 1.00 18.30 ? 190 TYR A CE1 1 ATOM 1529 C CE2 . TYR A 1 190 ? 59.576 8.924 -6.215 1.00 15.34 ? 190 TYR A CE2 1 ATOM 1530 C CZ . TYR A 1 190 ? 59.058 9.052 -7.456 1.00 16.47 ? 190 TYR A CZ 1 ATOM 1531 O OH . TYR A 1 190 ? 57.698 9.339 -7.601 1.00 18.17 ? 190 TYR A OH 1 ATOM 1532 N N . ASN A 1 191 ? 66.371 9.965 -6.474 1.00 15.66 ? 191 ASN A N 1 ATOM 1533 C CA . ASN A 1 191 ? 67.816 9.677 -6.342 1.00 15.75 ? 191 ASN A CA 1 ATOM 1534 C C . ASN A 1 191 ? 68.413 10.316 -5.091 1.00 12.19 ? 191 ASN A C 1 ATOM 1535 O O . ASN A 1 191 ? 67.886 11.322 -4.586 1.00 14.19 ? 191 ASN A O 1 ATOM 1536 C CB . ASN A 1 191 ? 68.582 10.197 -7.569 1.00 19.00 ? 191 ASN A CB 1 ATOM 1537 C CG . ASN A 1 191 ? 68.138 9.543 -8.831 1.00 24.42 ? 191 ASN A CG 1 ATOM 1538 O OD1 . ASN A 1 191 ? 68.017 8.334 -8.889 1.00 28.20 ? 191 ASN A OD1 1 ATOM 1539 N ND2 . ASN A 1 191 ? 67.838 10.342 -9.831 1.00 26.55 ? 191 ASN A ND2 1 ATOM 1540 N N . SER A 1 192 ? 69.482 9.717 -4.573 1.00 13.47 ? 192 SER A N 1 ATOM 1541 C CA . SER A 1 192 ? 70.201 10.312 -3.437 1.00 13.36 ? 192 SER A CA 1 ATOM 1542 C C . SER A 1 192 ? 70.530 11.799 -3.746 1.00 13.68 ? 192 SER A C 1 ATOM 1543 O O . SER A 1 192 ? 70.995 12.137 -4.877 1.00 15.77 ? 192 SER A O 1 ATOM 1544 C CB . SER A 1 192 ? 71.457 9.501 -3.135 1.00 19.52 ? 192 SER A CB 1 ATOM 1545 O OG . SER A 1 192 ? 72.011 9.974 -1.929 1.00 22.48 ? 192 SER A OG 1 ATOM 1546 N N . LYS A 1 193 ? 70.268 12.661 -2.742 1.00 12.85 ? 193 LYS A N 1 ATOM 1547 C CA . LYS A 1 193 ? 70.531 14.129 -2.776 1.00 13.58 ? 193 LYS A CA 1 ATOM 1548 C C . LYS A 1 193 ? 69.458 14.914 -3.551 1.00 14.57 ? 193 LYS A C 1 ATOM 1549 O O . LYS A 1 193 ? 69.562 16.159 -3.647 1.00 16.17 ? 193 LYS A O 1 ATOM 1550 C CB . LYS A 1 193 ? 71.941 14.518 -3.311 1.00 15.64 ? 193 LYS A CB 1 ATOM 1551 C CG . LYS A 1 193 ? 73.098 14.092 -2.467 1.00 23.69 ? 193 LYS A CG 1 ATOM 1552 C CD . LYS A 1 193 ? 74.466 14.435 -3.196 1.00 24.06 ? 193 LYS A CD 1 ATOM 1553 C CE . LYS A 1 193 ? 74.695 15.900 -3.482 1.00 34.38 ? 193 LYS A CE 1 ATOM 1554 N NZ . LYS A 1 193 ? 75.886 16.053 -4.437 1.00 33.78 ? 193 LYS A NZ 1 ATOM 1555 N N . ASP A 1 194 ? 68.424 14.243 -4.074 1.00 12.80 ? 194 ASP A N 1 ATOM 1556 C CA . ASP A 1 194 ? 67.308 15.037 -4.622 1.00 12.98 ? 194 ASP A CA 1 ATOM 1557 C C . ASP A 1 194 ? 66.677 15.832 -3.460 1.00 11.19 ? 194 ASP A C 1 ATOM 1558 O O . ASP A 1 194 ? 66.613 15.362 -2.287 1.00 11.73 ? 194 ASP A O 1 ATOM 1559 C CB . ASP A 1 194 ? 66.296 14.172 -5.351 1.00 14.42 ? 194 ASP A CB 1 ATOM 1560 C CG . ASP A 1 194 ? 66.824 13.672 -6.694 1.00 15.12 ? 194 ASP A CG 1 ATOM 1561 O OD1 . ASP A 1 194 ? 67.788 14.279 -7.242 1.00 18.37 ? 194 ASP A OD1 1 ATOM 1562 O OD2 . ASP A 1 194 ? 66.261 12.667 -7.196 1.00 16.35 ? 194 ASP A OD2 1 ATOM 1563 N N A LEU A 1 195 ? 66.189 17.011 -3.810 0.50 12.06 ? 195 LEU A N 1 ATOM 1564 N N B LEU A 1 195 ? 66.268 17.047 -3.776 0.50 11.26 ? 195 LEU A N 1 ATOM 1565 C CA A LEU A 1 195 ? 65.714 18.009 -2.853 0.50 12.11 ? 195 LEU A CA 1 ATOM 1566 C CA B LEU A 1 195 ? 65.758 17.973 -2.771 0.50 9.06 ? 195 LEU A CA 1 ATOM 1567 C C A LEU A 1 195 ? 64.252 17.818 -2.508 0.50 10.49 ? 195 LEU A C 1 ATOM 1568 C C B LEU A 1 195 ? 64.318 17.658 -2.446 0.50 11.75 ? 195 LEU A C 1 ATOM 1569 O O A LEU A 1 195 ? 63.436 17.533 -3.407 0.50 7.19 ? 195 LEU A O 1 ATOM 1570 O O B LEU A 1 195 ? 63.591 17.100 -3.278 0.50 15.09 ? 195 LEU A O 1 ATOM 1571 C CB A LEU A 1 195 ? 65.847 19.400 -3.495 0.50 14.97 ? 195 LEU A CB 1 ATOM 1572 C CB B LEU A 1 195 ? 65.850 19.421 -3.306 0.50 12.19 ? 195 LEU A CB 1 ATOM 1573 C CG A LEU A 1 195 ? 65.759 20.609 -2.573 0.50 15.78 ? 195 LEU A CG 1 ATOM 1574 C CG B LEU A 1 195 ? 67.275 19.984 -3.375 0.50 11.75 ? 195 LEU A CG 1 ATOM 1575 C CD1 A LEU A 1 195 ? 66.949 20.663 -1.598 0.50 15.59 ? 195 LEU A CD1 1 ATOM 1576 C CD1 B LEU A 1 195 ? 67.309 21.263 -4.251 0.50 10.38 ? 195 LEU A CD1 1 ATOM 1577 C CD2 A LEU A 1 195 ? 65.645 21.879 -3.422 0.50 18.65 ? 195 LEU A CD2 1 ATOM 1578 C CD2 B LEU A 1 195 ? 67.803 20.238 -1.950 0.50 12.05 ? 195 LEU A CD2 1 ATOM 1579 N N . ILE A 1 196 ? 63.926 18.013 -1.220 1.00 9.99 ? 196 ILE A N 1 ATOM 1580 C CA . ILE A 1 196 ? 62.555 17.887 -0.769 1.00 9.21 ? 196 ILE A CA 1 ATOM 1581 C C . ILE A 1 196 ? 61.937 19.280 -0.798 1.00 10.14 ? 196 ILE A C 1 ATOM 1582 O O . ILE A 1 196 ? 62.482 20.252 -0.240 1.00 9.99 ? 196 ILE A O 1 ATOM 1583 C CB . ILE A 1 196 ? 62.499 17.260 0.616 1.00 10.93 ? 196 ILE A CB 1 ATOM 1584 C CG1 . ILE A 1 196 ? 63.100 15.818 0.512 1.00 11.28 ? 196 ILE A CG1 1 ATOM 1585 C CG2 . ILE A 1 196 ? 61.031 17.178 1.096 1.00 10.52 ? 196 ILE A CG2 1 ATOM 1586 C CD1 . ILE A 1 196 ? 63.130 15.012 1.808 1.00 14.42 ? 196 ILE A CD1 1 ATOM 1587 N N . ILE A 1 197 ? 60.781 19.360 -1.453 1.00 8.35 ? 197 ILE A N 1 ATOM 1588 C CA . ILE A 1 197 ? 60.104 20.621 -1.721 1.00 7.98 ? 197 ILE A CA 1 ATOM 1589 C C . ILE A 1 197 ? 58.619 20.475 -1.390 1.00 9.80 ? 197 ILE A C 1 ATOM 1590 O O . ILE A 1 197 ? 58.159 19.405 -0.930 1.00 11.94 ? 197 ILE A O 1 ATOM 1591 C CB . ILE A 1 197 ? 60.247 21.016 -3.240 1.00 9.81 ? 197 ILE A CB 1 ATOM 1592 C CG1 . ILE A 1 197 ? 59.596 19.950 -4.156 1.00 12.76 ? 197 ILE A CG1 1 ATOM 1593 C CG2 . ILE A 1 197 ? 61.714 21.242 -3.586 1.00 11.50 ? 197 ILE A CG2 1 ATOM 1594 C CD1 . ILE A 1 197 ? 59.465 20.460 -5.619 1.00 18.00 ? 197 ILE A CD1 1 ATOM 1595 N N . ILE A 1 198 ? 57.867 21.535 -1.595 1.00 10.58 ? 198 ILE A N 1 ATOM 1596 C CA . ILE A 1 198 ? 56.409 21.486 -1.450 1.00 10.56 ? 198 ILE A CA 1 ATOM 1597 C C . ILE A 1 198 ? 55.860 21.582 -2.893 1.00 10.65 ? 198 ILE A C 1 ATOM 1598 O O . ILE A 1 198 ? 56.239 22.487 -3.700 1.00 12.40 ? 198 ILE A O 1 ATOM 1599 C CB . ILE A 1 198 ? 55.911 22.661 -0.594 1.00 12.40 ? 198 ILE A CB 1 ATOM 1600 C CG1 . ILE A 1 198 ? 56.343 22.505 0.894 1.00 14.22 ? 198 ILE A CG1 1 ATOM 1601 C CG2 . ILE A 1 198 ? 54.430 22.758 -0.656 1.00 13.05 ? 198 ILE A CG2 1 ATOM 1602 C CD1 . ILE A 1 198 ? 55.880 21.185 1.541 1.00 12.08 ? 198 ILE A CD1 1 ATOM 1603 N N . LEU A 1 199 ? 55.014 20.642 -3.242 1.00 11.41 ? 199 LEU A N 1 ATOM 1604 C CA . LEU A 1 199 ? 54.345 20.611 -4.565 1.00 10.39 ? 199 LEU A CA 1 ATOM 1605 C C . LEU A 1 199 ? 52.859 20.249 -4.359 1.00 11.39 ? 199 LEU A C 1 ATOM 1606 O O . LEU A 1 199 ? 52.484 19.558 -3.376 1.00 11.93 ? 199 LEU A O 1 ATOM 1607 C CB . LEU A 1 199 ? 54.986 19.511 -5.427 1.00 12.04 ? 199 LEU A CB 1 ATOM 1608 C CG . LEU A 1 199 ? 54.870 19.581 -6.919 1.00 19.06 ? 199 LEU A CG 1 ATOM 1609 C CD1 . LEU A 1 199 ? 55.679 20.844 -7.481 1.00 19.69 ? 199 LEU A CD1 1 ATOM 1610 C CD2 . LEU A 1 199 ? 55.296 18.263 -7.550 1.00 21.92 ? 199 LEU A CD2 1 ATOM 1611 N N . LYS A 1 200 ? 52.008 20.684 -5.297 1.00 13.09 ? 200 LYS A N 1 ATOM 1612 C CA . LYS A 1 200 ? 50.597 20.283 -5.261 1.00 11.41 ? 200 LYS A CA 1 ATOM 1613 C C . LYS A 1 200 ? 50.510 18.768 -5.082 1.00 13.42 ? 200 LYS A C 1 ATOM 1614 O O . LYS A 1 200 ? 51.184 18.013 -5.789 1.00 13.11 ? 200 LYS A O 1 ATOM 1615 C CB . LYS A 1 200 ? 49.901 20.685 -6.584 1.00 15.28 ? 200 LYS A CB 1 ATOM 1616 C CG . LYS A 1 200 ? 48.471 20.288 -6.669 1.00 22.42 ? 200 LYS A CG 1 ATOM 1617 C CD . LYS A 1 200 ? 47.788 20.874 -7.953 1.00 27.46 ? 200 LYS A CD 1 ATOM 1618 C CE . LYS A 1 200 ? 47.507 19.788 -8.966 1.00 42.16 ? 200 LYS A CE 1 ATOM 1619 N NZ . LYS A 1 200 ? 48.696 19.524 -9.844 1.00 50.98 ? 200 LYS A NZ 1 ATOM 1620 N N . CYS A 1 201 ? 49.663 18.336 -4.143 1.00 11.88 ? 201 CYS A N 1 ATOM 1621 C CA . CYS A 1 201 ? 49.421 16.914 -3.938 1.00 11.54 ? 201 CYS A CA 1 ATOM 1622 C C . CYS A 1 201 ? 48.834 16.316 -5.229 1.00 10.03 ? 201 CYS A C 1 ATOM 1623 O O . CYS A 1 201 ? 47.824 16.809 -5.763 1.00 15.16 ? 201 CYS A O 1 ATOM 1624 C CB . CYS A 1 201 ? 48.520 16.710 -2.754 1.00 13.34 ? 201 CYS A CB 1 ATOM 1625 S SG . CYS A 1 201 ? 49.079 17.403 -1.208 1.00 12.83 ? 201 CYS A SG 1 ATOM 1626 N N . GLN A 1 202 ? 49.465 15.260 -5.719 1.00 12.35 ? 202 GLN A N 1 ATOM 1627 C CA . GLN A 1 202 ? 49.058 14.609 -6.970 1.00 12.01 ? 202 GLN A CA 1 ATOM 1628 C C . GLN A 1 202 ? 49.023 13.090 -6.840 1.00 8.83 ? 202 GLN A C 1 ATOM 1629 O O . GLN A 1 202 ? 48.915 12.363 -7.857 1.00 13.11 ? 202 GLN A O 1 ATOM 1630 C CB . GLN A 1 202 ? 50.020 15.016 -8.102 1.00 13.85 ? 202 GLN A CB 1 ATOM 1631 C CG . GLN A 1 202 ? 49.889 16.466 -8.437 1.00 18.15 ? 202 GLN A CG 1 ATOM 1632 C CD . GLN A 1 202 ? 51.116 16.988 -9.258 1.00 28.36 ? 202 GLN A CD 1 ATOM 1633 O OE1 . GLN A 1 202 ? 51.319 16.537 -10.404 1.00 28.41 ? 202 GLN A OE1 1 ATOM 1634 N NE2 . GLN A 1 202 ? 51.955 17.900 -8.655 1.00 21.33 ? 202 GLN A NE2 1 ATOM 1635 N N . GLY A 1 203 ? 49.108 12.586 -5.581 1.00 9.91 ? 203 GLY A N 1 ATOM 1636 C CA . GLY A 1 203 ? 48.994 11.164 -5.320 1.00 11.35 ? 203 GLY A CA 1 ATOM 1637 C C . GLY A 1 203 ? 50.277 10.387 -5.614 1.00 8.85 ? 203 GLY A C 1 ATOM 1638 O O . GLY A 1 203 ? 50.235 9.151 -5.692 1.00 11.86 ? 203 GLY A O 1 ATOM 1639 N N . LEU A 1 204 ? 51.389 11.078 -5.865 1.00 9.47 ? 204 LEU A N 1 ATOM 1640 C CA . LEU A 1 204 ? 52.574 10.438 -6.460 1.00 9.52 ? 204 LEU A CA 1 ATOM 1641 C C . LEU A 1 204 ? 53.409 9.678 -5.433 1.00 9.33 ? 204 LEU A C 1 ATOM 1642 O O . LEU A 1 204 ? 53.357 9.977 -4.230 1.00 10.30 ? 204 LEU A O 1 ATOM 1643 C CB . LEU A 1 204 ? 53.469 11.514 -7.071 1.00 11.33 ? 204 LEU A CB 1 ATOM 1644 C CG . LEU A 1 204 ? 52.795 12.399 -8.157 1.00 14.54 ? 204 LEU A CG 1 ATOM 1645 C CD1 . LEU A 1 204 ? 53.727 13.535 -8.585 1.00 18.33 ? 204 LEU A CD1 1 ATOM 1646 C CD2 . LEU A 1 204 ? 52.366 11.563 -9.377 1.00 18.60 ? 204 LEU A CD2 1 ATOM 1647 N N . PRO A 1 205 ? 54.225 8.732 -5.914 1.00 8.47 ? 205 PRO A N 1 ATOM 1648 C CA . PRO A 1 205 ? 55.158 8.063 -4.998 1.00 10.07 ? 205 PRO A CA 1 ATOM 1649 C C . PRO A 1 205 ? 56.124 9.036 -4.329 1.00 8.68 ? 205 PRO A C 1 ATOM 1650 O O . PRO A 1 205 ? 56.660 8.739 -3.243 1.00 10.54 ? 205 PRO A O 1 ATOM 1651 C CB . PRO A 1 205 ? 55.899 7.062 -5.910 1.00 10.49 ? 205 PRO A CB 1 ATOM 1652 C CG . PRO A 1 205 ? 54.901 6.801 -7.084 1.00 9.80 ? 205 PRO A CG 1 ATOM 1653 C CD . PRO A 1 205 ? 54.236 8.157 -7.289 1.00 10.47 ? 205 PRO A CD 1 ATOM 1654 N N . SER A 1 206 ? 56.402 10.160 -4.981 1.00 10.04 ? 206 SER A N 1 ATOM 1655 C CA . SER A 1 206 ? 57.315 11.162 -4.431 1.00 9.86 ? 206 SER A CA 1 ATOM 1656 C C . SER A 1 206 ? 56.704 11.923 -3.258 1.00 8.86 ? 206 SER A C 1 ATOM 1657 O O . SER A 1 206 ? 57.379 12.746 -2.637 1.00 9.94 ? 206 SER A O 1 ATOM 1658 C CB . SER A 1 206 ? 57.688 12.141 -5.543 1.00 11.95 ? 206 SER A CB 1 ATOM 1659 O OG . SER A 1 206 ? 56.507 12.700 -6.073 1.00 12.53 ? 206 SER A OG 1 ATOM 1660 N N . GLN A 1 207 ? 55.428 11.672 -2.995 1.00 8.36 ? 207 GLN A N 1 ATOM 1661 C CA . GLN A 1 207 ? 54.681 12.404 -1.953 1.00 9.02 ? 207 GLN A CA 1 ATOM 1662 C C . GLN A 1 207 ? 54.263 11.481 -0.811 1.00 9.30 ? 207 GLN A C 1 ATOM 1663 O O . GLN A 1 207 ? 53.507 11.904 0.091 1.00 9.79 ? 207 GLN A O 1 ATOM 1664 C CB . GLN A 1 207 ? 53.458 13.091 -2.595 1.00 9.48 ? 207 GLN A CB 1 ATOM 1665 C CG . GLN A 1 207 ? 53.952 14.099 -3.665 1.00 10.44 ? 207 GLN A CG 1 ATOM 1666 C CD . GLN A 1 207 ? 52.869 14.769 -4.430 1.00 9.39 ? 207 GLN A CD 1 ATOM 1667 O OE1 . GLN A 1 207 ? 51.896 14.139 -4.848 1.00 10.91 ? 207 GLN A OE1 1 ATOM 1668 N NE2 . GLN A 1 207 ? 53.005 16.086 -4.582 1.00 11.59 ? 207 GLN A NE2 1 ATOM 1669 N N . ARG A 1 208 ? 54.727 10.225 -0.853 1.00 9.44 ? 208 ARG A N 1 ATOM 1670 C CA . ARG A 1 208 ? 54.401 9.268 0.203 1.00 8.45 ? 208 ARG A CA 1 ATOM 1671 C C . ARG A 1 208 ? 55.563 9.082 1.194 1.00 8.79 ? 208 ARG A C 1 ATOM 1672 O O . ARG A 1 208 ? 56.727 9.001 0.781 1.00 8.86 ? 208 ARG A O 1 ATOM 1673 C CB . ARG A 1 208 ? 54.055 7.940 -0.434 1.00 10.18 ? 208 ARG A CB 1 ATOM 1674 C CG . ARG A 1 208 ? 53.771 6.879 0.556 1.00 13.40 ? 208 ARG A CG 1 ATOM 1675 C CD . ARG A 1 208 ? 52.614 6.089 0.132 1.00 14.22 ? 208 ARG A CD 1 ATOM 1676 N NE . ARG A 1 208 ? 52.523 4.914 1.015 1.00 11.48 ? 208 ARG A NE 1 ATOM 1677 C CZ . ARG A 1 208 ? 52.154 3.721 0.594 1.00 12.07 ? 208 ARG A CZ 1 ATOM 1678 N NH1 . ARG A 1 208 ? 51.806 3.549 -0.685 1.00 12.03 ? 208 ARG A NH1 1 ATOM 1679 N NH2 . ARG A 1 208 ? 52.147 2.702 1.452 1.00 13.90 ? 208 ARG A NH2 1 ATOM 1680 N N . TRP A 1 209 ? 55.245 9.073 2.497 1.00 7.48 ? 209 TRP A N 1 ATOM 1681 C CA . TRP A 1 209 ? 56.253 9.018 3.566 1.00 7.15 ? 209 TRP A CA 1 ATOM 1682 C C . TRP A 1 209 ? 55.819 8.039 4.641 1.00 6.48 ? 209 TRP A C 1 ATOM 1683 O O . TRP A 1 209 ? 54.625 7.802 4.845 1.00 8.59 ? 209 TRP A O 1 ATOM 1684 C CB . TRP A 1 209 ? 56.471 10.399 4.203 1.00 10.09 ? 209 TRP A CB 1 ATOM 1685 C CG . TRP A 1 209 ? 56.892 11.398 3.139 1.00 7.26 ? 209 TRP A CG 1 ATOM 1686 C CD1 . TRP A 1 209 ? 56.079 12.255 2.416 1.00 9.07 ? 209 TRP A CD1 1 ATOM 1687 C CD2 . TRP A 1 209 ? 58.214 11.573 2.618 1.00 10.00 ? 209 TRP A CD2 1 ATOM 1688 N NE1 . TRP A 1 209 ? 56.843 12.980 1.505 1.00 10.10 ? 209 TRP A NE1 1 ATOM 1689 C CE2 . TRP A 1 209 ? 58.149 12.562 1.605 1.00 9.67 ? 209 TRP A CE2 1 ATOM 1690 C CE3 . TRP A 1 209 ? 59.451 10.998 2.926 1.00 9.09 ? 209 TRP A CE3 1 ATOM 1691 C CZ2 . TRP A 1 209 ? 59.278 12.987 0.909 1.00 8.01 ? 209 TRP A CZ2 1 ATOM 1692 C CZ3 . TRP A 1 209 ? 60.577 11.399 2.216 1.00 8.61 ? 209 TRP A CZ3 1 ATOM 1693 C CH2 . TRP A 1 209 ? 60.484 12.407 1.221 1.00 9.46 ? 209 TRP A CH2 1 ATOM 1694 N N . PHE A 1 210 ? 56.799 7.489 5.331 1.00 8.78 ? 210 PHE A N 1 ATOM 1695 C CA . PHE A 1 210 ? 56.550 6.458 6.344 1.00 12.23 ? 210 PHE A CA 1 ATOM 1696 C C . PHE A 1 210 ? 57.426 6.825 7.547 1.00 10.38 ? 210 PHE A C 1 ATOM 1697 O O . PHE A 1 210 ? 58.647 6.976 7.363 1.00 11.07 ? 210 PHE A O 1 ATOM 1698 C CB . PHE A 1 210 ? 56.947 5.061 5.778 1.00 12.71 ? 210 PHE A CB 1 ATOM 1699 C CG . PHE A 1 210 ? 57.001 3.988 6.840 1.00 16.28 ? 210 PHE A CG 1 ATOM 1700 C CD1 . PHE A 1 210 ? 55.977 3.900 7.813 1.00 17.46 ? 210 PHE A CD1 1 ATOM 1701 C CD2 . PHE A 1 210 ? 58.045 3.085 6.864 1.00 22.14 ? 210 PHE A CD2 1 ATOM 1702 C CE1 . PHE A 1 210 ? 56.026 2.917 8.822 1.00 20.74 ? 210 PHE A CE1 1 ATOM 1703 C CE2 . PHE A 1 210 ? 58.098 2.086 7.866 1.00 23.95 ? 210 PHE A CE2 1 ATOM 1704 C CZ . PHE A 1 210 ? 57.085 2.033 8.834 1.00 24.57 ? 210 PHE A CZ 1 ATOM 1705 N N . PHE A 1 211 ? 56.838 7.005 8.738 1.00 10.67 ? 211 PHE A N 1 ATOM 1706 C CA . PHE A 1 211 ? 57.610 7.289 9.944 1.00 10.38 ? 211 PHE A CA 1 ATOM 1707 C C . PHE A 1 211 ? 57.965 5.972 10.588 1.00 13.00 ? 211 PHE A C 1 ATOM 1708 O O . PHE A 1 211 ? 57.073 5.343 11.174 1.00 17.61 ? 211 PHE A O 1 ATOM 1709 C CB . PHE A 1 211 ? 56.780 8.104 10.957 1.00 13.14 ? 211 PHE A CB 1 ATOM 1710 C CG . PHE A 1 211 ? 56.519 9.523 10.520 1.00 11.97 ? 211 PHE A CG 1 ATOM 1711 C CD1 . PHE A 1 211 ? 55.552 9.811 9.542 1.00 13.77 ? 211 PHE A CD1 1 ATOM 1712 C CD2 . PHE A 1 211 ? 57.262 10.565 11.062 1.00 13.58 ? 211 PHE A CD2 1 ATOM 1713 C CE1 . PHE A 1 211 ? 55.311 11.120 9.122 1.00 15.70 ? 211 PHE A CE1 1 ATOM 1714 C CE2 . PHE A 1 211 ? 57.008 11.927 10.655 1.00 14.66 ? 211 PHE A CE2 1 ATOM 1715 C CZ . PHE A 1 211 ? 56.034 12.152 9.705 1.00 13.07 ? 211 PHE A CZ 1 ATOM 1716 N N . ASN A 1 212 ? 59.226 5.561 10.480 1.00 12.85 ? 212 ASN A N 1 ATOM 1717 C CA . ASN A 1 212 ? 59.604 4.213 10.877 1.00 14.41 ? 212 ASN A CA 1 ATOM 1718 C C . ASN A 1 212 ? 60.040 4.164 12.358 1.00 18.63 ? 212 ASN A C 1 ATOM 1719 O O . ASN A 1 212 ? 60.104 5.197 13.029 1.00 20.61 ? 212 ASN A O 1 ATOM 1720 C CB . ASN A 1 212 ? 60.630 3.621 9.896 1.00 14.23 ? 212 ASN A CB 1 ATOM 1721 C CG . ASN A 1 212 ? 62.061 4.062 10.173 1.00 18.01 ? 212 ASN A CG 1 ATOM 1722 O OD1 . ASN A 1 212 ? 62.343 4.754 11.164 1.00 19.44 ? 212 ASN A OD1 1 ATOM 1723 N ND2 . ASN A 1 212 ? 62.980 3.672 9.273 1.00 18.16 ? 212 ASN A ND2 1 ATOM 1724 N N . SER A 1 213 ? 60.332 2.976 12.868 1.00 23.90 ? 213 SER A N 1 ATOM 1725 C CA . SER A 1 213 ? 60.671 2.840 14.304 1.00 22.06 ? 213 SER A CA 1 ATOM 1726 C C . SER A 1 213 ? 62.074 3.390 14.703 1.00 25.85 ? 213 SER A C 1 ATOM 1727 O O . SER A 1 213 ? 62.382 3.517 15.898 1.00 31.81 ? 213 SER A O 1 ATOM 1728 C CB . SER A 1 213 ? 60.550 1.354 14.678 1.00 22.47 ? 213 SER A CB 1 ATOM 1729 O OG . SER A 1 213 ? 61.558 0.701 13.954 1.00 30.90 ? 213 SER A OG 1 ATOM 1730 N N . ASP A 1 214 ? 62.942 3.657 13.728 1.00 22.92 ? 214 ASP A N 1 ATOM 1731 C CA . ASP A 1 214 ? 64.275 4.211 14.001 1.00 19.18 ? 214 ASP A CA 1 ATOM 1732 C C . ASP A 1 214 ? 64.282 5.744 14.047 1.00 20.61 ? 214 ASP A C 1 ATOM 1733 O O . ASP A 1 214 ? 65.369 6.336 14.046 1.00 27.07 ? 214 ASP A O 1 ATOM 1734 C CB . ASP A 1 214 ? 65.266 3.822 12.885 1.00 24.76 ? 214 ASP A CB 1 ATOM 1735 C CG . ASP A 1 214 ? 65.562 2.339 12.860 1.00 30.92 ? 214 ASP A CG 1 ATOM 1736 O OD1 . ASP A 1 214 ? 65.539 1.722 13.958 1.00 27.60 ? 214 ASP A OD1 1 ATOM 1737 O OD2 . ASP A 1 214 ? 65.802 1.812 11.740 1.00 32.92 ? 214 ASP A OD2 1 ATOM 1738 N N . GLY A 1 215 ? 63.116 6.400 13.963 1.00 16.56 ? 215 GLY A N 1 ATOM 1739 C CA . GLY A 1 215 ? 63.124 7.894 13.950 1.00 14.33 ? 215 GLY A CA 1 ATOM 1740 C C . GLY A 1 215 ? 63.360 8.454 12.543 1.00 12.90 ? 215 GLY A C 1 ATOM 1741 O O . GLY A 1 215 ? 63.523 9.654 12.387 1.00 13.07 ? 215 GLY A O 1 ATOM 1742 N N . ALA A 1 216 ? 63.373 7.613 11.497 1.00 11.25 ? 216 ALA A N 1 ATOM 1743 C CA . ALA A 1 216 ? 63.520 8.139 10.134 1.00 10.19 ? 216 ALA A CA 1 ATOM 1744 C C . ALA A 1 216 ? 62.161 8.426 9.485 1.00 10.10 ? 216 ALA A C 1 ATOM 1745 O O . ALA A 1 216 ? 61.118 7.867 9.878 1.00 11.45 ? 216 ALA A O 1 ATOM 1746 C CB . ALA A 1 216 ? 64.284 7.160 9.235 1.00 11.93 ? 216 ALA A CB 1 ATOM 1747 N N . ILE A 1 217 ? 62.185 9.327 8.503 1.00 8.42 ? 217 ILE A N 1 ATOM 1748 C CA . ILE A 1 217 ? 61.005 9.571 7.661 1.00 8.92 ? 217 ILE A CA 1 ATOM 1749 C C . ILE A 1 217 ? 61.393 9.076 6.250 1.00 9.24 ? 217 ILE A C 1 ATOM 1750 O O . ILE A 1 217 ? 62.250 9.654 5.584 1.00 9.13 ? 217 ILE A O 1 ATOM 1751 C CB . ILE A 1 217 ? 60.603 11.033 7.640 1.00 8.22 ? 217 ILE A CB 1 ATOM 1752 C CG1 . ILE A 1 217 ? 60.322 11.531 9.091 1.00 8.47 ? 217 ILE A CG1 1 ATOM 1753 C CG2 . ILE A 1 217 ? 59.341 11.161 6.819 1.00 9.56 ? 217 ILE A CG2 1 ATOM 1754 C CD1 . ILE A 1 217 ? 60.063 13.067 9.195 1.00 12.14 ? 217 ILE A CD1 1 ATOM 1755 N N . VAL A 1 218 ? 60.781 7.963 5.855 1.00 8.71 ? 218 VAL A N 1 ATOM 1756 C CA . VAL A 1 218 ? 61.242 7.180 4.744 1.00 6.94 ? 218 VAL A CA 1 ATOM 1757 C C . VAL A 1 218 ? 60.339 7.436 3.539 1.00 10.12 ? 218 VAL A C 1 ATOM 1758 O O . VAL A 1 218 ? 59.106 7.486 3.705 1.00 9.34 ? 218 VAL A O 1 ATOM 1759 C CB . VAL A 1 218 ? 61.140 5.679 5.083 1.00 8.59 ? 218 VAL A CB 1 ATOM 1760 C CG1 . VAL A 1 218 ? 61.688 4.861 3.919 1.00 12.32 ? 218 VAL A CG1 1 ATOM 1761 C CG2 . VAL A 1 218 ? 61.829 5.361 6.388 1.00 10.30 ? 218 VAL A CG2 1 ATOM 1762 N N . ASN A 1 219 ? 60.925 7.555 2.330 1.00 8.83 ? 219 ASN A N 1 ATOM 1763 C CA . ASN A 1 219 ? 60.132 7.605 1.105 1.00 8.04 ? 219 ASN A CA 1 ATOM 1764 C C . ASN A 1 219 ? 60.121 6.173 0.564 1.00 10.06 ? 219 ASN A C 1 ATOM 1765 O O . ASN A 1 219 ? 61.151 5.691 0.135 1.00 10.39 ? 219 ASN A O 1 ATOM 1766 C CB . ASN A 1 219 ? 60.776 8.541 0.082 1.00 8.35 ? 219 ASN A CB 1 ATOM 1767 C CG . ASN A 1 219 ? 60.090 8.475 -1.276 1.00 9.11 ? 219 ASN A CG 1 ATOM 1768 O OD1 . ASN A 1 219 ? 60.721 8.032 -2.279 1.00 10.80 ? 219 ASN A OD1 1 ATOM 1769 N ND2 . ASN A 1 219 ? 58.795 8.865 -1.335 1.00 9.86 ? 219 ASN A ND2 1 ATOM 1770 N N . PRO A 1 220 ? 58.972 5.468 0.647 1.00 8.34 ? 220 PRO A N 1 ATOM 1771 C CA . PRO A 1 220 ? 59.068 4.027 0.314 1.00 9.19 ? 220 PRO A CA 1 ATOM 1772 C C . PRO A 1 220 ? 59.564 3.697 -1.098 1.00 10.72 ? 220 PRO A C 1 ATOM 1773 O O . PRO A 1 220 ? 60.351 2.733 -1.247 1.00 12.68 ? 220 PRO A O 1 ATOM 1774 C CB . PRO A 1 220 ? 57.622 3.513 0.545 1.00 10.25 ? 220 PRO A CB 1 ATOM 1775 C CG . PRO A 1 220 ? 57.070 4.425 1.578 1.00 13.02 ? 220 PRO A CG 1 ATOM 1776 C CD . PRO A 1 220 ? 57.629 5.815 1.198 1.00 9.31 ? 220 PRO A CD 1 ATOM 1777 N N . LYS A 1 221 ? 59.131 4.452 -2.131 1.00 8.88 ? 221 LYS A N 1 ATOM 1778 C CA . LYS A 1 221 ? 59.580 4.109 -3.519 1.00 11.56 ? 221 LYS A CA 1 ATOM 1779 C C . LYS A 1 221 ? 61.098 4.130 -3.606 1.00 11.81 ? 221 LYS A C 1 ATOM 1780 O O . LYS A 1 221 ? 61.717 3.148 -4.069 1.00 15.04 ? 221 LYS A O 1 ATOM 1781 C CB . LYS A 1 221 ? 58.980 5.028 -4.603 1.00 12.53 ? 221 LYS A CB 1 ATOM 1782 C CG . LYS A 1 221 ? 59.566 4.838 -6.056 1.00 16.60 ? 221 LYS A CG 1 ATOM 1783 C CD . LYS A 1 221 ? 59.254 3.427 -6.599 1.00 24.79 ? 221 LYS A CD 1 ATOM 1784 C CE . LYS A 1 221 ? 59.848 3.147 -8.030 1.00 29.33 ? 221 LYS A CE 1 ATOM 1785 N NZ . LYS A 1 221 ? 59.835 4.396 -8.761 1.00 27.19 ? 221 LYS A NZ 1 ATOM 1786 N N . SER A 1 222 ? 61.700 5.240 -3.167 1.00 8.73 ? 222 SER A N 1 ATOM 1787 C CA . SER A 1 222 ? 63.158 5.353 -3.322 1.00 9.81 ? 222 SER A CA 1 ATOM 1788 C C . SER A 1 222 ? 63.947 4.536 -2.318 1.00 10.44 ? 222 SER A C 1 ATOM 1789 O O . SER A 1 222 ? 65.153 4.175 -2.592 1.00 13.59 ? 222 SER A O 1 ATOM 1790 C CB . SER A 1 222 ? 63.598 6.807 -3.199 1.00 10.99 ? 222 SER A CB 1 ATOM 1791 O OG . SER A 1 222 ? 63.374 7.310 -1.898 1.00 10.11 ? 222 SER A OG 1 ATOM 1792 N N . ARG A 1 223 ? 63.297 4.273 -1.166 1.00 9.40 ? 223 ARG A N 1 ATOM 1793 C CA . ARG A 1 223 ? 63.910 3.656 0.068 1.00 8.58 ? 223 ARG A CA 1 ATOM 1794 C C . ARG A 1 223 ? 64.653 4.680 0.910 1.00 8.60 ? 223 ARG A C 1 ATOM 1795 O O . ARG A 1 223 ? 65.080 4.358 2.027 1.00 11.63 ? 223 ARG A O 1 ATOM 1796 C CB . ARG A 1 223 ? 64.872 2.522 -0.243 1.00 10.62 ? 223 ARG A CB 1 ATOM 1797 C CG . ARG A 1 223 ? 64.302 1.444 -1.199 1.00 12.81 ? 223 ARG A CG 1 ATOM 1798 C CD . ARG A 1 223 ? 65.505 0.639 -1.720 1.00 12.97 ? 223 ARG A CD 1 ATOM 1799 N NE . ARG A 1 223 ? 65.138 -0.219 -2.858 1.00 12.45 ? 223 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 223 ? 64.983 0.200 -4.111 1.00 15.50 ? 223 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 223 ? 64.662 -0.670 -5.074 1.00 19.15 ? 223 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 223 ? 65.120 1.500 -4.401 1.00 18.01 ? 223 ARG A NH2 1 ATOM 1803 N N . LEU A 1 224 ? 64.806 5.887 0.381 1.00 8.51 ? 224 LEU A N 1 ATOM 1804 C CA . LEU A 1 224 ? 65.676 6.872 1.009 1.00 9.63 ? 224 LEU A CA 1 ATOM 1805 C C . LEU A 1 224 ? 64.897 7.702 2.052 1.00 10.97 ? 224 LEU A C 1 ATOM 1806 O O . LEU A 1 224 ? 63.631 7.658 2.114 1.00 10.49 ? 224 LEU A O 1 ATOM 1807 C CB . LEU A 1 224 ? 66.314 7.764 -0.062 1.00 10.08 ? 224 LEU A CB 1 ATOM 1808 C CG . LEU A 1 224 ? 67.053 6.959 -1.156 1.00 10.94 ? 224 LEU A CG 1 ATOM 1809 C CD1 . LEU A 1 224 ? 67.732 7.939 -2.073 1.00 14.31 ? 224 LEU A CD1 1 ATOM 1810 C CD2 . LEU A 1 224 ? 68.067 5.970 -0.569 1.00 13.18 ? 224 LEU A CD2 1 ATOM 1811 N N . VAL A 1 225 ? 65.653 8.383 2.909 1.00 9.84 ? 225 VAL A N 1 ATOM 1812 C CA . VAL A 1 225 ? 65.046 9.035 4.091 1.00 8.85 ? 225 VAL A CA 1 ATOM 1813 C C . VAL A 1 225 ? 65.345 10.539 4.132 1.00 8.15 ? 225 VAL A C 1 ATOM 1814 O O . VAL A 1 225 ? 66.319 11.017 3.525 1.00 9.88 ? 225 VAL A O 1 ATOM 1815 C CB . VAL A 1 225 ? 65.446 8.355 5.429 1.00 9.06 ? 225 VAL A CB 1 ATOM 1816 C CG1 . VAL A 1 225 ? 65.289 6.831 5.329 1.00 11.21 ? 225 VAL A CG1 1 ATOM 1817 C CG2 . VAL A 1 225 ? 66.893 8.722 5.803 1.00 11.29 ? 225 VAL A CG2 1 ATOM 1818 N N A MET A 1 226 ? 64.475 11.300 4.799 0.50 9.01 ? 226 MET A N 1 ATOM 1819 N N B MET A 1 226 ? 64.527 11.257 4.895 0.50 8.58 ? 226 MET A N 1 ATOM 1820 C CA A MET A 1 226 ? 64.670 12.759 4.898 0.50 8.60 ? 226 MET A CA 1 ATOM 1821 C CA B MET A 1 226 ? 64.709 12.696 5.070 0.50 6.78 ? 226 MET A CA 1 ATOM 1822 C C A MET A 1 226 ? 65.924 13.061 5.725 0.50 10.15 ? 226 MET A C 1 ATOM 1823 C C B MET A 1 226 ? 66.035 12.976 5.731 0.50 8.86 ? 226 MET A C 1 ATOM 1824 O O A MET A 1 226 ? 66.127 12.485 6.820 0.50 10.61 ? 226 MET A O 1 ATOM 1825 O O B MET A 1 226 ? 66.405 12.306 6.732 0.50 9.22 ? 226 MET A O 1 ATOM 1826 C CB A MET A 1 226 ? 63.412 13.453 5.479 0.50 7.46 ? 226 MET A CB 1 ATOM 1827 C CB B MET A 1 226 ? 63.565 13.260 5.919 0.50 8.60 ? 226 MET A CB 1 ATOM 1828 C CG A MET A 1 226 ? 62.198 13.468 4.556 0.50 11.01 ? 226 MET A CG 1 ATOM 1829 C CG B MET A 1 226 ? 62.285 13.179 5.203 0.50 8.47 ? 226 MET A CG 1 ATOM 1830 S SD A MET A 1 226 ? 60.857 14.541 5.228 0.50 19.53 ? 226 MET A SD 1 ATOM 1831 S SD B MET A 1 226 ? 61.223 14.571 5.716 0.50 7.70 ? 226 MET A SD 1 ATOM 1832 C CE A MET A 1 226 ? 61.758 15.408 6.464 0.50 5.59 ? 226 MET A CE 1 ATOM 1833 C CE B MET A 1 226 ? 59.785 14.290 4.594 0.50 8.24 ? 226 MET A CE 1 ATOM 1834 N N . ASP A 1 227 ? 66.742 13.980 5.209 1.00 9.12 ? 227 ASP A N 1 ATOM 1835 C CA . ASP A 1 227 ? 68.102 14.200 5.697 1.00 9.13 ? 227 ASP A CA 1 ATOM 1836 C C . ASP A 1 227 ? 68.410 15.672 5.613 1.00 9.83 ? 227 ASP A C 1 ATOM 1837 O O . ASP A 1 227 ? 68.195 16.299 4.550 1.00 11.30 ? 227 ASP A O 1 ATOM 1838 C CB . ASP A 1 227 ? 68.970 13.364 4.765 1.00 11.84 ? 227 ASP A CB 1 ATOM 1839 C CG . ASP A 1 227 ? 70.497 13.560 4.955 1.00 11.30 ? 227 ASP A CG 1 ATOM 1840 O OD1 . ASP A 1 227 ? 70.995 14.698 4.790 1.00 12.70 ? 227 ASP A OD1 1 ATOM 1841 O OD2 . ASP A 1 227 ? 71.186 12.527 5.133 1.00 11.35 ? 227 ASP A OD2 1 ATOM 1842 N N . VAL A 1 228 ? 68.897 16.228 6.729 1.00 11.80 ? 228 VAL A N 1 ATOM 1843 C CA . VAL A 1 228 ? 69.296 17.631 6.731 1.00 10.58 ? 228 VAL A CA 1 ATOM 1844 C C . VAL A 1 228 ? 70.667 17.685 6.062 1.00 10.36 ? 228 VAL A C 1 ATOM 1845 O O . VAL A 1 228 ? 71.673 17.184 6.626 1.00 13.32 ? 228 VAL A O 1 ATOM 1846 C CB . VAL A 1 228 ? 69.391 18.230 8.132 1.00 10.13 ? 228 VAL A CB 1 ATOM 1847 C CG1 . VAL A 1 228 ? 69.827 19.691 8.038 1.00 13.96 ? 228 VAL A CG1 1 ATOM 1848 C CG2 . VAL A 1 228 ? 68.036 18.175 8.842 1.00 11.86 ? 228 VAL A CG2 1 ATOM 1849 N N . ARG A 1 229 ? 70.681 18.213 4.836 1.00 11.81 ? 229 ARG A N 1 ATOM 1850 C CA . ARG A 1 229 ? 71.856 18.071 3.935 1.00 12.46 ? 229 ARG A CA 1 ATOM 1851 C C . ARG A 1 229 ? 73.144 18.511 4.631 1.00 12.66 ? 229 ARG A C 1 ATOM 1852 O O . ARG A 1 229 ? 73.231 19.633 5.175 1.00 14.55 ? 229 ARG A O 1 ATOM 1853 C CB . ARG A 1 229 ? 71.655 18.841 2.616 1.00 11.63 ? 229 ARG A CB 1 ATOM 1854 C CG . ARG A 1 229 ? 72.838 18.652 1.664 1.00 13.55 ? 229 ARG A CG 1 ATOM 1855 C CD . ARG A 1 229 ? 72.561 19.335 0.336 1.00 15.97 ? 229 ARG A CD 1 ATOM 1856 N NE . ARG A 1 229 ? 73.711 19.099 -0.533 1.00 22.99 ? 229 ARG A NE 1 ATOM 1857 C CZ . ARG A 1 229 ? 73.668 19.197 -1.858 1.00 32.54 ? 229 ARG A CZ 1 ATOM 1858 N NH1 . ARG A 1 229 ? 72.525 19.491 -2.463 1.00 37.19 ? 229 ARG A NH1 1 ATOM 1859 N NH2 . ARG A 1 229 ? 74.765 18.968 -2.561 1.00 32.02 ? 229 ARG A NH2 1 ATOM 1860 N N . ALA A 1 230 ? 74.133 17.610 4.604 1.00 14.23 ? 230 ALA A N 1 ATOM 1861 C CA . ALA A 1 230 ? 75.475 17.848 5.197 1.00 15.39 ? 230 ALA A CA 1 ATOM 1862 C C . ALA A 1 230 ? 75.473 18.219 6.694 1.00 14.20 ? 230 ALA A C 1 ATOM 1863 O O . ALA A 1 230 ? 76.461 18.798 7.198 1.00 18.47 ? 230 ALA A O 1 ATOM 1864 C CB . ALA A 1 230 ? 76.209 18.911 4.351 1.00 17.93 ? 230 ALA A CB 1 ATOM 1865 N N . SER A 1 231 ? 74.393 17.865 7.414 1.00 13.40 ? 231 SER A N 1 ATOM 1866 C CA . SER A 1 231 ? 74.196 18.278 8.800 1.00 13.34 ? 231 SER A CA 1 ATOM 1867 C C . SER A 1 231 ? 74.405 19.788 8.949 1.00 14.71 ? 231 SER A C 1 ATOM 1868 O O . SER A 1 231 ? 74.953 20.244 9.964 1.00 19.20 ? 231 SER A O 1 ATOM 1869 C CB . SER A 1 231 ? 75.091 17.542 9.780 1.00 17.59 ? 231 SER A CB 1 ATOM 1870 O OG . SER A 1 231 ? 74.852 16.150 9.750 1.00 20.16 ? 231 SER A OG 1 ATOM 1871 N N . ASN A 1 232 ? 73.964 20.537 7.948 1.00 14.70 ? 232 ASN A N 1 ATOM 1872 C CA . ASN A 1 232 ? 74.225 21.977 7.864 1.00 18.30 ? 232 ASN A CA 1 ATOM 1873 C C . ASN A 1 232 ? 72.902 22.688 7.702 1.00 16.27 ? 232 ASN A C 1 ATOM 1874 O O . ASN A 1 232 ? 72.367 22.811 6.589 1.00 17.02 ? 232 ASN A O 1 ATOM 1875 C CB . ASN A 1 232 ? 75.185 22.277 6.701 1.00 18.17 ? 232 ASN A CB 1 ATOM 1876 C CG . ASN A 1 232 ? 75.583 23.716 6.653 1.00 18.69 ? 232 ASN A CG 1 ATOM 1877 O OD1 . ASN A 1 232 ? 74.914 24.558 7.246 1.00 20.44 ? 232 ASN A OD1 1 ATOM 1878 N ND2 . ASN A 1 232 ? 76.701 24.002 5.966 1.00 24.14 ? 232 ASN A ND2 1 ATOM 1879 N N . VAL A 1 233 ? 72.351 23.160 8.826 1.00 17.69 ? 233 VAL A N 1 ATOM 1880 C CA . VAL A 1 233 ? 70.998 23.730 8.760 1.00 17.00 ? 233 VAL A CA 1 ATOM 1881 C C . VAL A 1 233 ? 71.026 25.041 7.954 1.00 16.97 ? 233 VAL A C 1 ATOM 1882 O O . VAL A 1 233 ? 70.026 25.432 7.390 1.00 18.25 ? 233 VAL A O 1 ATOM 1883 C CB . VAL A 1 233 ? 70.356 23.960 10.178 1.00 20.71 ? 233 VAL A CB 1 ATOM 1884 C CG1 . VAL A 1 233 ? 70.258 22.659 10.951 1.00 18.28 ? 233 VAL A CG1 1 ATOM 1885 C CG2 . VAL A 1 233 ? 71.145 24.937 11.015 1.00 20.59 ? 233 VAL A CG2 1 ATOM 1886 N N A SER A 1 234 ? 72.177 25.717 7.906 0.50 18.59 ? 234 SER A N 1 ATOM 1887 N N B SER A 1 234 ? 72.186 25.700 7.911 0.50 17.63 ? 234 SER A N 1 ATOM 1888 C CA A SER A 1 234 ? 72.282 26.962 7.140 0.50 20.26 ? 234 SER A CA 1 ATOM 1889 C CA B SER A 1 234 ? 72.338 26.936 7.145 0.50 18.47 ? 234 SER A CA 1 ATOM 1890 C C A SER A 1 234 ? 72.151 26.789 5.628 0.50 19.95 ? 234 SER A C 1 ATOM 1891 C C B SER A 1 234 ? 72.156 26.783 5.642 0.50 19.28 ? 234 SER A C 1 ATOM 1892 O O A SER A 1 234 ? 71.856 27.754 4.929 0.50 22.09 ? 234 SER A O 1 ATOM 1893 O O B SER A 1 234 ? 71.818 27.751 4.968 0.50 21.86 ? 234 SER A O 1 ATOM 1894 C CB A SER A 1 234 ? 73.600 27.695 7.460 0.50 22.74 ? 234 SER A CB 1 ATOM 1895 C CB B SER A 1 234 ? 73.711 27.578 7.437 0.50 18.62 ? 234 SER A CB 1 ATOM 1896 O OG A SER A 1 234 ? 74.697 27.039 6.857 0.50 23.99 ? 234 SER A OG 1 ATOM 1897 O OG B SER A 1 234 ? 73.863 27.784 8.828 0.50 21.71 ? 234 SER A OG 1 ATOM 1898 N N . LEU A 1 235 ? 72.360 25.568 5.116 1.00 18.69 ? 235 LEU A N 1 ATOM 1899 C CA . LEU A 1 235 ? 72.156 25.303 3.669 1.00 18.14 ? 235 LEU A CA 1 ATOM 1900 C C . LEU A 1 235 ? 70.687 25.408 3.305 1.00 16.58 ? 235 LEU A C 1 ATOM 1901 O O . LEU A 1 235 ? 70.346 25.653 2.154 1.00 17.47 ? 235 LEU A O 1 ATOM 1902 C CB . LEU A 1 235 ? 72.638 23.914 3.240 1.00 19.17 ? 235 LEU A CB 1 ATOM 1903 C CG . LEU A 1 235 ? 74.122 23.594 3.376 1.00 23.62 ? 235 LEU A CG 1 ATOM 1904 C CD1 . LEU A 1 235 ? 74.379 22.103 3.100 1.00 21.01 ? 235 LEU A CD1 1 ATOM 1905 C CD2 . LEU A 1 235 ? 74.977 24.453 2.415 1.00 26.61 ? 235 LEU A CD2 1 ATOM 1906 N N . ARG A 1 236 ? 69.818 25.214 4.306 1.00 15.25 ? 236 ARG A N 1 ATOM 1907 C CA . ARG A 1 236 ? 68.376 25.278 4.049 1.00 15.84 ? 236 ARG A CA 1 ATOM 1908 C C . ARG A 1 236 ? 67.978 24.333 2.922 1.00 12.20 ? 236 ARG A C 1 ATOM 1909 O O . ARG A 1 236 ? 67.197 24.681 2.023 1.00 13.73 ? 236 ARG A O 1 ATOM 1910 C CB . ARG A 1 236 ? 67.900 26.718 3.845 1.00 15.58 ? 236 ARG A CB 1 ATOM 1911 C CG . ARG A 1 236 ? 68.076 27.447 5.180 1.00 18.68 ? 236 ARG A CG 1 ATOM 1912 C CD . ARG A 1 236 ? 67.403 28.745 5.221 1.00 26.68 ? 236 ARG A CD 1 ATOM 1913 N NE . ARG A 1 236 ? 67.977 29.582 4.206 1.00 29.47 ? 236 ARG A NE 1 ATOM 1914 C CZ . ARG A 1 236 ? 67.417 30.716 3.795 1.00 36.26 ? 236 ARG A CZ 1 ATOM 1915 N NH1 . ARG A 1 236 ? 68.012 31.448 2.848 1.00 32.36 ? 236 ARG A NH1 1 ATOM 1916 N NH2 . ARG A 1 236 ? 66.264 31.101 4.336 1.00 39.97 ? 236 ARG A NH2 1 ATOM 1917 N N . GLU A 1 237 ? 68.486 23.095 3.029 1.00 14.43 ? 237 GLU A N 1 ATOM 1918 C CA . GLU A 1 237 ? 68.173 22.050 2.054 1.00 13.64 ? 237 GLU A CA 1 ATOM 1919 C C . GLU A 1 237 ? 67.961 20.768 2.816 1.00 12.14 ? 237 GLU A C 1 ATOM 1920 O O . GLU A 1 237 ? 68.821 20.349 3.606 1.00 12.18 ? 237 GLU A O 1 ATOM 1921 C CB . GLU A 1 237 ? 69.351 21.863 1.069 1.00 13.63 ? 237 GLU A CB 1 ATOM 1922 C CG . GLU A 1 237 ? 69.425 23.067 0.108 1.00 16.15 ? 237 GLU A CG 1 ATOM 1923 C CD . GLU A 1 237 ? 70.391 22.863 -1.039 1.00 21.82 ? 237 GLU A CD 1 ATOM 1924 O OE1 . GLU A 1 237 ? 71.172 21.906 -1.008 1.00 22.30 ? 237 GLU A OE1 1 ATOM 1925 O OE2 . GLU A 1 237 ? 70.364 23.696 -1.982 1.00 29.73 ? 237 GLU A OE2 1 ATOM 1926 N N . ILE A 1 238 ? 66.825 20.141 2.567 1.00 11.06 ? 238 ILE A N 1 ATOM 1927 C CA . ILE A 1 238 ? 66.542 18.811 3.089 1.00 9.84 ? 238 ILE A CA 1 ATOM 1928 C C . ILE A 1 238 ? 66.525 17.943 1.828 1.00 11.76 ? 238 ILE A C 1 ATOM 1929 O O . ILE A 1 238 ? 65.902 18.302 0.803 1.00 12.11 ? 238 ILE A O 1 ATOM 1930 C CB . ILE A 1 238 ? 65.165 18.767 3.799 1.00 9.15 ? 238 ILE A CB 1 ATOM 1931 C CG1 . ILE A 1 238 ? 65.033 19.875 4.878 1.00 12.04 ? 238 ILE A CG1 1 ATOM 1932 C CG2 . ILE A 1 238 ? 64.934 17.394 4.405 1.00 14.30 ? 238 ILE A CG2 1 ATOM 1933 C CD1 . ILE A 1 238 ? 66.059 19.850 5.966 1.00 14.36 ? 238 ILE A CD1 1 ATOM 1934 N N . ILE A 1 239 ? 67.194 16.798 1.909 1.00 9.84 ? 239 ILE A N 1 ATOM 1935 C CA . ILE A 1 239 ? 67.276 15.894 0.751 1.00 8.91 ? 239 ILE A CA 1 ATOM 1936 C C . ILE A 1 239 ? 66.769 14.537 1.161 1.00 9.26 ? 239 ILE A C 1 ATOM 1937 O O . ILE A 1 239 ? 66.582 14.268 2.372 1.00 9.67 ? 239 ILE A O 1 ATOM 1938 C CB . ILE A 1 239 ? 68.750 15.751 0.282 1.00 10.41 ? 239 ILE A CB 1 ATOM 1939 C CG1 . ILE A 1 239 ? 69.659 15.333 1.451 1.00 11.04 ? 239 ILE A CG1 1 ATOM 1940 C CG2 . ILE A 1 239 ? 69.233 17.092 -0.353 1.00 12.59 ? 239 ILE A CG2 1 ATOM 1941 C CD1 . ILE A 1 239 ? 71.046 14.905 1.003 1.00 10.66 ? 239 ILE A CD1 1 ATOM 1942 N N . ILE A 1 240 ? 66.582 13.664 0.164 1.00 9.05 ? 240 ILE A N 1 ATOM 1943 C CA . ILE A 1 240 ? 66.540 12.225 0.502 1.00 7.65 ? 240 ILE A CA 1 ATOM 1944 C C . ILE A 1 240 ? 67.956 11.657 0.413 1.00 9.17 ? 240 ILE A C 1 ATOM 1945 O O . ILE A 1 240 ? 68.762 12.072 -0.430 1.00 11.60 ? 240 ILE A O 1 ATOM 1946 C CB . ILE A 1 240 ? 65.557 11.445 -0.397 1.00 9.89 ? 240 ILE A CB 1 ATOM 1947 C CG1 . ILE A 1 240 ? 65.834 11.663 -1.888 1.00 11.65 ? 240 ILE A CG1 1 ATOM 1948 C CG2 . ILE A 1 240 ? 64.117 11.819 -0.049 1.00 10.37 ? 240 ILE A CG2 1 ATOM 1949 C CD1 . ILE A 1 240 ? 65.004 10.759 -2.804 1.00 13.36 ? 240 ILE A CD1 1 ATOM 1950 N N . PHE A 1 241 ? 68.247 10.678 1.270 1.00 8.47 ? 241 PHE A N 1 ATOM 1951 C CA . PHE A 1 241 ? 69.580 10.087 1.345 1.00 8.98 ? 241 PHE A CA 1 ATOM 1952 C C . PHE A 1 241 ? 69.421 8.701 1.983 1.00 10.39 ? 241 PHE A C 1 ATOM 1953 O O . PHE A 1 241 ? 68.509 8.456 2.776 1.00 11.11 ? 241 PHE A O 1 ATOM 1954 C CB . PHE A 1 241 ? 70.452 10.988 2.222 1.00 12.66 ? 241 PHE A CB 1 ATOM 1955 C CG . PHE A 1 241 ? 71.944 10.758 2.047 1.00 9.41 ? 241 PHE A CG 1 ATOM 1956 C CD1 . PHE A 1 241 ? 72.612 11.208 0.872 1.00 10.50 ? 241 PHE A CD1 1 ATOM 1957 C CD2 . PHE A 1 241 ? 72.665 10.104 3.036 1.00 12.45 ? 241 PHE A CD2 1 ATOM 1958 C CE1 . PHE A 1 241 ? 74.007 11.004 0.725 1.00 14.06 ? 241 PHE A CE1 1 ATOM 1959 C CE2 . PHE A 1 241 ? 74.044 9.865 2.863 1.00 13.43 ? 241 PHE A CE2 1 ATOM 1960 C CZ . PHE A 1 241 ? 74.723 10.312 1.732 1.00 14.69 ? 241 PHE A CZ 1 ATOM 1961 N N . PRO A 1 242 ? 70.318 7.781 1.692 1.00 10.13 ? 242 PRO A N 1 ATOM 1962 C CA . PRO A 1 242 ? 70.230 6.482 2.389 1.00 10.19 ? 242 PRO A CA 1 ATOM 1963 C C . PRO A 1 242 ? 70.264 6.604 3.915 1.00 10.31 ? 242 PRO A C 1 ATOM 1964 O O . PRO A 1 242 ? 70.994 7.447 4.452 1.00 10.71 ? 242 PRO A O 1 ATOM 1965 C CB . PRO A 1 242 ? 71.507 5.767 1.921 1.00 12.69 ? 242 PRO A CB 1 ATOM 1966 C CG . PRO A 1 242 ? 71.842 6.413 0.647 1.00 15.97 ? 242 PRO A CG 1 ATOM 1967 C CD . PRO A 1 242 ? 71.426 7.832 0.718 1.00 12.14 ? 242 PRO A CD 1 ATOM 1968 N N . ALA A 1 243 ? 69.520 5.755 4.611 1.00 10.76 ? 243 ALA A N 1 ATOM 1969 C CA . ALA A 1 243 ? 69.454 5.810 6.094 1.00 10.63 ? 243 ALA A CA 1 ATOM 1970 C C . ALA A 1 243 ? 70.781 5.475 6.736 1.00 10.12 ? 243 ALA A C 1 ATOM 1971 O O . ALA A 1 243 ? 71.340 4.413 6.475 1.00 11.38 ? 243 ALA A O 1 ATOM 1972 C CB . ALA A 1 243 ? 68.423 4.834 6.604 1.00 12.10 ? 243 ALA A CB 1 ATOM 1973 N N . THR A 1 244 ? 71.250 6.355 7.617 1.00 10.44 ? 244 THR A N 1 ATOM 1974 C CA . THR A 1 244 ? 72.539 6.152 8.292 1.00 11.09 ? 244 THR A CA 1 ATOM 1975 C C . THR A 1 244 ? 72.358 6.119 9.812 1.00 13.37 ? 244 THR A C 1 ATOM 1976 O O . THR A 1 244 ? 73.275 5.762 10.530 1.00 16.12 ? 244 THR A O 1 ATOM 1977 C CB . THR A 1 244 ? 73.494 7.300 8.047 1.00 12.49 ? 244 THR A CB 1 ATOM 1978 O OG1 . THR A 1 244 ? 72.838 8.516 8.450 1.00 13.47 ? 244 THR A OG1 1 ATOM 1979 C CG2 . THR A 1 244 ? 73.899 7.387 6.515 1.00 15.06 ? 244 THR A CG2 1 ATOM 1980 N N . GLY A 1 245 ? 71.170 6.481 10.297 1.00 12.64 ? 245 GLY A N 1 ATOM 1981 C CA . GLY A 1 245 ? 70.964 6.607 11.751 1.00 16.83 ? 245 GLY A CA 1 ATOM 1982 C C . GLY A 1 245 ? 71.576 7.847 12.394 1.00 13.76 ? 245 GLY A C 1 ATOM 1983 O O . GLY A 1 245 ? 71.498 7.998 13.630 1.00 19.18 ? 245 GLY A O 1 ATOM 1984 N N . ASN A 1 246 ? 72.177 8.717 11.586 1.00 14.12 ? 246 ASN A N 1 ATOM 1985 C CA . ASN A 1 246 ? 72.886 9.889 12.087 1.00 12.86 ? 246 ASN A CA 1 ATOM 1986 C C . ASN A 1 246 ? 71.884 10.929 12.584 1.00 13.33 ? 246 ASN A C 1 ATOM 1987 O O . ASN A 1 246 ? 70.725 10.893 12.187 1.00 12.81 ? 246 ASN A O 1 ATOM 1988 C CB . ASN A 1 246 ? 73.787 10.481 10.997 1.00 14.54 ? 246 ASN A CB 1 ATOM 1989 C CG . ASN A 1 246 ? 75.030 9.632 10.751 1.00 17.42 ? 246 ASN A CG 1 ATOM 1990 O OD1 . ASN A 1 246 ? 75.415 8.791 11.600 1.00 22.89 ? 246 ASN A OD1 1 ATOM 1991 N ND2 . ASN A 1 246 ? 75.655 9.832 9.598 1.00 21.76 ? 246 ASN A ND2 1 ATOM 1992 N N . PRO A 1 247 ? 72.330 11.850 13.478 1.00 12.61 ? 247 PRO A N 1 ATOM 1993 C CA . PRO A 1 247 ? 71.390 12.848 14.029 1.00 12.90 ? 247 PRO A CA 1 ATOM 1994 C C . PRO A 1 247 ? 70.637 13.674 12.972 1.00 10.88 ? 247 PRO A C 1 ATOM 1995 O O . PRO A 1 247 ? 69.479 14.097 13.241 1.00 14.19 ? 247 PRO A O 1 ATOM 1996 C CB . PRO A 1 247 ? 72.300 13.762 14.872 1.00 15.10 ? 247 PRO A CB 1 ATOM 1997 C CG . PRO A 1 247 ? 73.450 12.790 15.318 1.00 15.78 ? 247 PRO A CG 1 ATOM 1998 C CD . PRO A 1 247 ? 73.678 11.943 14.080 1.00 14.62 ? 247 PRO A CD 1 ATOM 1999 N N . ASN A 1 248 ? 71.240 13.921 11.801 1.00 11.97 ? 248 ASN A N 1 ATOM 2000 C CA . ASN A 1 248 ? 70.558 14.761 10.778 1.00 12.04 ? 248 ASN A CA 1 ATOM 2001 C C . ASN A 1 248 ? 69.473 13.995 10.021 1.00 11.20 ? 248 ASN A C 1 ATOM 2002 O O . ASN A 1 248 ? 68.935 14.508 9.013 1.00 11.33 ? 248 ASN A O 1 ATOM 2003 C CB . ASN A 1 248 ? 71.571 15.384 9.799 1.00 14.48 ? 248 ASN A CB 1 ATOM 2004 C CG . ASN A 1 248 ? 72.267 14.337 8.937 1.00 10.97 ? 248 ASN A CG 1 ATOM 2005 O OD1 . ASN A 1 248 ? 72.638 13.229 9.434 1.00 16.25 ? 248 ASN A OD1 1 ATOM 2006 N ND2 . ASN A 1 248 ? 72.427 14.649 7.647 1.00 12.14 ? 248 ASN A ND2 1 ATOM 2007 N N . GLN A 1 249 ? 69.223 12.742 10.446 1.00 10.47 ? 249 GLN A N 1 ATOM 2008 C CA . GLN A 1 249 ? 68.132 11.967 9.858 1.00 9.78 ? 249 GLN A CA 1 ATOM 2009 C C . GLN A 1 249 ? 67.125 11.499 10.906 1.00 9.40 ? 249 GLN A C 1 ATOM 2010 O O . GLN A 1 249 ? 66.280 10.660 10.598 1.00 10.89 ? 249 GLN A O 1 ATOM 2011 C CB . GLN A 1 249 ? 68.674 10.712 9.143 1.00 9.29 ? 249 GLN A CB 1 ATOM 2012 C CG . GLN A 1 249 ? 69.566 11.052 7.913 1.00 10.59 ? 249 GLN A CG 1 ATOM 2013 C CD . GLN A 1 249 ? 69.957 9.775 7.202 1.00 11.25 ? 249 GLN A CD 1 ATOM 2014 O OE1 . GLN A 1 249 ? 69.728 8.680 7.752 1.00 11.82 ? 249 GLN A OE1 1 ATOM 2015 N NE2 . GLN A 1 249 ? 70.557 9.883 6.026 1.00 10.83 ? 249 GLN A NE2 1 ATOM 2016 N N . GLN A 1 250 ? 67.210 12.051 12.125 1.00 10.85 ? 250 GLN A N 1 ATOM 2017 C CA . GLN A 1 250 ? 66.294 11.672 13.202 1.00 10.73 ? 250 GLN A CA 1 ATOM 2018 C C . GLN A 1 250 ? 65.209 12.709 13.317 1.00 10.52 ? 250 GLN A C 1 ATOM 2019 O O . GLN A 1 250 ? 65.503 13.946 13.336 1.00 11.17 ? 250 GLN A O 1 ATOM 2020 C CB . GLN A 1 250 ? 67.059 11.635 14.530 1.00 11.84 ? 250 GLN A CB 1 ATOM 2021 C CG . GLN A 1 250 ? 68.113 10.549 14.572 1.00 18.29 ? 250 GLN A CG 1 ATOM 2022 C CD . GLN A 1 250 ? 67.531 9.189 14.736 1.00 35.59 ? 250 GLN A CD 1 ATOM 2023 O OE1 . GLN A 1 250 ? 66.460 9.013 15.325 1.00 36.73 ? 250 GLN A OE1 1 ATOM 2024 N NE2 . GLN A 1 250 ? 68.240 8.191 14.213 1.00 49.04 ? 250 GLN A NE2 1 ATOM 2025 N N . TRP A 1 251 ? 63.987 12.218 13.483 1.00 9.50 ? 251 TRP A N 1 ATOM 2026 C CA . TRP A 1 251 ? 62.815 13.100 13.515 1.00 9.88 ? 251 TRP A CA 1 ATOM 2027 C C . TRP A 1 251 ? 61.844 12.557 14.537 1.00 11.00 ? 251 TRP A C 1 ATOM 2028 O O . TRP A 1 251 ? 61.782 11.326 14.791 1.00 13.21 ? 251 TRP A O 1 ATOM 2029 C CB . TRP A 1 251 ? 62.115 13.132 12.147 1.00 12.02 ? 251 TRP A CB 1 ATOM 2030 C CG . TRP A 1 251 ? 63.040 13.443 10.975 1.00 7.98 ? 251 TRP A CG 1 ATOM 2031 C CD1 . TRP A 1 251 ? 63.751 12.544 10.258 1.00 9.08 ? 251 TRP A CD1 1 ATOM 2032 C CD2 . TRP A 1 251 ? 63.372 14.742 10.454 1.00 7.75 ? 251 TRP A CD2 1 ATOM 2033 N NE1 . TRP A 1 251 ? 64.512 13.173 9.281 1.00 10.92 ? 251 TRP A NE1 1 ATOM 2034 C CE2 . TRP A 1 251 ? 64.309 14.533 9.380 1.00 8.83 ? 251 TRP A CE2 1 ATOM 2035 C CE3 . TRP A 1 251 ? 62.985 16.065 10.790 1.00 8.81 ? 251 TRP A CE3 1 ATOM 2036 C CZ2 . TRP A 1 251 ? 64.851 15.582 8.645 1.00 8.72 ? 251 TRP A CZ2 1 ATOM 2037 C CZ3 . TRP A 1 251 ? 63.527 17.115 10.052 1.00 10.35 ? 251 TRP A CZ3 1 ATOM 2038 C CH2 . TRP A 1 251 ? 64.435 16.859 8.969 1.00 9.36 ? 251 TRP A CH2 1 ATOM 2039 N N A VAL A 1 252 ? 61.091 13.480 15.129 0.50 11.75 ? 252 VAL A N 1 ATOM 2040 N N B VAL A 1 252 ? 61.072 13.446 15.152 0.50 12.93 ? 252 VAL A N 1 ATOM 2041 C CA A VAL A 1 252 ? 60.021 13.143 16.070 0.50 10.80 ? 252 VAL A CA 1 ATOM 2042 C CA B VAL A 1 252 ? 59.922 13.001 15.950 0.50 13.21 ? 252 VAL A CA 1 ATOM 2043 C C A VAL A 1 252 ? 58.809 13.998 15.665 0.50 11.15 ? 252 VAL A C 1 ATOM 2044 C C B VAL A 1 252 ? 58.810 14.001 15.812 0.50 12.71 ? 252 VAL A C 1 ATOM 2045 O O A VAL A 1 252 ? 58.985 15.124 15.160 0.50 12.25 ? 252 VAL A O 1 ATOM 2046 O O B VAL A 1 252 ? 59.047 15.220 15.705 0.50 12.24 ? 252 VAL A O 1 ATOM 2047 C CB A VAL A 1 252 ? 60.470 13.356 17.565 0.50 14.60 ? 252 VAL A CB 1 ATOM 2048 C CB B VAL A 1 252 ? 60.249 12.758 17.446 0.50 13.93 ? 252 VAL A CB 1 ATOM 2049 C CG1 A VAL A 1 252 ? 61.706 12.487 17.922 0.50 14.62 ? 252 VAL A CG1 1 ATOM 2050 C CG1 B VAL A 1 252 ? 60.593 14.061 18.153 0.50 11.32 ? 252 VAL A CG1 1 ATOM 2051 C CG2 A VAL A 1 252 ? 60.796 14.790 17.845 0.50 16.27 ? 252 VAL A CG2 1 ATOM 2052 C CG2 B VAL A 1 252 ? 59.082 12.039 18.187 0.50 17.71 ? 252 VAL A CG2 1 ATOM 2053 N N . THR A 1 253 ? 57.595 13.485 15.844 1.00 12.19 ? 253 THR A N 1 ATOM 2054 C CA . THR A 1 253 ? 56.439 14.334 15.704 1.00 12.05 ? 253 THR A CA 1 ATOM 2055 C C . THR A 1 253 ? 56.080 14.839 17.070 1.00 13.05 ? 253 THR A C 1 ATOM 2056 O O . THR A 1 253 ? 56.152 14.079 18.081 1.00 17.93 ? 253 THR A O 1 ATOM 2057 C CB . THR A 1 253 ? 55.255 13.631 15.040 1.00 15.27 ? 253 THR A CB 1 ATOM 2058 O OG1 . THR A 1 253 ? 55.010 12.450 15.757 1.00 19.82 ? 253 THR A OG1 1 ATOM 2059 C CG2 . THR A 1 253 ? 55.613 13.256 13.623 1.00 18.04 ? 253 THR A CG2 1 ATOM 2060 N N . GLN A 1 254 ? 55.664 16.100 17.122 1.00 10.82 ? 254 GLN A N 1 ATOM 2061 C CA . GLN A 1 254 ? 55.181 16.674 18.389 1.00 13.15 ? 254 GLN A CA 1 ATOM 2062 C C . GLN A 1 254 ? 53.842 17.318 18.155 1.00 9.40 ? 254 GLN A C 1 ATOM 2063 O O . GLN A 1 254 ? 53.720 18.332 17.469 1.00 13.88 ? 254 GLN A O 1 ATOM 2064 C CB . GLN A 1 254 ? 56.185 17.650 18.999 1.00 16.85 ? 254 GLN A CB 1 ATOM 2065 C CG . GLN A 1 254 ? 57.494 16.940 19.388 1.00 19.02 ? 254 GLN A CG 1 ATOM 2066 C CD . GLN A 1 254 ? 57.368 16.086 20.681 1.00 31.80 ? 254 GLN A CD 1 ATOM 2067 O OE1 . GLN A 1 254 ? 58.144 15.151 20.897 1.00 36.85 ? 254 GLN A OE1 1 ATOM 2068 N NE2 . GLN A 1 254 ? 56.381 16.416 21.536 1.00 35.46 ? 254 GLN A NE2 1 ATOM 2069 N N . VAL A 1 255 ? 52.820 16.697 18.732 1.00 11.78 ? 255 VAL A N 1 ATOM 2070 C CA . VAL A 1 255 ? 51.466 17.126 18.550 1.00 13.57 ? 255 VAL A CA 1 ATOM 2071 C C . VAL A 1 255 ? 51.325 18.583 18.974 1.00 14.52 ? 255 VAL A C 1 ATOM 2072 O O . VAL A 1 255 ? 51.871 19.014 20.021 1.00 16.61 ? 255 VAL A O 1 ATOM 2073 C CB . VAL A 1 255 ? 50.554 16.225 19.339 1.00 21.08 ? 255 VAL A CB 1 ATOM 2074 C CG1 . VAL A 1 255 ? 49.191 16.823 19.388 1.00 23.23 ? 255 VAL A CG1 1 ATOM 2075 C CG2 . VAL A 1 255 ? 50.584 14.829 18.636 1.00 27.30 ? 255 VAL A CG2 1 ATOM 2076 N N . LEU A 1 256 ? 50.602 19.334 18.164 1.00 14.72 ? 256 LEU A N 1 ATOM 2077 C CA . LEU A 1 256 ? 50.342 20.764 18.431 1.00 15.92 ? 256 LEU A CA 1 ATOM 2078 C C . LEU A 1 256 ? 49.017 20.963 19.170 1.00 16.12 ? 256 LEU A C 1 ATOM 2079 O O . LEU A 1 256 ? 48.123 20.164 19.025 1.00 17.36 ? 256 LEU A O 1 ATOM 2080 C CB . LEU A 1 256 ? 50.297 21.513 17.114 1.00 13.31 ? 256 LEU A CB 1 ATOM 2081 C CG . LEU A 1 256 ? 51.694 21.716 16.513 1.00 14.03 ? 256 LEU A CG 1 ATOM 2082 C CD1 . LEU A 1 256 ? 51.672 21.880 15.014 1.00 14.77 ? 256 LEU A CD1 1 ATOM 2083 C CD2 . LEU A 1 256 ? 52.428 22.937 17.148 1.00 17.31 ? 256 LEU A CD2 1 ATOM 2084 N N . PRO A 1 257 ? 48.919 22.025 19.997 1.00 15.63 ? 257 PRO A N 1 ATOM 2085 C CA . PRO A 1 257 ? 47.698 22.302 20.712 1.00 15.61 ? 257 PRO A CA 1 ATOM 2086 C C . PRO A 1 257 ? 46.627 22.845 19.818 1.00 22.62 ? 257 PRO A C 1 ATOM 2087 O O . PRO A 1 257 ? 46.987 23.560 18.828 1.00 22.32 ? 257 PRO A O 1 ATOM 2088 C CB . PRO A 1 257 ? 48.128 23.315 21.799 1.00 19.18 ? 257 PRO A CB 1 ATOM 2089 C CG . PRO A 1 257 ? 49.395 23.950 21.283 1.00 18.38 ? 257 PRO A CG 1 ATOM 2090 C CD . PRO A 1 257 ? 49.993 22.998 20.278 1.00 16.11 ? 257 PRO A CD 1 HETATM 2091 C C1 . NAG B 2 . ? 48.703 -1.707 -14.094 1.00 23.14 ? 258 NAG A C1 1 HETATM 2092 C C2 . NAG B 2 . ? 49.682 -1.739 -15.292 1.00 25.02 ? 258 NAG A C2 1 HETATM 2093 C C3 . NAG B 2 . ? 50.425 -0.424 -15.353 1.00 27.50 ? 258 NAG A C3 1 HETATM 2094 C C4 . NAG B 2 . ? 49.417 0.704 -15.431 1.00 33.80 ? 258 NAG A C4 1 HETATM 2095 C C5 . NAG B 2 . ? 48.373 0.606 -14.309 1.00 33.55 ? 258 NAG A C5 1 HETATM 2096 C C6 . NAG B 2 . ? 47.326 1.717 -14.403 1.00 36.74 ? 258 NAG A C6 1 HETATM 2097 C C7 . NAG B 2 . ? 50.791 -3.742 -16.160 1.00 37.33 ? 258 NAG A C7 1 HETATM 2098 C C8 . NAG B 2 . ? 51.792 -4.830 -15.905 1.00 40.05 ? 258 NAG A C8 1 HETATM 2099 N N2 . NAG B 2 . ? 50.615 -2.854 -15.176 1.00 30.09 ? 258 NAG A N2 1 HETATM 2100 O O3 . NAG B 2 . ? 51.180 -0.322 -16.565 1.00 37.20 ? 258 NAG A O3 1 HETATM 2101 O O4 . NAG B 2 . ? 50.175 1.891 -15.328 1.00 37.53 ? 258 NAG A O4 1 HETATM 2102 O O5 . NAG B 2 . ? 47.775 -0.685 -14.357 1.00 25.63 ? 258 NAG A O5 1 HETATM 2103 O O6 . NAG B 2 . ? 46.523 1.566 -15.575 1.00 38.11 ? 258 NAG A O6 1 HETATM 2104 O O7 . NAG B 2 . ? 50.197 -3.695 -17.244 1.00 38.13 ? 258 NAG A O7 1 HETATM 2105 C C1 . NAG C 2 . ? 49.801 2.810 -16.372 1.00 42.26 ? 259 NAG A C1 1 HETATM 2106 C C2 . NAG C 2 . ? 50.282 4.214 -15.999 1.00 43.68 ? 259 NAG A C2 1 HETATM 2107 C C3 . NAG C 2 . ? 50.006 5.185 -17.146 1.00 45.74 ? 259 NAG A C3 1 HETATM 2108 C C4 . NAG C 2 . ? 50.481 4.623 -18.486 1.00 48.00 ? 259 NAG A C4 1 HETATM 2109 C C5 . NAG C 2 . ? 49.926 3.210 -18.687 1.00 57.09 ? 259 NAG A C5 1 HETATM 2110 C C6 . NAG C 2 . ? 50.389 2.600 -20.008 1.00 47.48 ? 259 NAG A C6 1 HETATM 2111 C C7 . NAG C 2 . ? 50.311 4.687 -13.550 1.00 40.73 ? 259 NAG A C7 1 HETATM 2112 C C8 . NAG C 2 . ? 49.534 5.236 -12.385 1.00 34.79 ? 259 NAG A C8 1 HETATM 2113 N N2 . NAG C 2 . ? 49.684 4.703 -14.751 1.00 40.88 ? 259 NAG A N2 1 HETATM 2114 O O3 . NAG C 2 . ? 50.679 6.397 -16.870 1.00 38.20 ? 259 NAG A O3 1 HETATM 2115 O O4 . NAG C 2 . ? 50.073 5.477 -19.538 1.00 58.65 ? 259 NAG A O4 1 HETATM 2116 O O5 . NAG C 2 . ? 50.353 2.396 -17.606 1.00 47.70 ? 259 NAG A O5 1 HETATM 2117 O O6 . NAG C 2 . ? 49.524 1.538 -20.347 1.00 61.06 ? 259 NAG A O6 1 HETATM 2118 O O7 . NAG C 2 . ? 51.452 4.240 -13.340 1.00 39.90 ? 259 NAG A O7 1 HETATM 2119 C C1 . FUC D 3 . ? 52.596 -0.556 -16.373 1.00 41.79 ? 260 FUC A C1 1 HETATM 2120 C C2 . FUC D 3 . ? 53.220 -0.700 -17.765 1.00 41.71 ? 260 FUC A C2 1 HETATM 2121 C C3 . FUC D 3 . ? 53.134 0.655 -18.481 1.00 54.23 ? 260 FUC A C3 1 HETATM 2122 C C4 . FUC D 3 . ? 53.826 1.738 -17.660 1.00 43.78 ? 260 FUC A C4 1 HETATM 2123 C C5 . FUC D 3 . ? 53.215 1.798 -16.261 1.00 44.40 ? 260 FUC A C5 1 HETATM 2124 C C6 . FUC D 3 . ? 53.953 2.827 -15.409 1.00 37.44 ? 260 FUC A C6 1 HETATM 2125 O O2 . FUC D 3 . ? 52.543 -1.711 -18.487 1.00 43.29 ? 260 FUC A O2 1 HETATM 2126 O O3 . FUC D 3 . ? 53.760 0.593 -19.750 1.00 52.85 ? 260 FUC A O3 1 HETATM 2127 O O4 . FUC D 3 . ? 55.201 1.407 -17.522 1.00 49.64 ? 260 FUC A O4 1 HETATM 2128 O O5 . FUC D 3 . ? 53.252 0.491 -15.651 1.00 41.10 ? 260 FUC A O5 1 HETATM 2129 C C1 . NAG E 2 . ? 26.058 -15.026 2.807 1.00 20.05 ? 261 NAG A C1 1 HETATM 2130 C C2 . NAG E 2 . ? 24.974 -14.440 3.677 1.00 22.50 ? 261 NAG A C2 1 HETATM 2131 C C3 . NAG E 2 . ? 24.341 -15.617 4.454 1.00 25.61 ? 261 NAG A C3 1 HETATM 2132 C C4 . NAG E 2 . ? 23.892 -16.729 3.530 1.00 33.39 ? 261 NAG A C4 1 HETATM 2133 C C5 . NAG E 2 . ? 25.084 -17.141 2.670 1.00 30.07 ? 261 NAG A C5 1 HETATM 2134 C C6 . NAG E 2 . ? 24.788 -18.286 1.716 1.00 33.08 ? 261 NAG A C6 1 HETATM 2135 C C7 . NAG E 2 . ? 25.085 -12.221 4.637 1.00 26.24 ? 261 NAG A C7 1 HETATM 2136 C C8 . NAG E 2 . ? 25.703 -11.297 5.646 1.00 27.42 ? 261 NAG A C8 1 HETATM 2137 N N2 . NAG E 2 . ? 25.518 -13.479 4.618 1.00 27.16 ? 261 NAG A N2 1 HETATM 2138 O O3 . NAG E 2 . ? 23.266 -15.165 5.272 1.00 33.17 ? 261 NAG A O3 1 HETATM 2139 O O4 . NAG E 2 . ? 23.529 -17.781 4.402 1.00 38.89 ? 261 NAG A O4 1 HETATM 2140 O O5 . NAG E 2 . ? 25.524 -15.981 1.937 1.00 24.78 ? 261 NAG A O5 1 HETATM 2141 O O6 . NAG E 2 . ? 23.791 -17.867 0.812 1.00 41.12 ? 261 NAG A O6 1 HETATM 2142 O O7 . NAG E 2 . ? 24.221 -11.799 3.852 1.00 30.00 ? 261 NAG A O7 1 HETATM 2143 C C1 . NAG F 2 . ? 22.191 -18.223 4.069 1.00 44.79 ? 262 NAG A C1 1 HETATM 2144 C C2 . NAG F 2 . ? 21.960 -19.650 4.599 1.00 50.10 ? 262 NAG A C2 1 HETATM 2145 C C3 . NAG F 2 . ? 20.485 -20.067 4.525 1.00 47.18 ? 262 NAG A C3 1 HETATM 2146 C C4 . NAG F 2 . ? 19.500 -18.921 4.769 1.00 60.04 ? 262 NAG A C4 1 HETATM 2147 C C5 . NAG F 2 . ? 19.930 -17.617 4.080 1.00 55.78 ? 262 NAG A C5 1 HETATM 2148 C C6 . NAG F 2 . ? 18.979 -16.451 4.348 1.00 49.14 ? 262 NAG A C6 1 HETATM 2149 C C7 . NAG F 2 . ? 23.910 -21.089 4.513 1.00 46.08 ? 262 NAG A C7 1 HETATM 2150 C C8 . NAG F 2 . ? 24.837 -21.978 3.715 1.00 40.01 ? 262 NAG A C8 1 HETATM 2151 N N2 . NAG F 2 . ? 22.804 -20.624 3.895 1.00 37.26 ? 262 NAG A N2 1 HETATM 2152 O O3 . NAG F 2 . ? 20.253 -21.048 5.512 1.00 62.22 ? 262 NAG A O3 1 HETATM 2153 O O4 . NAG F 2 . ? 18.223 -19.333 4.317 1.00 57.44 ? 262 NAG A O4 1 HETATM 2154 O O5 . NAG F 2 . ? 21.224 -17.303 4.551 1.00 48.74 ? 262 NAG A O5 1 HETATM 2155 O O6 . NAG F 2 . ? 19.483 -15.647 5.391 1.00 55.30 ? 262 NAG A O6 1 HETATM 2156 O O7 . NAG F 2 . ? 24.191 -20.798 5.693 1.00 45.56 ? 262 NAG A O7 1 HETATM 2157 C C1 . FUC G 3 . ? 23.784 -15.047 6.610 1.00 42.66 ? 263 FUC A C1 1 HETATM 2158 C C2 . FUC G 3 . ? 22.868 -14.169 7.458 1.00 59.38 ? 263 FUC A C2 1 HETATM 2159 C C3 . FUC G 3 . ? 21.521 -14.904 7.581 1.00 50.40 ? 263 FUC A C3 1 HETATM 2160 C C4 . FUC G 3 . ? 21.734 -16.249 8.281 1.00 63.89 ? 263 FUC A C4 1 HETATM 2161 C C5 . FUC G 3 . ? 22.692 -17.047 7.387 1.00 50.70 ? 263 FUC A C5 1 HETATM 2162 C C6 . FUC G 3 . ? 22.974 -18.458 7.890 1.00 62.50 ? 263 FUC A C6 1 HETATM 2163 O O2 . FUC G 3 . ? 22.708 -12.865 6.917 1.00 46.50 ? 263 FUC A O2 1 HETATM 2164 O O3 . FUC G 3 . ? 20.527 -14.140 8.224 1.00 60.09 ? 263 FUC A O3 1 HETATM 2165 O O4 . FUC G 3 . ? 22.298 -16.061 9.564 1.00 51.24 ? 263 FUC A O4 1 HETATM 2166 O O5 . FUC G 3 . ? 23.917 -16.331 7.209 1.00 59.77 ? 263 FUC A O5 1 HETATM 2167 C C1 . NAG H 2 . ? 45.502 23.134 10.964 1.00 14.54 ? 264 NAG A C1 1 HETATM 2168 C C2 . NAG H 2 . ? 45.253 24.181 12.068 1.00 18.29 ? 264 NAG A C2 1 HETATM 2169 C C3 . NAG H 2 . ? 43.803 24.030 12.528 1.00 19.25 ? 264 NAG A C3 1 HETATM 2170 C C4 . NAG H 2 . ? 42.784 24.059 11.356 1.00 22.21 ? 264 NAG A C4 1 HETATM 2171 C C5 . NAG H 2 . ? 43.251 23.109 10.242 1.00 18.68 ? 264 NAG A C5 1 HETATM 2172 C C6 . NAG H 2 . ? 42.411 23.098 8.966 1.00 22.52 ? 264 NAG A C6 1 HETATM 2173 C C7 . NAG H 2 . ? 46.285 23.105 14.017 1.00 19.67 ? 264 NAG A C7 1 HETATM 2174 C C8 . NAG H 2 . ? 47.245 23.257 15.168 1.00 21.07 ? 264 NAG A C8 1 HETATM 2175 N N2 . NAG H 2 . ? 46.215 24.124 13.170 1.00 19.35 ? 264 NAG A N2 1 HETATM 2176 O O3 . NAG H 2 . ? 43.484 25.032 13.494 1.00 23.24 ? 264 NAG A O3 1 HETATM 2177 O O4 . NAG H 2 . ? 41.532 23.556 11.787 1.00 24.08 ? 264 NAG A O4 1 HETATM 2178 O O5 . NAG H 2 . ? 44.595 23.413 9.915 1.00 17.80 ? 264 NAG A O5 1 HETATM 2179 O O6 . NAG H 2 . ? 42.439 24.429 8.528 1.00 21.50 ? 264 NAG A O6 1 HETATM 2180 O O7 . NAG H 2 . ? 45.600 22.069 13.914 1.00 22.12 ? 264 NAG A O7 1 HETATM 2181 C C1 . NAG I 2 . ? 40.419 24.480 11.789 1.00 28.49 ? 265 NAG A C1 1 HETATM 2182 C C2 . NAG I 2 . ? 39.146 23.617 11.737 1.00 31.45 ? 265 NAG A C2 1 HETATM 2183 C C3 . NAG I 2 . ? 37.856 24.402 12.043 1.00 34.63 ? 265 NAG A C3 1 HETATM 2184 C C4 . NAG I 2 . ? 38.053 25.296 13.252 1.00 32.90 ? 265 NAG A C4 1 HETATM 2185 C C5 . NAG I 2 . ? 39.332 26.122 13.103 1.00 30.57 ? 265 NAG A C5 1 HETATM 2186 C C6 . NAG I 2 . ? 39.574 26.963 14.350 1.00 34.18 ? 265 NAG A C6 1 HETATM 2187 C C7 . NAG I 2 . ? 39.270 21.665 10.275 1.00 33.07 ? 265 NAG A C7 1 HETATM 2188 C C8 . NAG I 2 . ? 39.060 21.148 8.881 1.00 29.34 ? 265 NAG A C8 1 HETATM 2189 N N2 . NAG I 2 . ? 38.964 22.961 10.464 1.00 26.98 ? 265 NAG A N2 1 HETATM 2190 O O3 . NAG I 2 . ? 36.801 23.477 12.298 1.00 34.59 ? 265 NAG A O3 1 HETATM 2191 O O4 . NAG I 2 . ? 36.898 26.091 13.475 1.00 37.72 ? 265 NAG A O4 1 HETATM 2192 O O5 . NAG I 2 . ? 40.437 25.231 12.987 1.00 28.33 ? 265 NAG A O5 1 HETATM 2193 O O6 . NAG I 2 . ? 39.846 26.098 15.442 1.00 35.40 ? 265 NAG A O6 1 HETATM 2194 O O7 . NAG I 2 . ? 39.711 20.893 11.159 1.00 28.98 ? 265 NAG A O7 1 HETATM 2195 C C1 . NAG J 2 . ? 77.099 25.406 5.932 1.00 30.27 ? 266 NAG A C1 1 HETATM 2196 C C2 . NAG J 2 . ? 78.530 25.498 5.370 1.00 38.83 ? 266 NAG A C2 1 HETATM 2197 C C3 . NAG J 2 . ? 78.962 26.970 5.457 1.00 39.64 ? 266 NAG A C3 1 HETATM 2198 C C4 . NAG J 2 . ? 78.114 27.730 4.428 1.00 45.14 ? 266 NAG A C4 1 HETATM 2199 C C5 . NAG J 2 . ? 76.643 27.542 4.858 1.00 35.89 ? 266 NAG A C5 1 HETATM 2200 C C6 . NAG J 2 . ? 75.617 28.231 3.966 1.00 34.79 ? 266 NAG A C6 1 HETATM 2201 C C7 . NAG J 2 . ? 79.632 24.401 7.238 1.00 47.19 ? 266 NAG A C7 1 HETATM 2202 C C8 . NAG J 2 . ? 80.721 23.447 7.651 1.00 35.98 ? 266 NAG A C8 1 HETATM 2203 N N2 . NAG J 2 . ? 79.479 24.549 5.937 1.00 38.63 ? 266 NAG A N2 1 HETATM 2204 O O3 . NAG J 2 . ? 80.345 27.169 5.275 1.00 44.16 ? 266 NAG A O3 1 HETATM 2205 O O4 . NAG J 2 . ? 78.437 29.106 4.400 1.00 51.26 ? 266 NAG A O4 1 HETATM 2206 O O5 . NAG J 2 . ? 76.335 26.127 4.995 1.00 30.18 ? 266 NAG A O5 1 HETATM 2207 O O6 . NAG J 2 . ? 75.823 27.874 2.613 1.00 37.06 ? 266 NAG A O6 1 HETATM 2208 O O7 . NAG J 2 . ? 78.933 25.003 8.057 1.00 47.77 ? 266 NAG A O7 1 HETATM 2209 C C1 . LAT K 4 . ? 25.320 8.024 1.135 1.00 14.83 ? 267 LAT A C1 1 HETATM 2210 C C2 . LAT K 4 . ? 26.192 7.304 2.200 1.00 13.47 ? 267 LAT A C2 1 HETATM 2211 C C3 . LAT K 4 . ? 27.631 7.798 2.100 1.00 11.57 ? 267 LAT A C3 1 HETATM 2212 C C4 . LAT K 4 . ? 28.169 7.751 0.648 1.00 10.96 ? 267 LAT A C4 1 HETATM 2213 C C5 . LAT K 4 . ? 27.217 8.583 -0.212 1.00 12.70 ? 267 LAT A C5 1 HETATM 2214 C C6 . LAT K 4 . ? 27.709 8.800 -1.653 1.00 12.28 ? 267 LAT A C6 1 HETATM 2215 O O1 . LAT K 4 . ? 24.115 7.302 1.073 1.00 15.71 ? 267 LAT A O1 1 HETATM 2216 O O2 . LAT K 4 . ? 25.712 7.560 3.490 1.00 15.42 ? 267 LAT A O2 1 HETATM 2217 O O3 . LAT K 4 . ? 28.433 7.077 3.032 1.00 11.68 ? 267 LAT A O3 1 HETATM 2218 O O4 . LAT K 4 . ? 28.207 6.404 0.192 1.00 12.28 ? 267 LAT A O4 1 HETATM 2219 O O5 . LAT K 4 . ? 25.927 7.996 -0.160 1.00 13.71 ? 267 LAT A O5 1 HETATM 2220 O O6 . LAT K 4 . ? 27.775 7.555 -2.380 1.00 16.22 ? 267 LAT A O6 1 HETATM 2221 C "C1'" . LAT K 4 . ? 20.212 7.556 -0.117 1.00 33.46 ? 267 LAT A "C1'" 1 HETATM 2222 C "C2'" . LAT K 4 . ? 21.191 8.295 -1.018 1.00 21.91 ? 267 LAT A "C2'" 1 HETATM 2223 C "C3'" . LAT K 4 . ? 22.597 7.759 -0.736 1.00 22.65 ? 267 LAT A "C3'" 1 HETATM 2224 C "C4'" . LAT K 4 . ? 22.927 8.003 0.746 1.00 17.69 ? 267 LAT A "C4'" 1 HETATM 2225 C "C5'" . LAT K 4 . ? 21.881 7.291 1.578 1.00 26.94 ? 267 LAT A "C5'" 1 HETATM 2226 C "C6'" . LAT K 4 . ? 22.039 7.603 3.064 1.00 34.31 ? 267 LAT A "C6'" 1 HETATM 2227 O "O2'" . LAT K 4 . ? 20.912 8.121 -2.407 1.00 28.57 ? 267 LAT A "O2'" 1 HETATM 2228 O "O3'" . LAT K 4 . ? 23.548 8.367 -1.586 1.00 24.58 ? 267 LAT A "O3'" 1 HETATM 2229 O "O5'" . LAT K 4 . ? 20.611 7.840 1.229 1.00 28.61 ? 267 LAT A "O5'" 1 HETATM 2230 O "O6'" . LAT K 4 . ? 22.249 8.999 3.196 1.00 32.53 ? 267 LAT A "O6'" 1 HETATM 2231 C C1 . LAT L 4 . ? 76.674 14.372 4.534 1.00 16.89 ? 268 LAT A C1 1 HETATM 2232 C C2 . LAT L 4 . ? 75.629 14.010 5.572 1.00 15.05 ? 268 LAT A C2 1 HETATM 2233 C C3 . LAT L 4 . ? 74.637 13.094 4.928 1.00 15.65 ? 268 LAT A C3 1 HETATM 2234 C C4 . LAT L 4 . ? 74.073 13.756 3.678 1.00 13.71 ? 268 LAT A C4 1 HETATM 2235 C C5 . LAT L 4 . ? 75.218 14.155 2.703 1.00 15.35 ? 268 LAT A C5 1 HETATM 2236 C C6 . LAT L 4 . ? 74.765 14.753 1.375 1.00 18.70 ? 268 LAT A C6 1 HETATM 2237 O O1 . LAT L 4 . ? 77.582 15.272 5.139 1.00 18.62 ? 268 LAT A O1 1 HETATM 2238 O O2 . LAT L 4 . ? 76.274 13.282 6.603 1.00 19.82 ? 268 LAT A O2 1 HETATM 2239 O O3 . LAT L 4 . ? 73.644 12.791 5.896 1.00 14.78 ? 268 LAT A O3 1 HETATM 2240 O O4 . LAT L 4 . ? 73.367 14.921 4.041 1.00 14.42 ? 268 LAT A O4 1 HETATM 2241 O O5 . LAT L 4 . ? 76.087 15.016 3.412 1.00 16.98 ? 268 LAT A O5 1 HETATM 2242 O O6 . LAT L 4 . ? 75.926 15.165 0.603 1.00 21.54 ? 268 LAT A O6 1 HETATM 2243 C "C1'" . LAT L 4 . ? 80.792 17.640 4.077 1.00 31.60 ? 268 LAT A "C1'" 1 HETATM 2244 C "C2'" . LAT L 4 . ? 80.111 17.069 2.835 1.00 28.71 ? 268 LAT A "C2'" 1 HETATM 2245 C "C3'" . LAT L 4 . ? 78.830 16.270 3.228 1.00 25.68 ? 268 LAT A "C3'" 1 HETATM 2246 C "C4'" . LAT L 4 . ? 78.885 15.468 4.530 1.00 22.85 ? 268 LAT A "C4'" 1 HETATM 2247 C "C5'" . LAT L 4 . ? 79.703 16.237 5.550 1.00 30.23 ? 268 LAT A "C5'" 1 HETATM 2248 C "C6'" . LAT L 4 . ? 79.823 15.473 6.861 1.00 34.33 ? 268 LAT A "C6'" 1 HETATM 2249 O "O2'" . LAT L 4 . ? 79.827 18.168 1.975 1.00 31.48 ? 268 LAT A "O2'" 1 HETATM 2250 O "O3'" . LAT L 4 . ? 78.485 15.358 2.191 1.00 28.30 ? 268 LAT A "O3'" 1 HETATM 2251 O "O5'" . LAT L 4 . ? 80.970 16.551 4.961 1.00 31.81 ? 268 LAT A "O5'" 1 HETATM 2252 O "O6'" . LAT L 4 . ? 81.034 14.797 6.812 1.00 35.09 ? 268 LAT A "O6'" 1 HETATM 2253 S S . SO4 M 5 . ? 28.337 -15.097 6.450 1.00 46.12 ? 901 SO4 A S 1 HETATM 2254 O O1 . SO4 M 5 . ? 27.562 -16.000 5.585 1.00 48.09 ? 901 SO4 A O1 1 HETATM 2255 O O2 . SO4 M 5 . ? 27.541 -13.922 6.851 1.00 44.22 ? 901 SO4 A O2 1 HETATM 2256 O O3 . SO4 M 5 . ? 28.588 -15.849 7.684 1.00 51.37 ? 901 SO4 A O3 1 HETATM 2257 O O4 . SO4 M 5 . ? 29.563 -14.715 5.755 1.00 40.65 ? 901 SO4 A O4 1 HETATM 2258 S S . SO4 N 5 . ? 26.105 7.091 -8.002 1.00 21.22 ? 902 SO4 A S 1 HETATM 2259 O O1 . SO4 N 5 . ? 26.683 8.397 -8.386 1.00 38.74 ? 902 SO4 A O1 1 HETATM 2260 O O2 . SO4 N 5 . ? 24.676 7.040 -8.207 1.00 27.70 ? 902 SO4 A O2 1 HETATM 2261 O O3 . SO4 N 5 . ? 26.902 6.096 -8.771 1.00 19.03 ? 902 SO4 A O3 1 HETATM 2262 O O4 . SO4 N 5 . ? 26.477 7.057 -6.590 1.00 24.91 ? 902 SO4 A O4 1 HETATM 2263 S S A SO4 O 5 . ? 54.120 31.693 9.778 0.25 20.31 ? 903 SO4 A S 1 HETATM 2264 S S B SO4 O 5 . ? 56.039 31.532 9.503 0.25 7.63 ? 903 SO4 A S 1 HETATM 2265 O O1 A SO4 O 5 . ? 53.075 31.532 8.755 0.25 22.57 ? 903 SO4 A O1 1 HETATM 2266 O O1 B SO4 O 5 . ? 55.174 30.408 9.178 0.25 9.01 ? 903 SO4 A O1 1 HETATM 2267 O O2 A SO4 O 5 . ? 53.481 31.886 11.081 0.25 15.29 ? 903 SO4 A O2 1 HETATM 2268 O O2 B SO4 O 5 . ? 55.172 32.652 9.840 0.25 8.68 ? 903 SO4 A O2 1 HETATM 2269 O O3 A SO4 O 5 . ? 54.959 30.498 9.823 0.25 20.18 ? 903 SO4 A O3 1 HETATM 2270 O O3 B SO4 O 5 . ? 56.885 31.217 10.651 0.25 8.34 ? 903 SO4 A O3 1 HETATM 2271 O O4 A SO4 O 5 . ? 54.937 32.852 9.437 0.25 21.41 ? 903 SO4 A O4 1 HETATM 2272 O O4 B SO4 O 5 . ? 56.870 31.852 8.346 0.25 8.40 ? 903 SO4 A O4 1 HETATM 2273 S S . SO4 P 5 . ? 28.062 -3.429 11.835 1.00 30.70 ? 904 SO4 A S 1 HETATM 2274 O O1 . SO4 P 5 . ? 29.491 -3.143 12.272 1.00 32.39 ? 904 SO4 A O1 1 HETATM 2275 O O2 . SO4 P 5 . ? 27.493 -2.192 11.187 1.00 25.52 ? 904 SO4 A O2 1 HETATM 2276 O O3 . SO4 P 5 . ? 28.112 -4.655 10.943 1.00 30.40 ? 904 SO4 A O3 1 HETATM 2277 O O4 . SO4 P 5 . ? 27.221 -3.812 13.019 1.00 32.44 ? 904 SO4 A O4 1 HETATM 2278 S S . SO4 Q 5 . ? 31.902 0.402 16.386 1.00 19.30 ? 905 SO4 A S 1 HETATM 2279 O O1 . SO4 Q 5 . ? 33.338 0.320 16.581 1.00 16.68 ? 905 SO4 A O1 1 HETATM 2280 O O2 . SO4 Q 5 . ? 31.541 1.461 15.389 1.00 19.10 ? 905 SO4 A O2 1 HETATM 2281 O O3 . SO4 Q 5 . ? 31.306 -0.895 15.854 1.00 22.61 ? 905 SO4 A O3 1 HETATM 2282 O O4 . SO4 Q 5 . ? 31.271 0.632 17.726 1.00 23.98 ? 905 SO4 A O4 1 HETATM 2283 S S . SO4 R 5 . ? 37.105 -20.530 -2.708 1.00 58.85 ? 906 SO4 A S 1 HETATM 2284 O O1 . SO4 R 5 . ? 37.083 -19.940 -4.054 1.00 59.20 ? 906 SO4 A O1 1 HETATM 2285 O O2 . SO4 R 5 . ? 36.456 -21.835 -2.802 1.00 64.76 ? 906 SO4 A O2 1 HETATM 2286 O O3 . SO4 R 5 . ? 38.476 -20.707 -2.232 1.00 64.55 ? 906 SO4 A O3 1 HETATM 2287 O O4 . SO4 R 5 . ? 36.403 -19.712 -1.716 1.00 60.42 ? 906 SO4 A O4 1 HETATM 2288 C C . ACT S 6 . ? 31.852 -9.807 -7.356 1.00 21.47 ? 910 ACT A C 1 HETATM 2289 O O . ACT S 6 . ? 32.820 -10.345 -6.672 1.00 29.14 ? 910 ACT A O 1 HETATM 2290 O OXT . ACT S 6 . ? 31.081 -10.484 -8.100 1.00 25.46 ? 910 ACT A OXT 1 HETATM 2291 C CH3 . ACT S 6 . ? 31.591 -8.406 -7.310 1.00 9.86 ? 910 ACT A CH3 1 HETATM 2292 O O . HOH T 7 . ? 53.948 5.274 3.572 1.00 11.70 ? 911 HOH A O 1 HETATM 2293 O O . HOH T 7 . ? 57.712 21.436 12.365 1.00 9.39 ? 912 HOH A O 1 HETATM 2294 O O . HOH T 7 . ? 56.833 6.152 -2.153 1.00 10.49 ? 913 HOH A O 1 HETATM 2295 O O . HOH T 7 . ? 37.234 13.093 5.244 1.00 12.13 ? 914 HOH A O 1 HETATM 2296 O O . HOH T 7 . ? 66.746 15.547 11.437 1.00 11.18 ? 915 HOH A O 1 HETATM 2297 O O . HOH T 7 . ? 64.961 10.333 8.183 1.00 9.75 ? 916 HOH A O 1 HETATM 2298 O O . HOH T 7 . ? 67.636 4.111 3.114 1.00 13.95 ? 917 HOH A O 1 HETATM 2299 O O . HOH T 7 . ? 44.770 6.439 -0.665 1.00 9.51 ? 918 HOH A O 1 HETATM 2300 O O . HOH T 7 . ? 64.804 21.448 0.865 1.00 11.47 ? 919 HOH A O 1 HETATM 2301 O O . HOH T 7 . ? 53.457 14.340 1.169 1.00 10.20 ? 920 HOH A O 1 HETATM 2302 O O . HOH T 7 . ? 70.615 2.148 4.859 1.00 12.78 ? 921 HOH A O 1 HETATM 2303 O O . HOH T 7 . ? 43.796 12.199 7.310 1.00 11.81 ? 922 HOH A O 1 HETATM 2304 O O . HOH T 7 . ? 36.231 4.283 6.466 1.00 10.00 ? 923 HOH A O 1 HETATM 2305 O O . HOH T 7 . ? 41.035 12.875 7.044 1.00 10.96 ? 924 HOH A O 1 HETATM 2306 O O . HOH T 7 . ? 53.407 23.666 6.854 1.00 15.89 ? 925 HOH A O 1 HETATM 2307 O O . HOH T 7 . ? 37.554 -9.010 3.510 1.00 12.15 ? 926 HOH A O 1 HETATM 2308 O O . HOH T 7 . ? 56.247 31.171 18.928 1.00 14.63 ? 927 HOH A O 1 HETATM 2309 O O . HOH T 7 . ? 36.194 -2.056 17.977 1.00 15.41 ? 928 HOH A O 1 HETATM 2310 O O . HOH T 7 . ? 56.543 24.274 15.686 1.00 11.89 ? 929 HOH A O 1 HETATM 2311 O O . HOH T 7 . ? 51.024 11.128 6.986 1.00 15.23 ? 930 HOH A O 1 HETATM 2312 O O . HOH T 7 . ? 51.404 0.985 -1.756 1.00 15.89 ? 931 HOH A O 1 HETATM 2313 O O . HOH T 7 . ? 58.111 25.088 0.740 1.00 13.42 ? 932 HOH A O 1 HETATM 2314 O O . HOH T 7 . ? 45.554 13.545 -4.126 1.00 18.63 ? 933 HOH A O 1 HETATM 2315 O O . HOH T 7 . ? 29.559 -1.804 9.403 1.00 13.65 ? 934 HOH A O 1 HETATM 2316 O O . HOH T 7 . ? 47.528 0.182 -0.762 1.00 9.96 ? 935 HOH A O 1 HETATM 2317 O O . HOH T 7 . ? 67.880 23.388 7.046 1.00 14.39 ? 936 HOH A O 1 HETATM 2318 O O . HOH T 7 . ? 54.162 25.775 14.992 1.00 11.50 ? 937 HOH A O 1 HETATM 2319 O O . HOH T 7 . ? 32.029 -3.169 10.534 1.00 16.05 ? 938 HOH A O 1 HETATM 2320 O O . HOH T 7 . ? 30.316 11.385 5.305 1.00 15.39 ? 939 HOH A O 1 HETATM 2321 O O . HOH T 7 . ? 43.804 10.493 11.790 1.00 19.67 ? 940 HOH A O 1 HETATM 2322 O O . HOH T 7 . ? 44.690 -13.123 -0.906 1.00 19.71 ? 941 HOH A O 1 HETATM 2323 O O . HOH T 7 . ? 52.901 22.595 -7.359 1.00 21.34 ? 942 HOH A O 1 HETATM 2324 O O . HOH T 7 . ? 65.771 23.704 -0.333 1.00 16.69 ? 943 HOH A O 1 HETATM 2325 O O . HOH T 7 . ? 69.968 22.137 5.482 1.00 14.38 ? 944 HOH A O 1 HETATM 2326 O O . HOH T 7 . ? 37.539 13.705 7.967 1.00 15.87 ? 945 HOH A O 1 HETATM 2327 O O . HOH T 7 . ? 63.998 24.509 18.199 1.00 12.58 ? 946 HOH A O 1 HETATM 2328 O O . HOH T 7 . ? 38.055 -1.239 -13.706 1.00 16.69 ? 947 HOH A O 1 HETATM 2329 O O . HOH T 7 . ? 70.552 16.733 16.723 1.00 18.80 ? 948 HOH A O 1 HETATM 2330 O O . HOH T 7 . ? 47.476 11.763 -2.308 1.00 19.02 ? 949 HOH A O 1 HETATM 2331 O O . HOH T 7 . ? 51.971 -4.986 -6.889 1.00 18.73 ? 950 HOH A O 1 HETATM 2332 O O . HOH T 7 . ? 37.178 11.186 14.580 1.00 19.51 ? 951 HOH A O 1 HETATM 2333 O O . HOH T 7 . ? 41.003 18.538 10.121 1.00 16.30 ? 952 HOH A O 1 HETATM 2334 O O . HOH T 7 . ? 25.121 5.218 4.764 1.00 16.45 ? 953 HOH A O 1 HETATM 2335 O O . HOH T 7 . ? 31.227 8.880 -9.610 0.50 12.42 ? 954 HOH A O 1 HETATM 2336 O O . HOH T 7 . ? 57.415 28.472 20.920 1.00 17.42 ? 955 HOH A O 1 HETATM 2337 O O . HOH T 7 . ? 48.505 25.574 10.488 1.00 17.44 ? 956 HOH A O 1 HETATM 2338 O O . HOH T 7 . ? 37.907 3.529 -10.542 1.00 21.32 ? 957 HOH A O 1 HETATM 2339 O O . HOH T 7 . ? 52.853 29.133 -2.176 1.00 21.34 ? 958 HOH A O 1 HETATM 2340 O O . HOH T 7 . ? 68.796 24.245 17.942 1.00 18.42 ? 959 HOH A O 1 HETATM 2341 O O . HOH T 7 . ? 43.191 18.014 11.679 1.00 18.15 ? 960 HOH A O 1 HETATM 2342 O O . HOH T 7 . ? 44.053 24.366 6.239 1.00 18.96 ? 961 HOH A O 1 HETATM 2343 O O . HOH T 7 . ? 52.554 24.777 20.753 1.00 19.05 ? 962 HOH A O 1 HETATM 2344 O O . HOH T 7 . ? 29.137 -11.880 4.741 1.00 16.77 ? 963 HOH A O 1 HETATM 2345 O O . HOH T 7 . ? 66.442 25.667 18.046 1.00 17.27 ? 964 HOH A O 1 HETATM 2346 O O . HOH T 7 . ? 43.830 24.083 3.542 1.00 16.35 ? 965 HOH A O 1 HETATM 2347 O O . HOH T 7 . ? 25.657 1.385 -4.779 1.00 19.32 ? 966 HOH A O 1 HETATM 2348 O O . HOH T 7 . ? 30.176 -4.374 -9.227 1.00 16.95 ? 967 HOH A O 1 HETATM 2349 O O . HOH T 7 . ? 60.076 7.855 12.382 1.00 17.70 ? 968 HOH A O 1 HETATM 2350 O O . HOH T 7 . ? 43.439 15.139 14.777 1.00 16.84 ? 969 HOH A O 1 HETATM 2351 O O . HOH T 7 . ? 73.914 10.753 7.428 1.00 23.03 ? 970 HOH A O 1 HETATM 2352 O O . HOH T 7 . ? 66.855 -0.678 11.420 1.00 25.26 ? 971 HOH A O 1 HETATM 2353 O O . HOH T 7 . ? 53.182 9.265 6.756 1.00 15.49 ? 972 HOH A O 1 HETATM 2354 O O . HOH T 7 . ? 35.593 -0.644 -7.086 1.00 18.13 ? 973 HOH A O 1 HETATM 2355 O O . HOH T 7 . ? 42.231 4.561 16.422 1.00 25.45 ? 974 HOH A O 1 HETATM 2356 O O . HOH T 7 . ? 24.839 3.881 8.849 1.00 17.36 ? 975 HOH A O 1 HETATM 2357 O O . HOH T 7 . ? 64.235 2.089 3.532 1.00 20.69 ? 976 HOH A O 1 HETATM 2358 O O . HOH T 7 . ? 38.733 6.045 19.539 1.00 15.63 ? 977 HOH A O 1 HETATM 2359 O O . HOH T 7 . ? 68.446 7.179 9.636 1.00 17.19 ? 978 HOH A O 1 HETATM 2360 O O . HOH T 7 . ? 70.769 7.541 -6.002 1.00 25.33 ? 979 HOH A O 1 HETATM 2361 O O . HOH T 7 . ? 45.219 23.989 -0.479 1.00 20.59 ? 980 HOH A O 1 HETATM 2362 O O . HOH T 7 . ? 30.633 -5.568 9.732 1.00 16.59 ? 981 HOH A O 1 HETATM 2363 O O . HOH T 7 . ? 49.021 7.916 8.997 1.00 22.27 ? 982 HOH A O 1 HETATM 2364 O O . HOH T 7 . ? 38.869 -8.237 -12.845 1.00 19.90 ? 983 HOH A O 1 HETATM 2365 O O . HOH T 7 . ? 51.038 25.404 7.402 1.00 19.45 ? 984 HOH A O 1 HETATM 2366 O O . HOH T 7 . ? 35.592 15.605 -4.780 1.00 26.92 ? 985 HOH A O 1 HETATM 2367 O O . HOH T 7 . ? 41.764 -8.106 9.141 1.00 18.16 ? 986 HOH A O 1 HETATM 2368 O O . HOH T 7 . ? 35.996 1.552 -11.843 1.00 19.71 ? 987 HOH A O 1 HETATM 2369 O O . HOH T 7 . ? 33.874 10.714 -8.822 1.00 23.06 ? 988 HOH A O 1 HETATM 2370 O O . HOH T 7 . ? 49.858 1.164 -10.361 1.00 21.25 ? 989 HOH A O 1 HETATM 2371 O O . HOH T 7 . ? 53.712 6.815 8.298 1.00 21.41 ? 990 HOH A O 1 HETATM 2372 O O . HOH T 7 . ? 29.173 11.075 10.531 1.00 25.34 ? 991 HOH A O 1 HETATM 2373 O O . HOH T 7 . ? 66.831 8.107 11.645 1.00 18.26 ? 992 HOH A O 1 HETATM 2374 O O . HOH T 7 . ? 34.761 9.929 14.267 1.00 24.96 ? 993 HOH A O 1 HETATM 2375 O O . HOH T 7 . ? 54.201 27.006 3.307 1.00 19.10 ? 994 HOH A O 1 HETATM 2376 O O . HOH T 7 . ? 57.347 -2.653 0.914 1.00 23.17 ? 995 HOH A O 1 HETATM 2377 O O . HOH T 7 . ? 40.829 19.806 5.574 1.00 22.00 ? 996 HOH A O 1 HETATM 2378 O O . HOH T 7 . ? 73.632 11.347 -5.526 1.00 23.67 ? 997 HOH A O 1 HETATM 2379 O O . HOH T 7 . ? 34.660 -13.605 -5.152 1.00 21.87 ? 998 HOH A O 1 HETATM 2380 O O . HOH T 7 . ? 68.918 14.642 15.947 1.00 22.55 ? 999 HOH A O 1 HETATM 2381 O O . HOH T 7 . ? 64.950 31.487 18.328 1.00 26.44 ? 1000 HOH A O 1 HETATM 2382 O O . HOH T 7 . ? 74.422 10.981 -2.952 1.00 20.64 ? 1001 HOH A O 1 HETATM 2383 O O . HOH T 7 . ? 35.468 7.310 14.688 1.00 26.52 ? 1002 HOH A O 1 HETATM 2384 O O . HOH T 7 . ? 36.527 -12.282 -6.790 1.00 22.43 ? 1003 HOH A O 1 HETATM 2385 O O . HOH T 7 . ? 67.991 1.624 4.672 1.00 23.25 ? 1004 HOH A O 1 HETATM 2386 O O . HOH T 7 . ? 28.722 4.502 13.872 1.00 20.39 ? 1005 HOH A O 1 HETATM 2387 O O . HOH T 7 . ? 31.591 8.143 16.657 1.00 18.76 ? 1006 HOH A O 1 HETATM 2388 O O . HOH T 7 . ? 48.446 -7.275 8.407 1.00 24.75 ? 1007 HOH A O 1 HETATM 2389 O O . HOH T 7 . ? 54.036 18.138 21.690 1.00 22.58 ? 1008 HOH A O 1 HETATM 2390 O O . HOH T 7 . ? 47.202 10.266 9.705 1.00 20.17 ? 1009 HOH A O 1 HETATM 2391 O O . HOH T 7 . ? 66.374 17.823 -6.709 1.00 25.40 ? 1010 HOH A O 1 HETATM 2392 O O . HOH T 7 . ? 49.411 13.618 -2.828 1.00 20.81 ? 1011 HOH A O 1 HETATM 2393 O O . HOH T 7 . ? 64.085 10.281 -10.104 1.00 19.75 ? 1012 HOH A O 1 HETATM 2394 O O . HOH T 7 . ? 39.307 15.109 -2.806 1.00 26.66 ? 1013 HOH A O 1 HETATM 2395 O O . HOH T 7 . ? 40.255 15.669 6.318 1.00 24.36 ? 1014 HOH A O 1 HETATM 2396 O O . HOH T 7 . ? 53.611 -1.846 0.710 1.00 25.32 ? 1015 HOH A O 1 HETATM 2397 O O . HOH T 7 . ? 52.383 30.281 22.008 1.00 21.88 ? 1016 HOH A O 1 HETATM 2398 O O . HOH T 7 . ? 59.618 30.650 10.998 1.00 21.68 ? 1017 HOH A O 1 HETATM 2399 O O . HOH T 7 . ? 45.691 14.559 -6.424 1.00 26.29 ? 1018 HOH A O 1 HETATM 2400 O O . HOH T 7 . ? 23.452 -9.084 -1.939 1.00 21.90 ? 1019 HOH A O 1 HETATM 2401 O O . HOH T 7 . ? 26.456 -5.625 -7.743 1.00 22.72 ? 1020 HOH A O 1 HETATM 2402 O O . HOH T 7 . ? 39.676 8.390 18.080 1.00 26.24 ? 1021 HOH A O 1 HETATM 2403 O O . HOH T 7 . ? 44.874 8.681 13.519 1.00 21.63 ? 1022 HOH A O 1 HETATM 2404 O O . HOH T 7 . ? 64.702 25.417 -2.100 1.00 23.00 ? 1023 HOH A O 1 HETATM 2405 O O . HOH T 7 . ? 63.063 0.000 1.983 0.50 30.14 ? 1024 HOH A O 1 HETATM 2406 O O . HOH T 7 . ? 44.093 25.919 1.454 1.00 35.79 ? 1025 HOH A O 1 HETATM 2407 O O . HOH T 7 . ? 33.698 7.060 12.751 1.00 19.62 ? 1026 HOH A O 1 HETATM 2408 O O . HOH T 7 . ? 54.641 21.011 18.700 1.00 24.45 ? 1027 HOH A O 1 HETATM 2409 O O . HOH T 7 . ? 59.751 9.604 14.517 1.00 23.67 ? 1028 HOH A O 1 HETATM 2410 O O . HOH T 7 . ? 34.812 -5.009 16.487 1.00 24.45 ? 1029 HOH A O 1 HETATM 2411 O O . HOH T 7 . ? 51.511 27.525 5.721 1.00 25.21 ? 1030 HOH A O 1 HETATM 2412 O O . HOH T 7 . ? 47.005 1.872 9.246 1.00 23.42 ? 1031 HOH A O 1 HETATM 2413 O O . HOH T 7 . ? 51.089 26.200 18.827 1.00 21.39 ? 1032 HOH A O 1 HETATM 2414 O O . HOH T 7 . ? 58.433 -4.740 10.306 1.00 28.40 ? 1033 HOH A O 1 HETATM 2415 O O . HOH T 7 . ? 41.048 17.341 4.496 1.00 26.36 ? 1034 HOH A O 1 HETATM 2416 O O . HOH T 7 . ? 73.898 22.890 11.216 1.00 23.87 ? 1035 HOH A O 1 HETATM 2417 O O . HOH T 7 . ? 47.437 26.715 13.750 1.00 24.69 ? 1036 HOH A O 1 HETATM 2418 O O . HOH T 7 . ? 58.561 21.729 19.084 1.00 27.28 ? 1037 HOH A O 1 HETATM 2419 O O . HOH T 7 . ? 24.777 -11.884 0.843 1.00 26.54 ? 1038 HOH A O 1 HETATM 2420 O O . HOH T 7 . ? 24.036 6.102 7.152 1.00 22.59 ? 1039 HOH A O 1 HETATM 2421 O O . HOH T 7 . ? 64.149 14.620 16.817 1.00 26.24 ? 1040 HOH A O 1 HETATM 2422 O O . HOH T 7 . ? 33.758 14.590 6.932 1.00 27.96 ? 1041 HOH A O 1 HETATM 2423 O O . HOH T 7 . ? 22.494 6.906 -6.419 1.00 23.60 ? 1042 HOH A O 1 HETATM 2424 O O . HOH T 7 . ? 65.680 3.337 9.574 1.00 27.38 ? 1043 HOH A O 1 HETATM 2425 O O . HOH T 7 . ? 32.996 14.011 -6.818 1.00 31.76 ? 1044 HOH A O 1 HETATM 2426 O O . HOH T 7 . ? 26.373 -14.161 -2.068 1.00 23.54 ? 1045 HOH A O 1 HETATM 2427 O O . HOH T 7 . ? 44.012 -7.411 7.656 1.00 26.15 ? 1046 HOH A O 1 HETATM 2428 O O . HOH T 7 . ? 34.885 -17.264 1.154 1.00 26.24 ? 1047 HOH A O 1 HETATM 2429 O O . HOH T 7 . ? 47.309 18.917 16.792 1.00 27.28 ? 1048 HOH A O 1 HETATM 2430 O O . HOH T 7 . ? 45.945 28.498 12.555 1.00 29.34 ? 1049 HOH A O 1 HETATM 2431 O O . HOH T 7 . ? 47.392 1.051 6.216 1.00 26.44 ? 1050 HOH A O 1 HETATM 2432 O O . HOH T 7 . ? 73.259 16.288 17.123 1.00 27.03 ? 1051 HOH A O 1 HETATM 2433 O O . HOH T 7 . ? 57.483 10.622 15.495 1.00 23.89 ? 1052 HOH A O 1 HETATM 2434 O O . HOH T 7 . ? 50.290 -4.926 10.011 1.00 27.41 ? 1053 HOH A O 1 HETATM 2435 O O . HOH T 7 . ? 31.496 -7.898 11.031 1.00 29.06 ? 1054 HOH A O 1 HETATM 2436 O O . HOH T 7 . ? 62.249 1.787 7.498 1.00 34.01 ? 1055 HOH A O 1 HETATM 2437 O O . HOH T 7 . ? 38.690 -13.990 12.270 1.00 33.25 ? 1056 HOH A O 1 HETATM 2438 O O . HOH T 7 . ? 68.885 3.784 12.526 1.00 27.20 ? 1057 HOH A O 1 HETATM 2439 O O . HOH T 7 . ? 32.150 -15.961 7.021 1.00 34.40 ? 1058 HOH A O 1 HETATM 2440 O O . HOH T 7 . ? 36.229 13.876 14.533 1.00 29.97 ? 1059 HOH A O 1 HETATM 2441 O O . HOH T 7 . ? 40.013 14.052 -8.917 1.00 31.54 ? 1060 HOH A O 1 HETATM 2442 O O . HOH T 7 . ? 60.891 1.283 1.175 1.00 25.02 ? 1061 HOH A O 1 HETATM 2443 O O . HOH T 7 . ? 53.562 -9.050 -7.109 1.00 28.93 ? 1062 HOH A O 1 HETATM 2444 O O . HOH T 7 . ? 70.645 13.784 -6.957 1.00 24.82 ? 1063 HOH A O 1 HETATM 2445 O O . HOH T 7 . ? 25.603 -12.182 -5.238 1.00 29.66 ? 1064 HOH A O 1 HETATM 2446 O O . HOH T 7 . ? 53.682 14.492 20.505 1.00 28.79 ? 1065 HOH A O 1 HETATM 2447 O O . HOH T 7 . ? 50.278 14.201 -11.792 1.00 38.26 ? 1066 HOH A O 1 HETATM 2448 O O . HOH T 7 . ? 57.598 14.297 -8.067 1.00 35.29 ? 1067 HOH A O 1 HETATM 2449 O O . HOH T 7 . ? 56.803 4.082 -8.472 1.00 25.45 ? 1068 HOH A O 1 HETATM 2450 O O . HOH T 7 . ? 42.699 13.357 -9.161 1.00 32.21 ? 1069 HOH A O 1 HETATM 2451 O O . HOH T 7 . ? 68.642 13.453 -9.741 1.00 32.79 ? 1070 HOH A O 1 HETATM 2452 O O . HOH T 7 . ? 23.634 1.855 4.850 1.00 31.58 ? 1071 HOH A O 1 HETATM 2453 O O . HOH T 7 . ? 55.249 -3.386 -0.378 1.00 36.97 ? 1072 HOH A O 1 HETATM 2454 O O . HOH T 7 . ? 44.476 10.249 9.195 1.00 21.64 ? 1073 HOH A O 1 HETATM 2455 O O . HOH T 7 . ? 45.525 20.843 22.739 1.00 29.77 ? 1074 HOH A O 1 HETATM 2456 O O . HOH T 7 . ? 36.298 -10.211 -12.019 1.00 27.99 ? 1075 HOH A O 1 HETATM 2457 O O . HOH T 7 . ? 51.343 33.068 12.364 1.00 32.99 ? 1076 HOH A O 1 HETATM 2458 O O . HOH T 7 . ? 27.299 11.876 3.536 1.00 24.03 ? 1077 HOH A O 1 HETATM 2459 O O . HOH T 7 . ? 30.358 -10.848 9.030 1.00 31.08 ? 1078 HOH A O 1 HETATM 2460 O O . HOH T 7 . ? 57.887 0.297 2.272 1.00 36.83 ? 1079 HOH A O 1 HETATM 2461 O O . HOH T 7 . ? 33.755 -19.421 -1.850 1.00 35.18 ? 1080 HOH A O 1 HETATM 2462 O O . HOH T 7 . ? 39.592 16.099 2.720 1.00 32.80 ? 1081 HOH A O 1 HETATM 2463 O O . HOH T 7 . ? 43.824 2.030 17.003 1.00 28.42 ? 1082 HOH A O 1 HETATM 2464 O O . HOH T 7 . ? 31.573 14.752 -1.167 1.00 26.42 ? 1083 HOH A O 1 HETATM 2465 O O . HOH T 7 . ? 74.529 25.748 9.952 1.00 32.80 ? 1084 HOH A O 1 HETATM 2466 O O . HOH T 7 . ? 67.320 26.951 0.353 1.00 28.56 ? 1085 HOH A O 1 HETATM 2467 O O . HOH T 7 . ? 61.948 31.144 8.453 1.00 27.37 ? 1086 HOH A O 1 HETATM 2468 O O . HOH T 7 . ? 64.502 28.663 -1.923 1.00 25.73 ? 1087 HOH A O 1 HETATM 2469 O O . HOH T 7 . ? 40.984 -7.709 18.334 1.00 43.63 ? 1088 HOH A O 1 HETATM 2470 O O . HOH T 7 . ? 40.095 -18.548 -3.551 1.00 24.43 ? 1089 HOH A O 1 HETATM 2471 O O . HOH T 7 . ? 28.476 -3.642 15.482 1.00 31.77 ? 1090 HOH A O 1 HETATM 2472 O O . HOH T 7 . ? 51.513 1.323 -12.431 1.00 33.48 ? 1091 HOH A O 1 HETATM 2473 O O . HOH T 7 . ? 43.011 22.482 -1.223 1.00 36.61 ? 1092 HOH A O 1 HETATM 2474 O O . HOH T 7 . ? 25.584 9.741 4.904 1.00 26.80 ? 1093 HOH A O 1 HETATM 2475 O O . HOH T 7 . ? 59.082 22.911 -8.398 1.00 27.53 ? 1094 HOH A O 1 HETATM 2476 O O . HOH T 7 . ? 46.103 16.523 15.855 1.00 25.57 ? 1095 HOH A O 1 HETATM 2477 O O . HOH T 7 . ? 31.232 4.192 15.639 1.00 33.86 ? 1096 HOH A O 1 HETATM 2478 O O . HOH T 7 . ? 46.202 28.832 2.810 1.00 35.44 ? 1097 HOH A O 1 HETATM 2479 O O . HOH T 7 . ? 46.389 27.810 9.765 1.00 28.45 ? 1098 HOH A O 1 HETATM 2480 O O . HOH T 7 . ? 46.349 4.364 13.314 1.00 39.04 ? 1099 HOH A O 1 HETATM 2481 O O . HOH T 7 . ? 61.549 23.211 -6.953 1.00 32.84 ? 1100 HOH A O 1 HETATM 2482 O O . HOH T 7 . ? 39.367 17.070 8.379 1.00 28.17 ? 1101 HOH A O 1 HETATM 2483 O O . HOH T 7 . ? 45.114 20.302 15.686 1.00 27.49 ? 1102 HOH A O 1 HETATM 2484 O O . HOH T 7 . ? 69.468 17.052 19.368 1.00 27.61 ? 1103 HOH A O 1 HETATM 2485 O O . HOH T 7 . ? 34.731 -16.114 5.081 1.00 27.52 ? 1104 HOH A O 1 HETATM 2486 O O . HOH T 7 . ? 67.989 27.305 8.983 1.00 30.14 ? 1105 HOH A O 1 HETATM 2487 O O . HOH T 7 . ? 45.989 10.421 -9.817 1.00 29.23 ? 1106 HOH A O 1 HETATM 2488 O O . HOH T 7 . ? 56.057 16.090 24.645 1.00 36.31 ? 1107 HOH A O 1 HETATM 2489 O O . HOH T 7 . ? 23.158 9.221 -4.481 1.00 36.76 ? 1108 HOH A O 1 HETATM 2490 O O . HOH T 7 . ? 74.494 14.440 12.032 1.00 26.57 ? 1109 HOH A O 1 HETATM 2491 O O . HOH T 7 . ? 65.097 0.157 9.363 1.00 39.96 ? 1110 HOH A O 1 HETATM 2492 O O . HOH T 7 . ? 40.973 21.010 13.668 1.00 30.16 ? 1111 HOH A O 1 HETATM 2493 O O . HOH T 7 . ? 37.087 15.389 3.784 1.00 23.78 ? 1112 HOH A O 1 HETATM 2494 O O . HOH T 7 . ? 45.342 -1.052 -14.687 1.00 48.66 ? 1113 HOH A O 1 HETATM 2495 O O . HOH T 7 . ? 30.025 14.957 1.115 1.00 30.43 ? 1114 HOH A O 1 HETATM 2496 O O . HOH T 7 . ? 61.874 26.831 20.369 1.00 30.05 ? 1115 HOH A O 1 HETATM 2497 O O . HOH T 7 . ? 48.934 24.988 17.536 1.00 27.12 ? 1116 HOH A O 1 HETATM 2498 O O . HOH T 7 . ? 66.343 29.375 0.137 1.00 31.31 ? 1117 HOH A O 1 HETATM 2499 O O . HOH T 7 . ? 54.365 5.088 10.955 1.00 36.98 ? 1118 HOH A O 1 HETATM 2500 O O . HOH T 7 . ? 40.862 -12.597 -11.509 1.00 30.16 ? 1119 HOH A O 1 HETATM 2501 O O . HOH T 7 . ? 46.194 18.969 -4.435 1.00 31.66 ? 1120 HOH A O 1 HETATM 2502 O O . HOH T 7 . ? 21.532 4.533 -5.700 1.00 29.09 ? 1121 HOH A O 1 HETATM 2503 O O . HOH T 7 . ? 66.422 32.022 11.149 1.00 25.31 ? 1122 HOH A O 1 HETATM 2504 O O . HOH T 7 . ? 75.246 12.881 8.942 1.00 31.07 ? 1123 HOH A O 1 HETATM 2505 O O . HOH T 7 . ? 51.116 28.033 2.792 1.00 34.37 ? 1124 HOH A O 1 HETATM 2506 O O . HOH T 7 . ? 45.836 18.741 19.979 1.00 33.00 ? 1125 HOH A O 1 HETATM 2507 O O . HOH T 7 . ? 61.739 30.132 13.723 1.00 33.19 ? 1126 HOH A O 1 HETATM 2508 O O . HOH T 7 . ? 53.179 -6.609 -3.923 1.00 31.23 ? 1127 HOH A O 1 HETATM 2509 O O . HOH T 7 . ? 47.618 5.839 -8.730 1.00 29.70 ? 1128 HOH A O 1 HETATM 2510 O O . HOH T 7 . ? 63.897 22.425 -6.061 1.00 34.49 ? 1129 HOH A O 1 HETATM 2511 O O . HOH T 7 . ? 48.742 3.590 11.348 1.00 36.63 ? 1130 HOH A O 1 HETATM 2512 O O . HOH T 7 . ? 23.920 3.343 -6.061 1.00 31.06 ? 1131 HOH A O 1 HETATM 2513 O O . HOH T 7 . ? 35.904 16.438 0.977 1.00 32.89 ? 1132 HOH A O 1 HETATM 2514 O O . HOH T 7 . ? 35.609 15.515 -1.333 1.00 35.11 ? 1133 HOH A O 1 HETATM 2515 O O . HOH T 7 . ? 25.280 -2.154 9.842 1.00 28.86 ? 1134 HOH A O 1 HETATM 2516 O O . HOH T 7 . ? 51.061 -13.174 -7.059 1.00 30.09 ? 1135 HOH A O 1 HETATM 2517 O O . HOH T 7 . ? 33.161 13.159 -9.896 1.00 36.51 ? 1136 HOH A O 1 HETATM 2518 O O . HOH T 7 . ? 25.412 -0.670 14.528 1.00 34.21 ? 1137 HOH A O 1 HETATM 2519 O O . HOH T 7 . ? 43.688 1.428 14.462 1.00 28.56 ? 1138 HOH A O 1 HETATM 2520 O O . HOH T 7 . ? 21.231 5.693 -3.085 1.00 37.85 ? 1139 HOH A O 1 HETATM 2521 O O . HOH T 7 . ? 46.551 -8.165 -14.622 1.00 34.94 ? 1140 HOH A O 1 HETATM 2522 O O . HOH T 7 . ? 43.277 27.445 12.742 1.00 34.20 ? 1141 HOH A O 1 HETATM 2523 O O . HOH T 7 . ? 31.165 12.548 14.538 1.00 32.63 ? 1142 HOH A O 1 HETATM 2524 O O . HOH T 7 . ? 78.148 21.934 4.550 1.00 34.19 ? 1143 HOH A O 1 HETATM 2525 O O . HOH T 7 . ? 48.389 12.797 -10.384 1.00 31.72 ? 1144 HOH A O 1 HETATM 2526 O O . HOH T 7 . ? 32.407 6.253 14.883 1.00 29.36 ? 1145 HOH A O 1 HETATM 2527 O O . HOH T 7 . ? 35.467 -7.097 19.197 1.00 34.42 ? 1146 HOH A O 1 HETATM 2528 O O . HOH T 7 . ? 44.171 3.698 -12.600 1.00 36.10 ? 1147 HOH A O 1 HETATM 2529 O O . HOH T 7 . ? 43.102 19.529 13.894 1.00 30.20 ? 1148 HOH A O 1 HETATM 2530 O O . HOH T 7 . ? 22.460 -9.051 1.375 1.00 40.70 ? 1149 HOH A O 1 HETATM 2531 O O . HOH T 7 . ? 28.636 7.840 -5.027 1.00 27.35 ? 1150 HOH A O 1 HETATM 2532 O O . HOH T 7 . ? 31.623 -5.524 13.571 1.00 33.54 ? 1151 HOH A O 1 HETATM 2533 O O . HOH T 7 . ? 22.510 -1.403 3.282 1.00 39.55 ? 1152 HOH A O 1 HETATM 2534 O O . HOH T 7 . ? 68.572 26.033 -2.031 1.00 37.14 ? 1153 HOH A O 1 HETATM 2535 O O . HOH T 7 . ? 31.813 -3.351 16.063 1.00 34.63 ? 1154 HOH A O 1 HETATM 2536 O O . HOH T 7 . ? 61.466 20.878 -10.894 1.00 40.73 ? 1155 HOH A O 1 HETATM 2537 O O . HOH T 7 . ? 68.105 5.392 14.506 1.00 34.79 ? 1156 HOH A O 1 HETATM 2538 O O . HOH T 7 . ? 36.541 16.615 15.570 1.00 38.55 ? 1157 HOH A O 1 HETATM 2539 O O . HOH T 7 . ? 49.833 -1.352 9.671 1.00 32.41 ? 1158 HOH A O 1 HETATM 2540 O O . HOH T 7 . ? 69.015 28.454 15.179 1.00 39.18 ? 1159 HOH A O 1 HETATM 2541 O O . HOH T 7 . ? 68.314 28.972 18.826 1.00 40.90 ? 1160 HOH A O 1 HETATM 2542 O O . HOH T 7 . ? 41.587 22.512 3.191 1.00 35.24 ? 1161 HOH A O 1 HETATM 2543 O O . HOH T 7 . ? 45.670 -15.510 0.034 1.00 37.90 ? 1162 HOH A O 1 HETATM 2544 O O . HOH T 7 . ? 38.933 -14.365 -7.320 1.00 35.64 ? 1163 HOH A O 1 HETATM 2545 O O . HOH T 7 . ? 69.682 28.483 10.778 1.00 36.96 ? 1164 HOH A O 1 HETATM 2546 O O . HOH T 7 . ? 24.463 1.724 7.256 1.00 38.02 ? 1165 HOH A O 1 HETATM 2547 O O . HOH T 7 . ? 49.968 28.196 20.432 1.00 33.63 ? 1166 HOH A O 1 HETATM 2548 O O . HOH T 7 . ? 24.632 -4.106 13.619 1.00 35.58 ? 1167 HOH A O 1 HETATM 2549 O O . HOH T 7 . ? 23.121 -9.170 4.430 1.00 27.95 ? 1168 HOH A O 1 HETATM 2550 O O . HOH T 7 . ? 67.340 2.412 -6.615 1.00 38.80 ? 1169 HOH A O 1 HETATM 2551 O O . HOH T 7 . ? 46.838 24.231 -2.684 1.00 33.17 ? 1170 HOH A O 1 HETATM 2552 O O . HOH T 7 . ? 25.190 11.834 1.374 1.00 35.94 ? 1171 HOH A O 1 HETATM 2553 O O . HOH T 7 . ? 76.118 16.182 14.491 1.00 40.21 ? 1172 HOH A O 1 HETATM 2554 O O . HOH T 7 . ? 50.936 7.929 -9.005 1.00 25.11 ? 1173 HOH A O 1 HETATM 2555 O O . HOH T 7 . ? 54.393 -4.722 -2.658 1.00 39.77 ? 1174 HOH A O 1 HETATM 2556 O O . HOH T 7 . ? 68.870 30.968 -0.744 1.00 44.00 ? 1175 HOH A O 1 HETATM 2557 O O . HOH T 7 . ? 47.323 -0.265 10.724 1.00 30.51 ? 1176 HOH A O 1 HETATM 2558 O O . HOH T 7 . ? 68.466 29.311 12.898 1.00 41.44 ? 1177 HOH A O 1 HETATM 2559 O O . HOH T 7 . ? 78.039 16.334 -1.618 1.00 48.83 ? 1178 HOH A O 1 HETATM 2560 O O . HOH T 7 . ? 52.929 26.143 -9.119 1.00 31.44 ? 1179 HOH A O 1 HETATM 2561 O O . HOH T 7 . ? 38.630 16.653 -4.934 1.00 37.26 ? 1180 HOH A O 1 HETATM 2562 O O . HOH T 7 . ? 52.059 3.535 10.815 1.00 42.38 ? 1181 HOH A O 1 HETATM 2563 O O . HOH T 7 . ? 44.467 25.094 20.283 1.00 46.17 ? 1182 HOH A O 1 HETATM 2564 O O . HOH T 7 . ? 61.657 1.232 5.388 1.00 33.55 ? 1183 HOH A O 1 HETATM 2565 O O . HOH T 7 . ? 49.446 -10.388 -9.684 1.00 39.46 ? 1184 HOH A O 1 HETATM 2566 O O . HOH T 7 . ? 56.501 9.763 -10.391 1.00 35.99 ? 1185 HOH A O 1 HETATM 2567 O O . HOH T 7 . ? 54.047 12.153 18.543 1.00 40.72 ? 1186 HOH A O 1 HETATM 2568 O O . HOH T 7 . ? 24.700 -7.020 5.130 1.00 32.36 ? 1187 HOH A O 1 HETATM 2569 O O . HOH T 7 . ? 31.356 15.710 5.322 1.00 36.69 ? 1188 HOH A O 1 HETATM 2570 O O . HOH T 7 . ? 74.247 25.027 13.052 1.00 41.34 ? 1189 HOH A O 1 HETATM 2571 O O . HOH T 7 . ? 57.446 1.465 -8.723 1.00 40.28 ? 1190 HOH A O 1 HETATM 2572 O O . HOH T 7 . ? 66.400 15.023 17.253 1.00 32.07 ? 1191 HOH A O 1 HETATM 2573 O O . HOH T 7 . ? 50.658 1.201 9.172 1.00 37.60 ? 1192 HOH A O 1 HETATM 2574 O O . HOH T 7 . ? 67.480 3.760 -3.928 1.00 30.65 ? 1193 HOH A O 1 HETATM 2575 O O . HOH T 7 . ? 41.725 -8.849 14.263 1.00 38.28 ? 1194 HOH A O 1 HETATM 2576 O O . HOH T 7 . ? 29.788 13.863 3.712 1.00 33.60 ? 1195 HOH A O 1 HETATM 2577 O O . HOH T 7 . ? 65.137 16.736 23.320 1.00 51.14 ? 1196 HOH A O 1 HETATM 2578 O O . HOH T 7 . ? 38.169 -14.087 -10.176 1.00 38.96 ? 1197 HOH A O 1 HETATM 2579 O O . HOH T 7 . ? 32.933 11.871 11.962 1.00 28.49 ? 1198 HOH A O 1 HETATM 2580 O O . HOH T 7 . ? 42.608 18.255 1.617 1.00 32.83 ? 1199 HOH A O 1 HETATM 2581 O O . HOH T 7 . ? 45.100 -2.648 10.933 1.00 36.82 ? 1200 HOH A O 1 HETATM 2582 O O . HOH T 7 . ? 74.262 18.466 -5.926 1.00 45.26 ? 1201 HOH A O 1 HETATM 2583 O O . HOH T 7 . ? 51.393 -7.872 -8.146 1.00 38.01 ? 1202 HOH A O 1 HETATM 2584 O O . HOH T 7 . ? 53.310 7.582 -10.754 1.00 35.29 ? 1203 HOH A O 1 HETATM 2585 O O . HOH T 7 . ? 35.103 27.492 14.188 1.00 39.22 ? 1204 HOH A O 1 HETATM 2586 O O . HOH T 7 . ? 24.744 11.238 -1.003 1.00 35.86 ? 1205 HOH A O 1 HETATM 2587 O O . HOH T 7 . ? 68.405 16.993 22.705 1.00 43.28 ? 1206 HOH A O 1 HETATM 2588 O O . HOH T 7 . ? 35.192 -11.912 -9.240 1.00 36.36 ? 1207 HOH A O 1 HETATM 2589 O O . HOH T 7 . ? 47.452 -9.854 -11.355 1.00 44.51 ? 1208 HOH A O 1 HETATM 2590 O O . HOH T 7 . ? 44.687 17.661 -2.305 1.00 27.83 ? 1209 HOH A O 1 HETATM 2591 O O . HOH T 7 . ? 50.204 -6.579 -13.008 1.00 33.01 ? 1210 HOH A O 1 HETATM 2592 O O . HOH T 7 . ? 37.295 -15.928 6.148 1.00 28.92 ? 1211 HOH A O 1 HETATM 2593 O O . HOH T 7 . ? 59.177 20.540 -9.521 1.00 38.12 ? 1212 HOH A O 1 HETATM 2594 O O . HOH T 7 . ? 46.843 27.309 19.958 1.00 38.09 ? 1213 HOH A O 1 HETATM 2595 O O . HOH T 7 . ? 22.391 -21.155 0.651 1.00 44.23 ? 1214 HOH A O 1 HETATM 2596 O O . HOH T 7 . ? 30.666 13.063 8.174 1.00 38.29 ? 1215 HOH A O 1 HETATM 2597 O O . HOH T 7 . ? 78.559 20.278 6.910 1.00 35.66 ? 1216 HOH A O 1 HETATM 2598 O O . HOH T 7 . ? 36.209 -13.903 10.878 1.00 36.55 ? 1217 HOH A O 1 HETATM 2599 O O . HOH T 7 . ? 54.839 -2.137 -9.664 1.00 34.81 ? 1218 HOH A O 1 HETATM 2600 O O . HOH T 7 . ? 76.985 15.423 8.204 1.00 32.73 ? 1219 HOH A O 1 HETATM 2601 O O . HOH T 7 . ? 27.856 15.672 -5.721 1.00 43.22 ? 1220 HOH A O 1 HETATM 2602 O O . HOH T 7 . ? 21.437 -2.191 0.585 1.00 38.99 ? 1221 HOH A O 1 HETATM 2603 O O . HOH T 7 . ? 48.739 27.599 16.097 1.00 37.82 ? 1222 HOH A O 1 HETATM 2604 O O . HOH T 7 . ? 63.602 15.410 19.385 1.00 29.49 ? 1223 HOH A O 1 HETATM 2605 O O . HOH T 7 . ? 50.568 28.474 -0.537 1.00 37.00 ? 1224 HOH A O 1 HETATM 2606 O O . HOH T 7 . ? 47.800 8.913 11.838 1.00 37.37 ? 1225 HOH A O 1 HETATM 2607 O O . HOH T 7 . ? 42.968 22.939 20.205 1.00 49.26 ? 1226 HOH A O 1 HETATM 2608 O O . HOH T 7 . ? 28.093 11.026 8.076 1.00 39.76 ? 1227 HOH A O 1 HETATM 2609 O O . HOH T 7 . ? 57.460 18.064 -10.314 1.00 41.72 ? 1228 HOH A O 1 HETATM 2610 O O . HOH T 7 . ? 53.696 -0.660 -12.443 1.00 43.89 ? 1229 HOH A O 1 HETATM 2611 O O . HOH T 7 . ? 35.210 16.464 5.666 1.00 39.28 ? 1230 HOH A O 1 HETATM 2612 O O . HOH T 7 . ? 77.371 18.553 0.517 1.00 44.44 ? 1231 HOH A O 1 HETATM 2613 O O . HOH T 7 . ? 46.786 -17.228 -4.470 1.00 38.79 ? 1232 HOH A O 1 HETATM 2614 O O . HOH T 7 . ? 36.865 -8.921 9.737 1.00 36.48 ? 1233 HOH A O 1 HETATM 2615 O O . HOH T 7 . ? 59.935 12.178 -8.121 1.00 40.04 ? 1234 HOH A O 1 HETATM 2616 O O . HOH T 7 . ? 48.559 30.347 6.091 1.00 38.46 ? 1235 HOH A O 1 HETATM 2617 O O . HOH T 7 . ? 50.961 32.355 14.699 1.00 39.36 ? 1236 HOH A O 1 HETATM 2618 O O . HOH T 7 . ? 46.079 30.378 8.608 1.00 40.11 ? 1237 HOH A O 1 HETATM 2619 O O . HOH T 7 . ? 71.351 11.688 -9.302 1.00 40.74 ? 1238 HOH A O 1 HETATM 2620 O O . HOH T 7 . ? 34.542 14.200 11.915 1.00 31.11 ? 1239 HOH A O 1 HETATM 2621 O O . HOH T 7 . ? 31.531 11.364 -9.505 0.50 43.27 ? 1240 HOH A O 1 HETATM 2622 O O . HOH T 7 . ? 38.939 25.315 8.048 1.00 46.31 ? 1241 HOH A O 1 HETATM 2623 O O . HOH T 7 . ? 58.477 16.301 -12.082 1.00 46.09 ? 1242 HOH A O 1 HETATM 2624 O O . HOH T 7 . ? 73.793 22.564 -1.521 1.00 39.75 ? 1243 HOH A O 1 HETATM 2625 O O . HOH T 7 . ? 47.079 5.547 -15.260 1.00 53.14 ? 1244 HOH A O 1 HETATM 2626 O O . HOH T 7 . ? 64.113 10.106 16.490 1.00 32.90 ? 1245 HOH A O 1 HETATM 2627 O O . HOH T 7 . ? 63.587 4.552 -6.937 1.00 26.85 ? 1246 HOH A O 1 HETATM 2628 O O . HOH T 7 . ? 59.943 13.599 -10.103 1.00 50.65 ? 1247 HOH A O 1 HETATM 2629 O O . HOH T 7 . ? 47.494 -4.228 -16.575 1.00 35.54 ? 1248 HOH A O 1 HETATM 2630 O O . HOH T 7 . ? 62.609 1.093 11.552 1.00 39.21 ? 1249 HOH A O 1 HETATM 2631 O O . HOH T 7 . ? 33.694 9.897 12.089 1.00 29.56 ? 1250 HOH A O 1 HETATM 2632 O O . HOH T 7 . ? 43.025 19.283 -0.198 1.00 35.29 ? 1251 HOH A O 1 HETATM 2633 O O . HOH T 7 . ? 78.244 7.639 12.497 1.00 50.12 ? 1252 HOH A O 1 HETATM 2634 O O . HOH T 7 . ? 35.666 14.899 9.555 1.00 37.80 ? 1253 HOH A O 1 HETATM 2635 O O . HOH T 7 . ? 24.641 -4.701 8.860 1.00 42.03 ? 1254 HOH A O 1 HETATM 2636 O O . HOH T 7 . ? 17.628 -20.130 6.636 1.00 36.81 ? 1255 HOH A O 1 HETATM 2637 O O B HOH T 7 . ? 52.738 31.750 10.947 0.50 7.69 ? 1256 HOH A O 1 HETATM 2638 O O . HOH T 7 . ? 43.900 27.583 6.266 1.00 36.27 ? 1257 HOH A O 1 HETATM 2639 O O . HOH T 7 . ? 63.991 -0.806 -7.896 1.00 36.89 ? 1258 HOH A O 1 HETATM 2640 O O . HOH T 7 . ? 69.901 17.860 -5.828 1.00 53.57 ? 1259 HOH A O 1 HETATM 2641 O O . HOH T 7 . ? 25.264 13.345 -3.052 1.00 41.71 ? 1260 HOH A O 1 HETATM 2642 O O . HOH T 7 . ? 34.952 14.667 -10.543 1.00 41.06 ? 1261 HOH A O 1 HETATM 2643 O O . HOH T 7 . ? 38.533 -9.472 20.050 1.00 41.61 ? 1262 HOH A O 1 HETATM 2644 O O . HOH T 7 . ? 64.729 1.416 -8.101 1.00 38.14 ? 1263 HOH A 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 . THR A 1 ? 0.5890 0.4629 0.5163 0.0098 0.0025 0.0218 1 THR A N 2 C CA . THR A 1 ? 0.4970 0.4512 0.4442 0.0021 -0.0072 0.0417 1 THR A CA 3 C C . THR A 1 ? 0.4403 0.4168 0.4395 0.0320 -0.0051 0.0099 1 THR A C 4 O O . THR A 1 ? 0.4975 0.3975 0.4729 0.0428 -0.0101 0.0422 1 THR A O 5 C CB . THR A 1 ? 0.5400 0.5201 0.5242 -0.0181 -0.0149 0.0024 1 THR A CB 6 N N . SER A 2 ? 0.4307 0.2661 0.3022 0.0115 -0.0616 0.0246 2 SER A N 7 C CA . SER A 2 ? 0.3326 0.2014 0.2409 -0.0205 0.0002 0.0335 2 SER A CA 8 C C . SER A 2 ? 0.2107 0.1976 0.1460 -0.0161 -0.0061 0.0336 2 SER A C 9 O O . SER A 2 ? 0.2988 0.2548 0.1543 -0.0370 0.0092 0.0352 2 SER A O 10 C CB . SER A 2 ? 0.3570 0.3383 0.3272 0.0070 -0.0038 0.0061 2 SER A CB 11 O OG . SER A 2 ? 0.3449 0.4465 0.3830 -0.0516 0.0030 -0.0159 2 SER A OG 12 N N . PHE A 3 ? 0.1440 0.1548 0.1796 -0.0297 -0.0312 0.0480 3 PHE A N 13 C CA . PHE A 3 ? 0.1447 0.1458 0.1655 -0.0064 -0.0586 0.0167 3 PHE A CA 14 C C . PHE A 3 ? 0.1356 0.1144 0.1351 -0.0060 -0.0129 0.0036 3 PHE A C 15 O O . PHE A 3 ? 0.1470 0.1865 0.1309 0.0065 -0.0175 0.0051 3 PHE A O 16 C CB . PHE A 3 ? 0.1056 0.2062 0.1717 -0.0132 -0.0227 -0.0019 3 PHE A CB 17 C CG . PHE A 3 ? 0.1276 0.1719 0.1540 -0.0074 -0.0213 -0.0068 3 PHE A CG 18 C CD1 . PHE A 3 ? 0.1315 0.2066 0.1315 -0.0128 -0.0106 0.0039 3 PHE A CD1 19 C CD2 . PHE A 3 ? 0.1793 0.1593 0.1695 0.0204 -0.0164 -0.0044 3 PHE A CD2 20 C CE1 . PHE A 3 ? 0.1539 0.2283 0.1916 -0.0053 0.0091 0.0134 3 PHE A CE1 21 C CE2 . PHE A 3 ? 0.1993 0.2169 0.2173 0.0141 -0.0174 -0.0045 3 PHE A CE2 22 C CZ . PHE A 3 ? 0.1473 0.2384 0.1157 -0.0227 -0.0131 -0.0140 3 PHE A CZ 23 N N . THR A 4 ? 0.1362 0.0969 0.1395 0.0081 -0.0307 0.0233 4 THR A N 24 C CA . THR A 4 ? 0.0761 0.1356 0.1283 0.0209 -0.0284 0.0396 4 THR A CA 25 C C . THR A 4 ? 0.1226 0.1504 0.1108 -0.0341 -0.0134 0.0180 4 THR A C 26 O O . THR A 4 ? 0.1307 0.1594 0.1018 -0.0048 0.0010 0.0179 4 THR A O 27 C CB . THR A 4 ? 0.1168 0.1663 0.1644 -0.0032 -0.0318 0.0240 4 THR A CB 28 O OG1 . THR A 4 ? 0.1336 0.1695 0.1083 -0.0330 -0.0113 0.0274 4 THR A OG1 29 C CG2 . THR A 4 ? 0.0964 0.2022 0.1036 -0.0105 -0.0562 0.0332 4 THR A CG2 30 N N . ARG A 5 ? 0.1339 0.1408 0.1368 -0.0033 0.0085 0.0144 5 ARG A N 31 C CA . ARG A 5 ? 0.1124 0.0983 0.1040 0.0071 -0.0116 0.0360 5 ARG A CA 32 C C . ARG A 5 ? 0.1292 0.1451 0.0926 -0.0166 -0.0048 0.0115 5 ARG A C 33 O O . ARG A 5 ? 0.1589 0.1485 0.1189 -0.0300 -0.0056 0.0169 5 ARG A O 34 C CB . ARG A 5 ? 0.1273 0.1790 0.1398 0.0335 -0.0197 0.0319 5 ARG A CB 35 C CG . ARG A 5 ? 0.1541 0.2077 0.1013 0.0011 -0.0593 -0.0008 5 ARG A CG 36 C CD . ARG A 5 ? 0.1722 0.1933 0.0802 -0.0071 -0.0574 0.0230 5 ARG A CD 37 N NE . ARG A 5 ? 0.1472 0.1916 0.0954 -0.0187 -0.0491 0.0363 5 ARG A NE 38 C CZ . ARG A 5 ? 0.1339 0.1580 0.1180 -0.0006 -0.0084 0.0151 5 ARG A CZ 39 N NH1 . ARG A 5 ? 0.1216 0.1813 0.1383 0.0119 -0.0125 0.0102 5 ARG A NH1 40 N NH2 . ARG A 5 ? 0.1654 0.2281 0.1223 0.0020 -0.0274 0.0018 5 ARG A NH2 41 N N . ASN A 6 ? 0.1106 0.1257 0.0975 -0.0093 -0.0019 0.0487 6 ASN A N 42 C CA . ASN A 6 ? 0.1087 0.1277 0.0745 0.0169 0.0215 0.0121 6 ASN A CA 43 C C . ASN A 6 ? 0.0819 0.1260 0.1093 0.0051 -0.0087 -0.0128 6 ASN A C 44 O O . ASN A 6 ? 0.1057 0.1673 0.0927 -0.0015 -0.0260 0.0242 6 ASN A O 45 C CB . ASN A 6 ? 0.0939 0.1070 0.1377 0.0079 0.0041 0.0270 6 ASN A CB 46 C CG . ASN A 6 ? 0.1307 0.0958 0.1229 0.0201 0.0300 0.0155 6 ASN A CG 47 O OD1 . ASN A 6 ? 0.1555 0.1944 0.1338 0.0225 0.0149 0.0277 6 ASN A OD1 48 N ND2 . ASN A 6 ? 0.1315 0.1387 0.1157 0.0025 0.0004 0.0186 6 ASN A ND2 49 N N . ILE A 7 ? 0.1242 0.0949 0.0838 -0.0020 0.0408 -0.0112 7 ILE A N 50 C CA . ILE A 7 ? 0.1007 0.0913 0.0910 0.0326 0.0194 -0.0077 7 ILE A CA 51 C C . ILE A 7 ? 0.1145 0.1191 0.0735 -0.0044 -0.0034 -0.0086 7 ILE A C 52 O O . ILE A 7 ? 0.1144 0.1384 0.1118 -0.0106 -0.0185 0.0172 7 ILE A O 53 C CB . ILE A 7 ? 0.1082 0.0935 0.1319 -0.0024 0.0301 -0.0106 7 ILE A CB 54 C CG1 . ILE A 7 ? 0.1223 0.0817 0.1499 -0.0160 0.0328 0.0034 7 ILE A CG1 55 C CG2 . ILE A 7 ? 0.1077 0.1756 0.0910 -0.0038 0.0235 0.0149 7 ILE A CG2 56 C CD1 . ILE A 7 ? 0.1288 0.1146 0.1382 -0.0217 0.0119 -0.0149 7 ILE A CD1 57 N N . VAL A 8 ? 0.0951 0.0832 0.1061 -0.0273 0.0041 0.0140 8 VAL A N 58 C CA . VAL A 8 ? 0.1198 0.0681 0.1264 -0.0405 0.0204 0.0039 8 VAL A CA 59 C C . VAL A 8 ? 0.1100 0.1399 0.1063 0.0243 0.0010 0.0143 8 VAL A C 60 O O . VAL A 8 ? 0.1139 0.1735 0.1214 0.0533 0.0026 0.0263 8 VAL A O 61 C CB . VAL A 8 ? 0.1025 0.1199 0.1306 -0.0152 0.0103 -0.0058 8 VAL A CB 62 C CG1 . VAL A 8 ? 0.1436 0.1085 0.1604 0.0010 -0.0051 0.0427 8 VAL A CG1 63 C CG2 . VAL A 8 ? 0.0944 0.1513 0.1128 0.0115 0.0283 0.0011 8 VAL A CG2 64 N N . GLY A 9 ? 0.0866 0.1265 0.1009 -0.0117 0.0006 0.0060 9 GLY A N 65 C CA . GLY A 9 ? 0.1366 0.1377 0.0978 -0.0025 0.0111 0.0660 9 GLY A CA 66 C C . GLY A 9 ? 0.0836 0.1191 0.1224 0.0259 0.0019 0.0141 9 GLY A C 67 O O . GLY A 9 ? 0.1197 0.1339 0.1307 0.0124 0.0096 -0.0092 9 GLY A O 68 N N . ARG A 10 ? 0.1029 0.1453 0.1171 -0.0379 -0.0221 0.0252 10 ARG A N 69 C CA . ARG A 10 ? 0.1010 0.0940 0.1096 -0.0033 0.0077 0.0207 10 ARG A CA 70 C C . ARG A 10 ? 0.1180 0.1181 0.0662 -0.0007 0.0151 0.0173 10 ARG A C 71 O O . ARG A 10 ? 0.0971 0.1542 0.1202 -0.0090 -0.0068 0.0106 10 ARG A O 72 C CB . ARG A 10 ? 0.1171 0.1443 0.0856 -0.0247 -0.0087 0.0240 10 ARG A CB 73 C CG . ARG A 10 ? 0.1555 0.1492 0.0974 -0.0333 0.0131 0.0097 10 ARG A CG 74 C CD . ARG A 10 ? 0.1003 0.1622 0.1051 -0.0053 0.0019 0.0255 10 ARG A CD 75 N NE . ARG A 10 ? 0.1530 0.1819 0.1418 -0.0074 0.0109 0.0103 10 ARG A NE 76 C CZ . ARG A 10 ? 0.1051 0.1851 0.1064 -0.0003 0.0000 0.0022 10 ARG A CZ 77 N NH1 . ARG A 10 ? 0.1190 0.1837 0.1762 0.0264 -0.0194 0.0177 10 ARG A NH1 78 N NH2 . ARG A 10 ? 0.1534 0.2368 0.1398 -0.0300 -0.0145 0.0689 10 ARG A NH2 79 N N . ASP A 11 ? 0.1132 0.1519 0.1181 -0.0081 -0.0104 -0.0149 11 ASP A N 80 C CA . ASP A 11 ? 0.1490 0.1662 0.0911 0.0255 0.0122 0.0291 11 ASP A CA 81 C C . ASP A 11 ? 0.0886 0.1057 0.1245 -0.0067 0.0134 0.0326 11 ASP A C 82 O O . ASP A 11 ? 0.1259 0.1454 0.1729 0.0146 -0.0043 0.0157 11 ASP A O 83 C CB . ASP A 11 ? 0.1525 0.1982 0.0810 0.0307 -0.0106 0.0216 11 ASP A CB 84 C CG . ASP A 11 ? 0.2043 0.3537 0.3292 -0.0017 0.0245 0.0730 11 ASP A CG 85 O OD1 . ASP A 11 ? 0.1617 0.3273 0.2028 -0.0401 -0.0383 0.0661 11 ASP A OD1 86 O OD2 . ASP A 11 ? 0.2608 0.3777 0.3591 -0.0244 -0.0613 0.0599 11 ASP A OD2 87 N N . GLY A 12 ? 0.1108 0.1250 0.1064 -0.0290 -0.0056 0.0192 12 GLY A N 88 C CA . GLY A 12 ? 0.1013 0.1752 0.1342 -0.0198 -0.0018 -0.0029 12 GLY A CA 89 C C . GLY A 12 ? 0.1245 0.1079 0.1128 -0.0280 -0.0126 -0.0046 12 GLY A C 90 O O . GLY A 12 ? 0.0980 0.1714 0.1268 0.0040 0.0060 -0.0089 12 GLY A O 91 N N . LEU A 13 ? 0.1206 0.1237 0.1093 -0.0082 -0.0254 0.0036 13 LEU A N 92 C CA . LEU A 13 ? 0.1113 0.1404 0.1130 -0.0106 -0.0206 0.0017 13 LEU A CA 93 C C . LEU A 13 ? 0.0936 0.1420 0.1238 -0.0105 -0.0125 -0.0007 13 LEU A C 94 O O . LEU A 13 ? 0.0915 0.1441 0.1466 0.0216 0.0239 0.0251 13 LEU A O 95 C CB . LEU A 13 ? 0.1024 0.1120 0.0678 -0.0053 -0.0146 0.0221 13 LEU A CB 96 C CG . LEU A 13 ? 0.2253 0.1907 0.1028 0.0507 -0.0148 0.0477 13 LEU A CG 97 C CD1 . LEU A 13 ? 0.3266 0.1683 0.1341 -0.0006 -0.0323 0.0044 13 LEU A CD1 98 C CD2 . LEU A 13 ? 0.2475 0.2510 0.1906 0.0436 0.0100 0.0265 13 LEU A CD2 99 N N . CYS A 14 ? 0.0946 0.1009 0.1044 -0.0020 0.0072 0.0006 14 CYS A N 100 C CA . CYS A 14 ? 0.1174 0.1008 0.1020 -0.0310 0.0208 0.0045 14 CYS A CA 101 C C . CYS A 14 ? 0.1094 0.1067 0.0906 0.0036 0.0065 0.0017 14 CYS A C 102 O O . CYS A 14 ? 0.1126 0.1206 0.0978 -0.0086 -0.0195 0.0294 14 CYS A O 103 C CB . CYS A 14 ? 0.1419 0.1859 0.0778 -0.0088 0.0019 -0.0252 14 CYS A CB 104 S SG . CYS A 14 ? 0.1285 0.1240 0.1068 0.0086 -0.0106 0.0012 14 CYS A SG 105 N N . VAL A 15 ? 0.1052 0.0811 0.0844 0.0103 0.0117 -0.0150 15 VAL A N 106 C CA . VAL A 15 ? 0.0919 0.0841 0.1160 -0.0259 0.0029 0.0228 15 VAL A CA 107 C C . VAL A 15 ? 0.0819 0.1248 0.0807 -0.0284 0.0014 -0.0068 15 VAL A C 108 O O . VAL A 15 ? 0.0924 0.1496 0.0779 0.0185 -0.0029 0.0044 15 VAL A O 109 C CB . VAL A 15 ? 0.0764 0.1138 0.1371 0.0116 0.0061 0.0082 15 VAL A CB 110 C CG1 . VAL A 15 ? 0.1347 0.1414 0.1211 0.0071 -0.0427 -0.0271 15 VAL A CG1 111 C CG2 . VAL A 15 ? 0.0416 0.1510 0.1253 0.0104 0.0026 0.0149 15 VAL A CG2 112 N N . ASP A 16 ? 0.0790 0.1575 0.0962 0.0196 -0.0244 -0.0073 16 ASP A N 113 C CA . ASP A 16 ? 0.0576 0.1159 0.1294 -0.0032 -0.0283 -0.0177 16 ASP A CA 114 C C . ASP A 16 ? 0.1056 0.1148 0.1297 -0.0129 0.0124 -0.0004 16 ASP A C 115 O O . ASP A 16 ? 0.0886 0.1811 0.1176 -0.0201 -0.0114 0.0089 16 ASP A O 116 C CB . ASP A 16 ? 0.0964 0.1148 0.1442 0.0316 -0.0063 -0.0010 16 ASP A CB 117 C CG . ASP A 16 ? 0.0981 0.1667 0.1205 0.0040 -0.0026 -0.0061 16 ASP A CG 118 O OD1 . ASP A 16 ? 0.1098 0.1685 0.1511 0.0116 -0.0155 0.0181 16 ASP A OD1 119 O OD2 . ASP A 16 ? 0.0911 0.1711 0.1273 0.0148 0.0095 -0.0150 16 ASP A OD2 120 N N . VAL A 17 ? 0.1052 0.1117 0.1240 -0.0398 -0.0141 0.0127 17 VAL A N 121 C CA . VAL A 17 ? 0.1040 0.1072 0.1185 0.0009 -0.0097 -0.0055 17 VAL A CA 122 C C . VAL A 17 ? 0.1163 0.1616 0.1050 0.0065 0.0099 0.0044 17 VAL A C 123 O O . VAL A 17 ? 0.0913 0.1954 0.1414 0.0166 0.0098 -0.0165 17 VAL A O 124 C CB . VAL A 17 ? 0.1498 0.1055 0.1071 0.0060 -0.0144 -0.0112 17 VAL A CB 125 C CG1 . VAL A 17 ? 0.1696 0.1592 0.1446 0.0206 -0.0344 -0.0463 17 VAL A CG1 126 C CG2 . VAL A 17 ? 0.1436 0.1211 0.1073 -0.0002 -0.0455 0.0155 17 VAL A CG2 127 N N . ARG A 18 ? 0.1105 0.1853 0.1243 0.0047 -0.0423 0.0136 18 ARG A N 128 C CA . ARG A 18 ? 0.1066 0.1865 0.0895 0.0053 0.0075 0.0278 18 ARG A CA 129 C C . ARG A 18 ? 0.1266 0.1708 0.1247 0.0027 -0.0017 0.0103 18 ARG A C 130 O O . ARG A 18 ? 0.1215 0.2117 0.2288 0.0167 0.0026 -0.0093 18 ARG A O 131 C CB . ARG A 18 ? 0.1425 0.1434 0.0827 -0.0051 -0.0222 0.0012 18 ARG A CB 132 C CG . ARG A 18 ? 0.0950 0.1691 0.0669 0.0134 -0.0310 0.0112 18 ARG A CG 133 C CD . ARG A 18 ? 0.2137 0.1273 0.0937 0.0097 0.0023 0.0010 18 ARG A CD 134 N NE . ARG A 18 ? 0.1776 0.1810 0.1424 -0.0370 -0.0395 0.0374 18 ARG A NE 135 C CZ . ARG A 18 ? 0.1440 0.1175 0.1652 -0.0002 -0.0284 0.0103 18 ARG A CZ 136 N NH1 . ARG A 18 ? 0.1867 0.1731 0.1840 -0.0018 -0.0502 0.0097 18 ARG A NH1 137 N NH2 . ARG A 18 ? 0.1453 0.1915 0.1229 -0.0076 -0.0196 0.0206 18 ARG A NH2 138 N N . ASN A 19 ? 0.1082 0.1803 0.1390 0.0340 0.0053 -0.0044 19 ASN A N 139 C CA . ASN A 19 ? 0.1062 0.2591 0.1747 0.0272 -0.0198 0.0059 19 ASN A CA 140 C C . ASN A 19 ? 0.1289 0.2151 0.1565 0.0228 0.0262 -0.0106 19 ASN A C 141 O O . ASN A 19 ? 0.1368 0.2488 0.1801 -0.0162 -0.0204 0.0018 19 ASN A O 142 C CB . ASN A 19 ? 0.1524 0.2816 0.1913 0.0485 -0.0166 0.0169 19 ASN A CB 143 C CG . ASN A 19 ? 0.1825 0.2061 0.1638 0.0266 -0.0109 -0.0023 19 ASN A CG 144 O OD1 . ASN A 19 ? 0.2026 0.2458 0.2191 0.0594 -0.0143 0.0231 19 ASN A OD1 145 N ND2 . ASN A 19 ? 0.2002 0.3486 0.1213 0.0289 -0.0248 -0.0438 19 ASN A ND2 146 N N . GLY A 20 ? 0.1641 0.2249 0.1490 -0.0070 0.0033 0.0336 20 GLY A N 147 C CA . GLY A 20 ? 0.1354 0.1818 0.1723 0.0017 0.0120 0.0037 20 GLY A CA 148 C C . GLY A 20 ? 0.1319 0.1941 0.1665 0.0072 -0.0199 0.0041 20 GLY A C 149 O O . GLY A 20 ? 0.1877 0.2892 0.2110 -0.0333 -0.0286 0.0264 20 GLY A O 150 N N . TYR A 21 ? 0.1077 0.2039 0.1673 0.0175 0.0002 -0.0129 21 TYR A N 151 C CA . TYR A 21 ? 0.1826 0.1776 0.2147 0.0090 -0.0148 -0.0158 21 TYR A CA 152 C C . TYR A 21 ? 0.1639 0.1765 0.2093 0.0022 -0.0038 -0.0267 21 TYR A C 153 O O . TYR A 21 ? 0.1370 0.2405 0.2857 0.0084 -0.0138 0.0195 21 TYR A O 154 C CB . TYR A 21 ? 0.2137 0.2621 0.2459 -0.0372 -0.0599 -0.0272 21 TYR A CB 155 C CG . TYR A 21 ? 0.1082 0.3654 0.2782 -0.0507 0.0016 0.0161 21 TYR A CG 156 C CD1 . TYR A 21 ? 0.2685 0.2810 0.3177 0.0537 -0.0204 -0.0262 21 TYR A CD1 157 C CD2 . TYR A 21 ? 0.4092 0.4826 0.4055 0.0420 -0.0339 0.0576 21 TYR A CD2 158 C CE1 . TYR A 21 ? 0.3716 0.4218 0.4319 0.0205 -0.0217 -0.0028 21 TYR A CE1 159 C CE2 . TYR A 21 ? 0.4962 0.5094 0.4941 0.0192 0.0262 0.0023 21 TYR A CE2 160 C CZ . TYR A 21 ? 0.2404 0.3405 0.3133 0.0849 -0.0117 0.0765 21 TYR A CZ 161 O OH . TYR A 21 ? 0.4399 0.4629 0.4665 0.0592 0.0058 0.0518 21 TYR A OH 162 N N . ASP A 22 ? 0.1974 0.2184 0.1757 -0.0045 -0.0175 0.0085 22 ASP A N 163 C CA . ASP A 22 ? 0.1817 0.2081 0.1654 0.0137 -0.0095 0.0018 22 ASP A CA 164 C C . ASP A 22 ? 0.1394 0.1676 0.1564 0.0014 -0.0100 0.0203 22 ASP A C 165 O O . ASP A 22 ? 0.1762 0.1936 0.2041 -0.0078 -0.0161 0.0175 22 ASP A O 166 C CB . ASP A 22 ? 0.1645 0.2616 0.2062 -0.0257 0.0316 0.0079 22 ASP A CB 167 C CG . ASP A 22 ? 0.2274 0.2947 0.2386 -0.0149 -0.0064 0.0128 22 ASP A CG 168 O OD1 . ASP A 22 ? 0.2219 0.3236 0.2634 -0.0219 -0.0288 0.0002 22 ASP A OD1 169 O OD2 . ASP A 22 ? 0.3186 0.3819 0.2964 -0.0135 0.0187 0.0747 22 ASP A OD2 170 N N A THR A 23 ? 0.1481 0.2260 0.1814 -0.0018 -0.0122 -0.0048 23 THR A N 171 N N B THR A 23 ? 0.1560 0.2314 0.1966 0.0003 -0.0125 -0.0049 23 THR A N 172 C CA A THR A 23 ? 0.0994 0.2015 0.1313 0.0225 -0.0408 -0.0035 23 THR A CA 173 C CA B THR A 23 ? 0.1641 0.2135 0.1607 0.0170 -0.0180 -0.0111 23 THR A CA 174 C C A THR A 23 ? 0.1590 0.1919 0.1458 0.0085 -0.0113 0.0103 23 THR A C 175 C C B THR A 23 ? 0.2044 0.2070 0.1758 0.0095 -0.0091 0.0035 23 THR A C 176 O O A THR A 23 ? 0.1103 0.1594 0.1444 0.0015 -0.0221 0.0117 23 THR A O 177 O O B THR A 23 ? 0.1670 0.2195 0.2004 -0.0105 -0.0258 0.0038 23 THR A O 178 C CB A THR A 23 ? 0.1789 0.1904 0.1153 -0.0122 -0.0057 0.0291 23 THR A CB 179 C CB B THR A 23 ? 0.2749 0.2503 0.2465 0.0442 -0.0197 -0.0151 23 THR A CB 180 O OG1 A THR A 23 ? 0.2128 0.2660 0.1924 -0.0059 -0.0305 -0.0614 23 THR A OG1 181 O OG1 B THR A 23 ? 0.2771 0.2758 0.2955 0.0058 0.0145 0.0040 23 THR A OG1 182 C CG2 A THR A 23 ? 0.1546 0.0846 0.2098 -0.0287 -0.0411 -0.0095 23 THR A CG2 183 C CG2 B THR A 23 ? 0.0572 0.2122 0.1045 0.0494 -0.0112 0.0114 23 THR A CG2 184 N N . ASP A 24 ? 0.1315 0.1971 0.1699 0.0229 -0.0344 0.0101 24 ASP A N 185 C CA . ASP A 24 ? 0.1192 0.1516 0.1493 -0.0100 -0.0078 0.0037 24 ASP A CA 186 C C . ASP A 24 ? 0.0976 0.1852 0.1697 -0.0255 -0.0322 0.0149 24 ASP A C 187 O O . ASP A 24 ? 0.1472 0.1969 0.1821 -0.0008 -0.0389 0.0276 24 ASP A O 188 C CB . ASP A 24 ? 0.2202 0.1388 0.1928 -0.0145 -0.0355 0.0377 24 ASP A CB 189 C CG . ASP A 24 ? 0.2313 0.1969 0.1605 -0.0175 -0.0273 0.0025 24 ASP A CG 190 O OD1 . ASP A 24 ? 0.1732 0.2245 0.1663 -0.0213 -0.0135 0.0055 24 ASP A OD1 191 O OD2 . ASP A 24 ? 0.2292 0.2248 0.2775 -0.0547 -0.0727 0.0475 24 ASP A OD2 192 N N . GLY A 25 ? 0.1168 0.1379 0.1720 -0.0276 -0.0144 0.0166 25 GLY A N 193 C CA . GLY A 25 ? 0.1932 0.1562 0.1560 0.0039 0.0071 0.0072 25 GLY A CA 194 C C . GLY A 25 ? 0.1001 0.1627 0.1582 0.0024 -0.0269 -0.0139 25 GLY A C 195 O O . GLY A 25 ? 0.1385 0.1767 0.1386 -0.0013 -0.0373 0.0120 25 GLY A O 196 N N . THR A 26 ? 0.0855 0.1398 0.1409 0.0003 -0.0297 -0.0025 26 THR A N 197 C CA . THR A 26 ? 0.1063 0.1315 0.1445 0.0013 0.0040 -0.0113 26 THR A CA 198 C C . THR A 26 ? 0.1205 0.1508 0.0800 -0.0093 0.0298 0.0194 26 THR A C 199 O O . THR A 26 ? 0.1174 0.1483 0.1442 -0.0020 -0.0279 -0.0005 26 THR A O 200 C CB . THR A 26 ? 0.0978 0.1262 0.1205 0.0029 -0.0200 -0.0176 26 THR A CB 201 O OG1 . THR A 26 ? 0.0801 0.1823 0.1343 -0.0205 -0.0080 0.0050 26 THR A OG1 202 C CG2 . THR A 26 ? 0.1290 0.1312 0.1243 0.0031 -0.0322 0.0089 26 THR A CG2 203 N N . PRO A 27 ? 0.0765 0.1326 0.1050 -0.0014 0.0040 0.0362 27 PRO A N 204 C CA . PRO A 27 ? 0.0694 0.1530 0.1330 -0.0453 0.0109 0.0072 27 PRO A CA 205 C C . PRO A 27 ? 0.0921 0.1565 0.1180 -0.0024 0.0220 0.0117 27 PRO A C 206 O O . PRO A 27 ? 0.0633 0.1698 0.1541 0.0226 -0.0176 -0.0056 27 PRO A O 207 C CB . PRO A 27 ? 0.1635 0.1718 0.1521 -0.0166 -0.0245 0.0115 27 PRO A CB 208 C CG . PRO A 27 ? 0.1881 0.2894 0.2353 -0.0615 -0.0224 0.0848 27 PRO A CG 209 C CD . PRO A 27 ? 0.1189 0.1930 0.1191 0.0083 -0.0165 0.0637 27 PRO A CD 210 N N . LEU A 28 ? 0.1073 0.1421 0.0932 -0.0095 -0.0302 0.0216 28 LEU A N 211 C CA . LEU A 28 ? 0.0895 0.1453 0.0752 -0.0064 -0.0266 0.0105 28 LEU A CA 212 C C . LEU A 28 ? 0.1140 0.1163 0.1069 -0.0010 0.0035 -0.0104 28 LEU A C 213 O O . LEU A 28 ? 0.0954 0.1482 0.1026 0.0014 -0.0010 -0.0074 28 LEU A O 214 C CB . LEU A 28 ? 0.1032 0.1215 0.1238 0.0419 -0.0111 0.0504 28 LEU A CB 215 C CG . LEU A 28 ? 0.1228 0.1959 0.1447 0.0628 0.0001 0.0776 28 LEU A CG 216 C CD1 . LEU A 28 ? 0.1435 0.1915 0.1518 0.0479 -0.0435 0.0260 28 LEU A CD1 217 C CD2 . LEU A 28 ? 0.1577 0.2570 0.1440 0.0049 -0.0049 0.0323 28 LEU A CD2 218 N N . GLN A 29 ? 0.0836 0.1068 0.1356 0.0149 0.0025 -0.0118 29 GLN A N 219 C CA . GLN A 29 ? 0.1102 0.1081 0.1205 0.0188 -0.0159 -0.0114 29 GLN A CA 220 C C . GLN A 29 ? 0.1269 0.1209 0.0969 0.0224 -0.0045 -0.0030 29 GLN A C 221 O O . GLN A 29 ? 0.1424 0.1151 0.1080 -0.0213 -0.0039 0.0092 29 GLN A O 222 C CB . GLN A 29 ? 0.0973 0.1777 0.0744 -0.0042 0.0209 0.0311 29 GLN A CB 223 C CG . GLN A 29 ? 0.0798 0.1378 0.0874 0.0350 0.0042 0.0156 29 GLN A CG 224 C CD . GLN A 29 ? 0.1093 0.1408 0.1345 0.0116 -0.0136 0.0008 29 GLN A CD 225 O OE1 . GLN A 29 ? 0.1016 0.2074 0.1635 0.0106 -0.0058 -0.0067 29 GLN A OE1 226 N NE2 . GLN A 29 ? 0.1223 0.1907 0.1364 -0.0002 -0.0035 0.0061 29 GLN A NE2 227 N N . LEU A 30 ? 0.1000 0.1121 0.1564 0.0085 -0.0040 -0.0056 30 LEU A N 228 C CA . LEU A 30 ? 0.0985 0.0787 0.1419 0.0221 0.0008 0.0018 30 LEU A CA 229 C C . LEU A 30 ? 0.1263 0.1774 0.1403 0.0289 0.0024 -0.0135 30 LEU A C 230 O O . LEU A 30 ? 0.1222 0.1408 0.1304 0.0101 -0.0082 -0.0141 30 LEU A O 231 C CB . LEU A 30 ? 0.0902 0.1335 0.1391 0.0093 0.0314 -0.0197 30 LEU A CB 232 C CG . LEU A 30 ? 0.1302 0.1921 0.2336 0.0102 0.0285 0.0045 30 LEU A CG 233 C CD1 . LEU A 30 ? 0.1861 0.1933 0.2776 -0.0432 0.0460 -0.0462 30 LEU A CD1 234 C CD2 . LEU A 30 ? 0.1449 0.2745 0.1817 0.0615 -0.0268 -0.0817 30 LEU A CD2 235 N N . TRP A 31 ? 0.1091 0.1356 0.1100 0.0161 0.0085 0.0019 31 TRP A N 236 C CA . TRP A 31 ? 0.1154 0.1163 0.0981 0.0140 0.0051 -0.0105 31 TRP A CA 237 C C . TRP A 31 ? 0.1219 0.0950 0.0942 0.0139 0.0231 -0.0049 31 TRP A C 238 O O . TRP A 31 ? 0.1201 0.1333 0.1340 0.0200 -0.0020 0.0012 31 TRP A O 239 C CB . TRP A 31 ? 0.0942 0.1433 0.1381 0.0113 -0.0123 -0.0095 31 TRP A CB 240 C CG . TRP A 31 ? 0.1458 0.1553 0.1124 0.0369 -0.0223 -0.0022 31 TRP A CG 241 C CD1 . TRP A 31 ? 0.0922 0.1606 0.1298 0.0319 -0.0048 -0.0145 31 TRP A CD1 242 C CD2 . TRP A 31 ? 0.1432 0.1733 0.1016 0.0231 -0.0156 -0.0148 31 TRP A CD2 243 N NE1 . TRP A 31 ? 0.1568 0.2101 0.1447 0.0426 -0.0178 -0.0067 31 TRP A NE1 244 C CE2 . TRP A 31 ? 0.1241 0.1785 0.1705 0.0266 0.0211 0.0125 31 TRP A CE2 245 C CE3 . TRP A 31 ? 0.1535 0.2255 0.1652 0.0135 -0.0311 0.0215 31 TRP A CE3 246 C CZ2 . TRP A 31 ? 0.1895 0.2418 0.1523 0.0556 -0.0385 0.0084 31 TRP A CZ2 247 C CZ3 . TRP A 31 ? 0.1644 0.2116 0.1200 0.0379 -0.0236 -0.0027 31 TRP A CZ3 248 C CH2 . TRP A 31 ? 0.1355 0.2230 0.1316 0.0488 -0.0376 -0.0042 31 TRP A CH2 249 N N . PRO A 32 ? 0.1122 0.1312 0.1206 0.0116 -0.0119 -0.0043 32 PRO A N 250 C CA . PRO A 32 ? 0.1450 0.1039 0.0990 0.0205 0.0039 0.0125 32 PRO A CA 251 C C . PRO A 32 ? 0.1220 0.1285 0.0935 0.0092 0.0119 -0.0078 32 PRO A C 252 O O . PRO A 32 ? 0.1193 0.1460 0.1141 0.0090 -0.0122 -0.0097 32 PRO A O 253 C CB . PRO A 32 ? 0.1835 0.1022 0.1326 0.0459 -0.0046 0.0084 32 PRO A CB 254 C CG . PRO A 32 ? 0.1796 0.1412 0.1555 0.0585 -0.0060 -0.0101 32 PRO A CG 255 C CD . PRO A 32 ? 0.1680 0.1293 0.1684 0.0401 0.0003 0.0114 32 PRO A CD 256 N N . CYS A 33 ? 0.1409 0.1452 0.1062 0.0256 0.0036 0.0139 33 CYS A N 257 C CA . CYS A 33 ? 0.0905 0.1623 0.0775 0.0034 0.0064 0.0166 33 CYS A CA 258 C C . CYS A 33 ? 0.1188 0.1480 0.1124 -0.0037 0.0147 -0.0100 33 CYS A C 259 O O . CYS A 33 ? 0.1664 0.1274 0.1666 0.0135 0.0338 -0.0168 33 CYS A O 260 C CB . CYS A 33 ? 0.0797 0.1798 0.0858 0.0186 -0.0097 -0.0242 33 CYS A CB 261 S SG . CYS A 33 ? 0.1135 0.1817 0.1194 -0.0005 0.0012 -0.0068 33 CYS A SG 262 N N . GLY A 34 ? 0.0929 0.1575 0.1185 -0.0103 -0.0065 -0.0046 34 GLY A N 263 C CA . GLY A 34 ? 0.1267 0.1796 0.1169 0.0121 0.0356 -0.0007 34 GLY A CA 264 C C . GLY A 34 ? 0.1638 0.1765 0.1309 0.0147 0.0129 -0.0146 34 GLY A C 265 O O . GLY A 34 ? 0.1403 0.1969 0.1208 0.0032 0.0323 0.0160 34 GLY A O 266 N N . THR A 35 ? 0.1345 0.2115 0.1260 -0.0440 0.0221 -0.0101 35 THR A N 267 C CA . THR A 35 ? 0.1350 0.2028 0.1325 -0.0357 0.0285 -0.0108 35 THR A CA 268 C C . THR A 35 ? 0.1678 0.1547 0.0774 0.0069 0.0154 -0.0133 35 THR A C 269 O O . THR A 35 ? 0.1550 0.1847 0.1148 -0.0387 -0.0038 -0.0101 35 THR A O 270 C CB . THR A 35 ? 0.1977 0.1880 0.1437 0.0004 0.0327 -0.0173 35 THR A CB 271 O OG1 . THR A 35 ? 0.1987 0.2676 0.1635 0.0338 0.0600 -0.0325 35 THR A OG1 272 C CG2 . THR A 35 ? 0.2755 0.2403 0.2200 -0.0033 0.0086 -0.0408 35 THR A CG2 273 N N . GLN A 36 ? 0.1367 0.1967 0.0892 0.0052 -0.0172 -0.0261 36 GLN A N 274 C CA . GLN A 36 ? 0.1471 0.1697 0.0846 -0.0001 0.0154 -0.0120 36 GLN A CA 275 C C . GLN A 36 ? 0.1303 0.1672 0.1043 -0.0068 -0.0066 0.0163 36 GLN A C 276 O O . GLN A 36 ? 0.1122 0.1974 0.0963 -0.0124 0.0017 0.0127 36 GLN A O 277 C CB . GLN A 36 ? 0.1363 0.1879 0.0768 0.0000 0.0130 0.0325 36 GLN A CB 278 C CG . GLN A 36 ? 0.1130 0.1765 0.1279 -0.0130 0.0110 0.0216 36 GLN A CG 279 C CD . GLN A 36 ? 0.1414 0.1644 0.1321 -0.0291 -0.0131 -0.0223 36 GLN A CD 280 O OE1 . GLN A 36 ? 0.2492 0.2281 0.1918 0.0326 -0.0079 0.0183 36 GLN A OE1 281 N NE2 . GLN A 36 ? 0.1405 0.1941 0.0922 -0.0272 -0.0057 -0.0287 36 GLN A NE2 282 N N . ARG A 37 ? 0.1559 0.1790 0.0927 -0.0152 0.0225 0.0044 37 ARG A N 283 C CA . ARG A 37 ? 0.1151 0.1523 0.1212 -0.0244 0.0018 0.0209 37 ARG A CA 284 C C . ARG A 37 ? 0.0891 0.1777 0.1308 0.0052 -0.0042 0.0175 37 ARG A C 285 O O . ARG A 37 ? 0.1268 0.1670 0.1064 0.0102 0.0015 0.0122 37 ARG A O 286 C CB . ARG A 37 ? 0.1325 0.2183 0.1629 -0.0501 0.0305 -0.0042 37 ARG A CB 287 C CG . ARG A 37 ? 0.1512 0.2434 0.1721 0.0129 0.0368 0.0052 37 ARG A CG 288 C CD . ARG A 37 ? 0.2072 0.2575 0.1763 0.0533 0.0290 0.0044 37 ARG A CD 289 N NE . ARG A 37 ? 0.2313 0.2912 0.1719 0.0378 0.0136 0.0439 37 ARG A NE 290 C CZ . ARG A 37 ? 0.2331 0.2514 0.1536 -0.0132 -0.0090 0.0077 37 ARG A CZ 291 N NH1 . ARG A 37 ? 0.1972 0.3184 0.2766 0.0001 0.0146 -0.0108 37 ARG A NH1 292 N NH2 . ARG A 37 ? 0.2823 0.2814 0.1717 0.0236 0.0454 0.0007 37 ARG A NH2 293 N N . ASN A 38 ? 0.0976 0.1781 0.0989 0.0163 0.0050 0.0194 38 ASN A N 294 C CA . ASN A 38 ? 0.0798 0.1835 0.0694 -0.0047 -0.0100 0.0140 38 ASN A CA 295 C C . ASN A 38 ? 0.1085 0.1480 0.0987 -0.0192 -0.0202 -0.0100 38 ASN A C 296 O O . ASN A 38 ? 0.1001 0.1710 0.1284 0.0065 0.0202 -0.0072 38 ASN A O 297 C CB . ASN A 38 ? 0.0812 0.1544 0.0948 0.0218 -0.0372 0.0280 38 ASN A CB 298 C CG . ASN A 38 ? 0.0918 0.1672 0.1255 0.0020 -0.0317 -0.0036 38 ASN A CG 299 O OD1 . ASN A 38 ? 0.1487 0.2174 0.1219 0.0123 0.0023 -0.0138 38 ASN A OD1 300 N ND2 . ASN A 38 ? 0.1042 0.1738 0.1321 -0.0081 -0.0041 0.0031 38 ASN A ND2 301 N N . GLN A 39 ? 0.0808 0.1590 0.1023 -0.0042 -0.0027 -0.0064 39 GLN A N 302 C CA . GLN A 39 ? 0.0714 0.1249 0.1403 -0.0283 -0.0367 0.0333 39 GLN A CA 303 C C . GLN A 39 ? 0.1346 0.1560 0.0970 -0.0241 -0.0404 0.0070 39 GLN A C 304 O O . GLN A 39 ? 0.0978 0.1302 0.1234 -0.0004 0.0001 0.0087 39 GLN A O 305 C CB . GLN A 39 ? 0.1091 0.1269 0.1408 0.0023 0.0006 0.0304 39 GLN A CB 306 C CG . GLN A 39 ? 0.1610 0.1495 0.1237 -0.0103 0.0031 0.0539 39 GLN A CG 307 C CD . GLN A 39 ? 0.0764 0.1368 0.1154 0.0143 -0.0037 -0.0137 39 GLN A CD 308 O OE1 . GLN A 39 ? 0.1191 0.1458 0.1168 -0.0204 -0.0294 -0.0157 39 GLN A OE1 309 N NE2 . GLN A 39 ? 0.1026 0.1817 0.1371 0.0239 0.0073 0.0165 39 GLN A NE2 310 N N . ARG A 40 ? 0.1196 0.1487 0.0774 0.0053 -0.0169 0.0197 40 ARG A N 311 C CA . ARG A 40 ? 0.0829 0.1396 0.0732 0.0081 0.0126 0.0234 40 ARG A CA 312 C C . ARG A 40 ? 0.1151 0.1590 0.1584 -0.0118 -0.0036 -0.0192 40 ARG A C 313 O O . ARG A 40 ? 0.1145 0.1441 0.1673 -0.0244 -0.0117 -0.0048 40 ARG A O 314 C CB . ARG A 40 ? 0.1034 0.1279 0.0964 0.0062 0.0254 0.0119 40 ARG A CB 315 C CG . ARG A 40 ? 0.0926 0.1174 0.1459 0.0075 -0.0070 -0.0237 40 ARG A CG 316 C CD . ARG A 40 ? 0.1490 0.1348 0.1363 0.0210 -0.0189 0.0076 40 ARG A CD 317 N NE . ARG A 40 ? 0.1336 0.1845 0.0814 0.0132 -0.0044 0.0022 40 ARG A NE 318 C CZ . ARG A 40 ? 0.1051 0.1595 0.1465 -0.0013 -0.0199 0.0182 40 ARG A CZ 319 N NH1 . ARG A 40 ? 0.1219 0.2011 0.1379 0.0080 0.0033 -0.0019 40 ARG A NH1 320 N NH2 . ARG A 40 ? 0.1573 0.1536 0.1306 -0.0030 0.0004 0.0183 40 ARG A NH2 321 N N . TRP A 41 ? 0.0922 0.1357 0.1408 0.0092 -0.0076 -0.0098 41 TRP A N 322 C CA . TRP A 41 ? 0.0919 0.1465 0.1070 -0.0004 0.0021 -0.0041 41 TRP A CA 323 C C . TRP A 41 ? 0.0988 0.1137 0.1402 -0.0174 -0.0288 0.0415 41 TRP A C 324 O O . TRP A 41 ? 0.1127 0.1293 0.1050 -0.0172 0.0055 0.0259 41 TRP A O 325 C CB . TRP A 41 ? 0.1248 0.1524 0.0898 0.0045 -0.0010 0.0509 41 TRP A CB 326 C CG . TRP A 41 ? 0.1005 0.1339 0.0818 0.0065 -0.0186 -0.0117 41 TRP A CG 327 C CD1 . TRP A 41 ? 0.0675 0.1561 0.1319 0.0236 -0.0139 0.0218 41 TRP A CD1 328 C CD2 . TRP A 41 ? 0.0671 0.1053 0.0934 0.0144 0.0212 -0.0002 41 TRP A CD2 329 N NE1 . TRP A 41 ? 0.1075 0.1353 0.0855 0.0127 0.0063 -0.0101 41 TRP A NE1 330 C CE2 . TRP A 41 ? 0.1145 0.1171 0.1314 -0.0114 -0.0228 -0.0017 41 TRP A CE2 331 C CE3 . TRP A 41 ? 0.1246 0.1317 0.0961 -0.0047 -0.0122 -0.0213 41 TRP A CE3 332 C CZ2 . TRP A 41 ? 0.1124 0.1273 0.1069 -0.0186 -0.0273 -0.0162 41 TRP A CZ2 333 C CZ3 . TRP A 41 ? 0.0998 0.1300 0.1249 -0.0204 -0.0124 0.0164 41 TRP A CZ3 334 C CH2 . TRP A 41 ? 0.1317 0.1418 0.1142 0.0069 -0.0132 0.0221 41 TRP A CH2 335 N N . THR A 42 ? 0.1384 0.1267 0.1105 0.0207 -0.0113 0.0299 42 THR A N 336 C CA . THR A 42 ? 0.1172 0.1076 0.1231 -0.0082 0.0059 0.0482 42 THR A CA 337 C C . THR A 42 ? 0.1629 0.1255 0.1397 0.0018 -0.0383 0.0137 42 THR A C 338 O O . THR A 42 ? 0.1576 0.1491 0.1422 0.0027 -0.0303 -0.0069 42 THR A O 339 C CB . THR A 42 ? 0.1338 0.1676 0.1343 -0.0287 0.0152 0.0318 42 THR A CB 340 O OG1 . THR A 42 ? 0.1410 0.2031 0.1410 -0.0087 -0.0006 0.0222 42 THR A OG1 341 C CG2 . THR A 42 ? 0.1822 0.2071 0.1591 -0.0463 -0.0166 0.0463 42 THR A CG2 342 N N . PHE A 43 ? 0.1160 0.1971 0.1416 0.0047 -0.0401 0.0000 43 PHE A N 343 C CA . PHE A 43 ? 0.1199 0.1821 0.2095 0.0019 -0.0039 0.0125 43 PHE A CA 344 C C . PHE A 43 ? 0.2301 0.1999 0.2021 -0.0266 0.0009 -0.0048 43 PHE A C 345 O O . PHE A 43 ? 0.2220 0.1859 0.1887 0.0078 -0.0442 0.0248 43 PHE A O 346 C CB . PHE A 43 ? 0.1865 0.1727 0.1742 -0.0420 -0.0211 0.0153 43 PHE A CB 347 C CG . PHE A 43 ? 0.1688 0.1859 0.1500 -0.0301 -0.0195 -0.0062 43 PHE A CG 348 C CD1 . PHE A 43 ? 0.1415 0.1778 0.1552 0.0056 -0.0363 0.0180 43 PHE A CD1 349 C CD2 . PHE A 43 ? 0.1529 0.2255 0.1582 -0.0076 -0.0268 -0.0122 43 PHE A CD2 350 C CE1 . PHE A 43 ? 0.1202 0.1451 0.1974 -0.0122 -0.0139 0.0138 43 PHE A CE1 351 C CE2 . PHE A 43 ? 0.1946 0.1702 0.2078 -0.0405 -0.0135 -0.0342 43 PHE A CE2 352 C CZ . PHE A 43 ? 0.1645 0.1691 0.2112 -0.0232 -0.0202 -0.0134 43 PHE A CZ 353 N N . ASP A 44 ? 0.2816 0.1687 0.2308 -0.0051 0.0248 0.0052 44 ASP A N 354 C CA . ASP A 44 ? 0.3273 0.2317 0.2679 0.0003 0.0001 0.0460 44 ASP A CA 355 C C . ASP A 44 ? 0.3441 0.2809 0.3022 0.0102 -0.0089 0.0242 44 ASP A C 356 O O . ASP A 44 ? 0.2779 0.2873 0.2768 -0.0163 -0.0534 -0.0055 44 ASP A O 357 C CB . ASP A 44 ? 0.3277 0.2614 0.2943 -0.0182 0.0000 0.0255 44 ASP A CB 358 C CG . ASP A 44 ? 0.3726 0.3260 0.3001 -0.0257 0.0080 0.0251 44 ASP A CG 359 O OD1 . ASP A 44 ? 0.4593 0.3419 0.4440 0.0297 0.0245 -0.0006 44 ASP A OD1 360 O OD2 . ASP A 44 ? 0.3611 0.5286 0.3843 -0.0252 -0.0451 0.0286 44 ASP A OD2 361 N N A SER A 45 ? 0.3558 0.3109 0.2459 0.0190 -0.0049 0.0399 45 SER A N 362 N N B SER A 45 ? 0.3567 0.3109 0.2503 0.0191 -0.0050 0.0389 45 SER A N 363 C CA A SER A 45 ? 0.3503 0.3318 0.2747 0.0066 -0.0201 0.0143 45 SER A CA 364 C CA B SER A 45 ? 0.3505 0.3311 0.2785 0.0055 -0.0215 0.0165 45 SER A CA 365 C C A SER A 45 ? 0.2824 0.2807 0.2704 0.0203 -0.0127 0.0120 45 SER A C 366 C C B SER A 45 ? 0.2808 0.2761 0.2928 0.0157 -0.0067 0.0044 45 SER A C 367 O O A SER A 45 ? 0.2807 0.3680 0.3194 0.0106 -0.0330 0.0260 45 SER A O 368 O O B SER A 45 ? 0.2816 0.2684 0.2887 0.0052 -0.0429 0.0314 45 SER A O 369 C CB A SER A 45 ? 0.3479 0.2978 0.2717 0.0032 -0.0123 0.0282 45 SER A CB 370 C CB B SER A 45 ? 0.3515 0.2948 0.2868 -0.0014 -0.0067 0.0265 45 SER A CB 371 O OG A SER A 45 ? 0.3565 0.3037 0.3355 0.0252 -0.0106 0.0023 45 SER A OG 372 O OG B SER A 45 ? 0.3410 0.3164 0.2957 0.0171 0.0070 0.0339 45 SER A OG 373 N N . ASP A 46 ? 0.3123 0.2211 0.2565 0.0211 -0.0413 0.0340 46 ASP A N 374 C CA . ASP A 46 ? 0.2991 0.1626 0.2455 0.0323 -0.0293 0.0694 46 ASP A CA 375 C C . ASP A 46 ? 0.2641 0.2076 0.2310 -0.0048 -0.0269 0.0120 46 ASP A C 376 O O . ASP A 46 ? 0.2487 0.1781 0.2762 0.0177 -0.0258 0.0279 46 ASP A O 377 C CB . ASP A 46 ? 0.2937 0.2479 0.2807 0.0086 -0.0111 0.0385 46 ASP A CB 378 C CG . ASP A 46 ? 0.2950 0.2425 0.3237 -0.0069 -0.0208 0.0210 46 ASP A CG 379 O OD1 . ASP A 46 ? 0.3090 0.2060 0.2298 -0.0105 -0.0082 0.0031 46 ASP A OD1 380 O OD2 . ASP A 46 ? 0.2701 0.2932 0.3865 0.0006 0.0003 0.0586 46 ASP A OD2 381 N N . ASP A 47 ? 0.1611 0.1600 0.2157 0.0290 -0.0678 0.0558 47 ASP A N 382 C CA . ASP A 47 ? 0.2215 0.2136 0.2280 -0.0072 -0.0271 0.0505 47 ASP A CA 383 C C . ASP A 47 ? 0.1686 0.2172 0.2280 -0.0060 -0.0154 0.0153 47 ASP A C 384 O O . ASP A 47 ? 0.1075 0.2222 0.2356 -0.0174 -0.0154 -0.0103 47 ASP A O 385 C CB . ASP A 47 ? 0.2509 0.2768 0.3517 0.0096 -0.0080 0.0046 47 ASP A CB 386 C CG . ASP A 47 ? 0.3627 0.4271 0.4557 -0.0142 -0.0296 -0.0137 47 ASP A CG 387 O OD1 . ASP A 47 ? 0.3058 0.3800 0.4657 0.0297 -0.0933 0.0140 47 ASP A OD1 388 O OD2 . ASP A 47 ? 0.4261 0.4948 0.5809 0.0013 0.0098 0.0398 47 ASP A OD2 389 N N . THR A 48 ? 0.1201 0.1474 0.2002 0.0042 -0.0474 0.0195 48 THR A N 390 C CA . THR A 48 ? 0.0992 0.1453 0.1964 0.0249 -0.0204 0.0046 48 THR A CA 391 C C . THR A 48 ? 0.1627 0.1581 0.1607 0.0031 -0.0305 0.0073 48 THR A C 392 O O . THR A 48 ? 0.1514 0.1414 0.1836 0.0160 -0.0364 0.0262 48 THR A O 393 C CB . THR A 48 ? 0.1686 0.1895 0.1693 -0.0121 -0.0047 0.0044 48 THR A CB 394 O OG1 . THR A 48 ? 0.1932 0.2041 0.1502 0.0020 -0.0050 0.0339 48 THR A OG1 395 C CG2 . THR A 48 ? 0.1682 0.1938 0.2511 -0.0235 -0.0319 -0.0103 48 THR A CG2 396 N N . ILE A 49 ? 0.1445 0.1068 0.1764 -0.0137 -0.0203 0.0187 49 ILE A N 397 C CA . ILE A 49 ? 0.1485 0.1315 0.1353 0.0131 -0.0035 0.0104 49 ILE A CA 398 C C . ILE A 49 ? 0.1341 0.1794 0.1380 0.0257 0.0037 0.0017 49 ILE A C 399 O O . ILE A 49 ? 0.1271 0.1663 0.1643 -0.0102 -0.0403 0.0020 49 ILE A O 400 C CB . ILE A 49 ? 0.1254 0.1247 0.1524 0.0201 0.0059 0.0016 49 ILE A CB 401 C CG1 . ILE A 49 ? 0.0999 0.1666 0.1948 0.0023 -0.0390 0.0342 49 ILE A CG1 402 C CG2 . ILE A 49 ? 0.1456 0.1421 0.2034 0.0385 -0.0343 -0.0473 49 ILE A CG2 403 C CD1 . ILE A 49 ? 0.1386 0.1349 0.2302 0.0055 0.0139 -0.0074 49 ILE A CD1 404 N N . ARG A 50 ? 0.0769 0.1333 0.1535 -0.0016 -0.0174 0.0104 50 ARG A N 405 C CA . ARG A 50 ? 0.0689 0.1563 0.1960 -0.0098 -0.0451 0.0420 50 ARG A CA 406 C C . ARG A 50 ? 0.1325 0.1469 0.1098 0.0055 -0.0209 -0.0025 50 ARG A C 407 O O . ARG A 50 ? 0.1803 0.1337 0.1279 -0.0011 -0.0416 0.0002 50 ARG A O 408 C CB . ARG A 50 ? 0.2303 0.1385 0.1794 -0.0055 -0.0018 0.0276 50 ARG A CB 409 C CG . ARG A 50 ? 0.2171 0.1646 0.2219 0.0007 0.0052 0.0199 50 ARG A CG 410 C CD . ARG A 50 ? 0.2016 0.1487 0.2316 -0.0063 0.0141 0.0253 50 ARG A CD 411 N NE . ARG A 50 ? 0.2513 0.1190 0.2599 0.0042 0.0012 0.0180 50 ARG A NE 412 C CZ . ARG A 50 ? 0.1649 0.1870 0.2472 -0.0298 -0.0087 0.0132 50 ARG A CZ 413 N NH1 . ARG A 50 ? 0.1933 0.2293 0.3097 0.0212 0.0136 0.0092 50 ARG A NH1 414 N NH2 . ARG A 50 ? 0.1844 0.2724 0.2574 -0.0536 -0.0158 0.0559 50 ARG A NH2 415 N N . SER A 51 ? 0.1144 0.1640 0.1203 0.0362 -0.0262 -0.0036 51 SER A N 416 C CA . SER A 51 ? 0.0997 0.1210 0.1803 -0.0249 0.0047 0.0064 51 SER A CA 417 C C . SER A 51 ? 0.1039 0.1907 0.1762 -0.0146 -0.0277 -0.0238 51 SER A C 418 O O . SER A 51 ? 0.1194 0.1690 0.1340 -0.0175 -0.0098 -0.0005 51 SER A O 419 C CB . SER A 51 ? 0.1478 0.1195 0.1641 -0.0186 0.0363 0.0144 51 SER A CB 420 O OG . SER A 51 ? 0.1479 0.1382 0.1632 0.0150 0.0092 -0.0032 51 SER A OG 421 N N . MET A 52 ? 0.1115 0.1835 0.1676 -0.0061 0.0011 0.0240 52 MET A N 422 C CA . MET A 52 ? 0.1130 0.2083 0.1978 -0.0259 -0.0122 0.0229 52 MET A CA 423 C C . MET A 52 ? 0.1861 0.2078 0.1634 -0.0053 0.0075 0.0160 52 MET A C 424 O O . MET A 52 ? 0.1641 0.2392 0.2510 -0.0128 0.0044 0.0063 52 MET A O 425 C CB . MET A 52 ? 0.0986 0.1749 0.1975 -0.0053 -0.0098 0.0247 52 MET A CB 426 C CG . MET A 52 ? 0.1689 0.2070 0.1446 0.0012 -0.0198 -0.0031 52 MET A CG 427 S SD . MET A 52 ? 0.1519 0.2399 0.2074 0.0023 -0.0049 0.0305 52 MET A SD 428 C CE . MET A 52 ? 0.2306 0.1997 0.2074 -0.0134 0.0259 -0.0110 52 MET A CE 429 N N . GLY A 53 ? 0.1874 0.1737 0.2073 -0.0060 0.0203 0.0366 53 GLY A N 430 C CA . GLY A 53 ? 0.2082 0.1804 0.1478 0.0101 0.0206 0.0017 53 GLY A CA 431 C C . GLY A 53 ? 0.2184 0.1803 0.1726 0.0048 0.0090 -0.0060 53 GLY A C 432 O O . GLY A 53 ? 0.2849 0.1641 0.1970 -0.0302 -0.0068 0.0102 53 GLY A O 433 N N . LYS A 54 ? 0.1328 0.1922 0.1443 -0.0033 -0.0075 0.0126 54 LYS A N 434 C CA . LYS A 54 ? 0.1252 0.2006 0.1580 -0.0008 -0.0320 -0.0328 54 LYS A CA 435 C C . LYS A 54 ? 0.1234 0.1491 0.1329 0.0115 0.0040 0.0020 54 LYS A C 436 O O . LYS A 54 ? 0.1059 0.1916 0.2070 -0.0146 -0.0208 -0.0342 54 LYS A O 437 C CB . LYS A 54 ? 0.1070 0.2339 0.1528 -0.0291 -0.0270 0.0216 54 LYS A CB 438 C CG . LYS A 54 ? 0.0932 0.2528 0.1507 0.0040 -0.0333 -0.0066 54 LYS A CG 439 C CD . LYS A 54 ? 0.0941 0.2489 0.1735 -0.0187 -0.0312 0.0002 54 LYS A CD 440 C CE . LYS A 54 ? 0.0993 0.2472 0.2277 -0.0034 -0.0072 0.0084 54 LYS A CE 441 N NZ . LYS A 54 ? 0.1912 0.2468 0.1990 -0.0248 -0.0332 0.0289 54 LYS A NZ 442 N N . CYS A 55 ? 0.0838 0.1521 0.1593 0.0067 0.0078 0.0197 55 CYS A N 443 C CA . CYS A 55 ? 0.0961 0.1210 0.1956 0.0157 -0.0223 0.0469 55 CYS A CA 444 C C . CYS A 55 ? 0.1653 0.0907 0.1291 -0.0229 -0.0175 -0.0031 55 CYS A C 445 O O . CYS A 55 ? 0.1091 0.1767 0.1548 -0.0293 -0.0435 0.0345 55 CYS A O 446 C CB . CYS A 55 ? 0.1201 0.1484 0.1607 0.0162 -0.0205 0.0290 55 CYS A CB 447 S SG . CYS A 55 ? 0.1766 0.1666 0.1959 -0.0210 -0.0473 0.0448 55 CYS A SG 448 N N . MET A 56 ? 0.0970 0.1483 0.1497 -0.0163 -0.0090 0.0404 56 MET A N 449 C CA . MET A 56 ? 0.1286 0.1511 0.1249 -0.0275 -0.0043 0.0018 56 MET A CA 450 C C . MET A 56 ? 0.1481 0.1379 0.1496 -0.0107 -0.0238 -0.0092 56 MET A C 451 O O . MET A 56 ? 0.1487 0.1384 0.1630 0.0113 -0.0094 -0.0016 56 MET A O 452 C CB . MET A 56 ? 0.0671 0.1406 0.1091 -0.0120 0.0020 -0.0160 56 MET A CB 453 C CG . MET A 56 ? 0.0985 0.1672 0.1288 -0.0604 0.0037 -0.0083 56 MET A CG 454 S SD . MET A 56 ? 0.1281 0.1635 0.1690 -0.0108 -0.0224 0.0025 56 MET A SD 455 C CE . MET A 56 ? 0.1236 0.2039 0.2262 0.0268 -0.0086 -0.0149 56 MET A CE 456 N N . THR A 57 ? 0.1266 0.1431 0.1364 0.0204 -0.0238 -0.0052 57 THR A N 457 C CA . THR A 57 ? 0.0914 0.1342 0.1242 -0.0290 -0.0342 -0.0047 57 THR A CA 458 C C . THR A 57 ? 0.1450 0.1387 0.1250 0.0021 0.0012 -0.0003 57 THR A C 459 O O . THR A 57 ? 0.1177 0.1680 0.1722 0.0192 -0.0171 0.0230 57 THR A O 460 C CB . THR A 57 ? 0.1437 0.1436 0.1460 -0.0495 0.0021 0.0062 57 THR A CB 461 O OG1 . THR A 57 ? 0.1361 0.1374 0.1718 -0.0054 -0.0308 0.0424 57 THR A OG1 462 C CG2 . THR A 57 ? 0.1593 0.1324 0.2041 -0.0397 -0.0227 -0.0415 57 THR A CG2 463 N N . ALA A 58 ? 0.1200 0.1698 0.1120 -0.0204 0.0091 0.0001 58 ALA A N 464 C CA . ALA A 58 ? 0.1109 0.1456 0.1305 -0.0149 0.0028 -0.0129 58 ALA A CA 465 C C . ALA A 58 ? 0.1537 0.1931 0.1788 0.0011 -0.0469 -0.0163 58 ALA A C 466 O O . ALA A 58 ? 0.1779 0.1916 0.1650 0.0056 -0.0436 -0.0158 58 ALA A O 467 C CB . ALA A 58 ? 0.1003 0.1977 0.1790 0.0026 0.0167 -0.0088 58 ALA A CB 468 N N . ASN A 59 ? 0.1899 0.2106 0.2137 -0.0271 -0.0858 -0.0209 59 ASN A N 469 C CA . ASN A 59 ? 0.1645 0.2146 0.1782 0.0420 -0.0629 0.0008 59 ASN A CA 470 C C . ASN A 59 ? 0.2023 0.2044 0.1998 -0.0166 -0.0270 0.0282 59 ASN A C 471 O O . ASN A 59 ? 0.2275 0.2326 0.1517 -0.0106 0.0048 0.0325 59 ASN A O 472 C CB . ASN A 59 ? 0.1140 0.1890 0.1911 0.0260 -0.0308 -0.0091 59 ASN A CB 473 C CG . ASN A 59 ? 0.1844 0.2309 0.2006 -0.0154 0.0038 0.0041 59 ASN A CG 474 O OD1 . ASN A 59 ? 0.2069 0.2305 0.2263 -0.0079 -0.0232 0.0120 59 ASN A OD1 475 N ND2 . ASN A 59 ? 0.1445 0.2765 0.2286 -0.0241 -0.0216 0.0125 59 ASN A ND2 476 N N . GLY A 60 ? 0.2313 0.2380 0.2596 0.0344 -0.0061 -0.0502 60 GLY A N 477 C CA . GLY A 60 ? 0.1927 0.2867 0.2483 0.0035 -0.0067 0.0017 60 GLY A CA 478 C C . GLY A 60 ? 0.2141 0.2613 0.1927 -0.0116 -0.0096 -0.0339 60 GLY A C 479 O O . GLY A 60 ? 0.2201 0.2007 0.1855 0.0512 -0.0185 -0.0195 60 GLY A O 480 N N . LEU A 61 ? 0.1879 0.3002 0.2367 0.0018 -0.0171 -0.0020 61 LEU A N 481 C CA . LEU A 61 ? 0.1893 0.2275 0.2435 -0.0214 -0.0124 0.0164 61 LEU A CA 482 C C . LEU A 61 ? 0.2217 0.2512 0.2107 0.0195 -0.0120 -0.0210 61 LEU A C 483 O O . LEU A 61 ? 0.2116 0.2899 0.3474 0.0318 0.0189 -0.0306 61 LEU A O 484 C CB . LEU A 61 ? 0.2459 0.2182 0.2741 0.0106 -0.0090 -0.0012 61 LEU A CB 485 C CG . LEU A 61 ? 0.3331 0.2690 0.3189 0.0200 0.0173 -0.0018 61 LEU A CG 486 C CD1 . LEU A 61 ? 0.3544 0.2725 0.3379 0.0141 0.0148 0.0018 61 LEU A CD1 487 C CD2 . LEU A 61 ? 0.1648 0.3543 0.2280 0.0276 -0.0043 -0.0242 61 LEU A CD2 488 N N . ASN A 62 ? 0.2361 0.2553 0.2371 -0.0091 -0.0103 0.0117 62 ASN A N 489 C CA . ASN A 62 ? 0.2226 0.2731 0.2315 0.0242 -0.0166 0.0079 62 ASN A CA 490 C C . ASN A 62 ? 0.2570 0.2705 0.2534 -0.0026 -0.0100 -0.0085 62 ASN A C 491 O O . ASN A 62 ? 0.1939 0.2770 0.2693 0.0025 -0.0208 -0.0306 62 ASN A O 492 C CB . ASN A 62 ? 0.3703 0.3251 0.2436 -0.0406 -0.0064 -0.0238 62 ASN A CB 493 C CG . ASN A 62 ? 0.4916 0.3932 0.4275 0.0131 -0.0030 -0.0336 62 ASN A CG 494 O OD1 . ASN A 62 ? 0.5986 0.5959 0.5812 -0.0516 -0.0166 -0.0038 62 ASN A OD1 495 N ND2 . ASN A 62 ? 0.5236 0.4708 0.5268 -0.0197 -0.0068 -0.0383 62 ASN A ND2 496 N N . ASN A 63 ? 0.2351 0.2660 0.2028 -0.0116 -0.0210 -0.0140 63 ASN A N 497 C CA . ASN A 63 ? 0.2064 0.2615 0.2547 0.0002 0.0091 0.0010 63 ASN A CA 498 C C . ASN A 63 ? 0.2597 0.2583 0.2117 0.0107 -0.0009 -0.0214 63 ASN A C 499 O O . ASN A 63 ? 0.2630 0.3160 0.2582 0.0268 -0.0194 -0.0420 63 ASN A O 500 C CB . ASN A 63 ? 0.2658 0.3093 0.1628 -0.0282 0.0212 -0.0232 63 ASN A CB 501 C CG . ASN A 63 ? 0.3112 0.3466 0.3111 -0.0142 0.0148 -0.0262 63 ASN A CG 502 O OD1 . ASN A 63 ? 0.1772 0.4595 0.2196 -0.0227 -0.0070 -0.0197 63 ASN A OD1 503 N ND2 . ASN A 63 ? 0.3581 0.3660 0.2928 -0.0432 -0.0055 0.0135 63 ASN A ND2 504 N N . GLY A 64 ? 0.1836 0.2042 0.1696 -0.0324 -0.0162 -0.0202 64 GLY A N 505 C CA . GLY A 64 ? 0.1657 0.2454 0.2110 -0.0191 0.0089 -0.0134 64 GLY A CA 506 C C . GLY A 64 ? 0.1985 0.2172 0.1956 -0.0196 -0.0060 -0.0353 64 GLY A C 507 O O . GLY A 64 ? 0.2173 0.2220 0.1581 -0.0143 0.0018 -0.0221 64 GLY A O 508 N N . SER A 65 ? 0.1735 0.2292 0.1672 -0.0390 -0.0002 -0.0340 65 SER A N 509 C CA . SER A 65 ? 0.1319 0.1564 0.1432 -0.0162 0.0117 -0.0274 65 SER A CA 510 C C . SER A 65 ? 0.1258 0.2281 0.1189 -0.0091 0.0033 -0.0241 65 SER A C 511 O O . SER A 65 ? 0.1493 0.1827 0.1877 -0.0116 -0.0419 -0.0264 65 SER A O 512 C CB . SER A 65 ? 0.1634 0.1486 0.1587 -0.0008 -0.0269 -0.0524 65 SER A CB 513 O OG . SER A 65 ? 0.2224 0.2124 0.1823 0.0221 -0.0197 -0.0496 65 SER A OG 514 N N . ASN A 66 ? 0.1246 0.1816 0.1628 0.0194 0.0069 0.0156 66 ASN A N 515 C CA . ASN A 66 ? 0.1023 0.2088 0.1113 0.0114 -0.0124 0.0006 66 ASN A CA 516 C C . ASN A 66 ? 0.1698 0.1546 0.1277 0.0142 -0.0062 0.0159 66 ASN A C 517 O O . ASN A 66 ? 0.2108 0.1849 0.1226 -0.0092 -0.0193 -0.0200 66 ASN A O 518 C CB . ASN A 66 ? 0.1235 0.2124 0.1641 0.0189 -0.0243 0.0324 66 ASN A CB 519 C CG . ASN A 66 ? 0.2047 0.2028 0.1756 0.0407 -0.0133 0.0055 66 ASN A CG 520 O OD1 . ASN A 66 ? 0.2036 0.2033 0.2866 0.0027 -0.0400 -0.0192 66 ASN A OD1 521 N ND2 . ASN A 66 ? 0.2638 0.2497 0.2313 0.0603 0.0191 -0.0022 66 ASN A ND2 522 N N . ILE A 67 ? 0.1108 0.1813 0.1355 -0.0091 0.0143 0.0105 67 ILE A N 523 C CA . ILE A 67 ? 0.0862 0.1733 0.1210 -0.0071 -0.0010 -0.0187 67 ILE A CA 524 C C . ILE A 67 ? 0.1305 0.1451 0.1215 0.0111 -0.0017 0.0228 67 ILE A C 525 O O . ILE A 67 ? 0.1084 0.1355 0.1383 0.0033 0.0109 0.0113 67 ILE A O 526 C CB . ILE A 67 ? 0.0870 0.1291 0.1370 0.0042 0.0098 -0.0089 67 ILE A CB 527 C CG1 . ILE A 67 ? 0.0792 0.1595 0.1021 -0.0207 0.0330 -0.0185 67 ILE A CG1 528 C CG2 . ILE A 67 ? 0.1455 0.1824 0.0800 0.0023 -0.0093 0.0102 67 ILE A CG2 529 C CD1 . ILE A 67 ? 0.1037 0.1820 0.1896 -0.0642 -0.0340 -0.0060 67 ILE A CD1 530 N N . VAL A 68 ? 0.0615 0.1490 0.1172 0.0018 0.0039 -0.0100 68 VAL A N 531 C CA . VAL A 68 ? 0.0640 0.2059 0.0885 -0.0183 -0.0185 -0.0053 68 VAL A CA 532 C C . VAL A 68 ? 0.1369 0.1670 0.1192 -0.0137 -0.0102 -0.0076 68 VAL A C 533 O O . VAL A 68 ? 0.0837 0.2085 0.1414 0.0041 -0.0032 0.0383 68 VAL A O 534 C CB . VAL A 68 ? 0.0923 0.1509 0.1141 0.0027 -0.0382 0.0210 68 VAL A CB 535 C CG1 . VAL A 68 ? 0.0937 0.1971 0.1010 0.0224 -0.0212 0.0065 68 VAL A CG1 536 C CG2 . VAL A 68 ? 0.1923 0.0843 0.2143 0.0060 -0.0470 -0.0117 68 VAL A CG2 537 N N . ILE A 69 ? 0.1048 0.1753 0.1261 -0.0143 0.0108 0.0224 69 ILE A N 538 C CA . ILE A 69 ? 0.1298 0.1440 0.1163 0.0016 -0.0036 0.0162 69 ILE A CA 539 C C . ILE A 69 ? 0.1547 0.1677 0.1678 0.0072 0.0122 0.0070 69 ILE A C 540 O O . ILE A 69 ? 0.1545 0.1773 0.1630 -0.0244 -0.0218 0.0208 69 ILE A O 541 C CB . ILE A 69 ? 0.1407 0.1772 0.1222 -0.0233 0.0043 -0.0319 69 ILE A CB 542 C CG1 . ILE A 69 ? 0.1913 0.2141 0.1964 -0.0041 -0.0148 0.0459 69 ILE A CG1 543 C CG2 . ILE A 69 ? 0.1192 0.2166 0.1893 -0.0162 -0.0112 0.0281 69 ILE A CG2 544 C CD1 . ILE A 69 ? 0.2212 0.2373 0.2386 -0.0377 -0.0447 0.0001 69 ILE A CD1 545 N N . PHE A 70 ? 0.1198 0.1196 0.1379 0.0057 -0.0235 -0.0008 70 PHE A N 546 C CA . PHE A 70 ? 0.1522 0.1031 0.1674 -0.0030 0.0055 -0.0057 70 PHE A CA 547 C C . PHE A 70 ? 0.1502 0.1564 0.1914 -0.0020 0.0016 0.0233 70 PHE A C 548 O O . PHE A 70 ? 0.1475 0.1549 0.1752 -0.0192 -0.0298 0.0165 70 PHE A O 549 C CB . PHE A 70 ? 0.1645 0.1677 0.1611 -0.0107 -0.0150 -0.0439 70 PHE A CB 550 C CG . PHE A 70 ? 0.1496 0.1864 0.1482 0.0028 -0.0088 -0.0126 70 PHE A CG 551 C CD1 . PHE A 70 ? 0.1381 0.2105 0.1275 -0.0128 -0.0215 -0.0073 70 PHE A CD1 552 C CD2 . PHE A 70 ? 0.2021 0.2225 0.1997 -0.0591 -0.0103 -0.0358 70 PHE A CD2 553 C CE1 . PHE A 70 ? 0.1674 0.2651 0.2162 0.0059 -0.0313 -0.0383 70 PHE A CE1 554 C CE2 . PHE A 70 ? 0.1878 0.2847 0.1803 -0.0335 -0.0641 -0.0030 70 PHE A CE2 555 C CZ . PHE A 70 ? 0.2285 0.2748 0.1527 -0.0154 -0.0543 -0.0092 70 PHE A CZ 556 N N . ASN A 71 ? 0.1464 0.1536 0.1638 -0.0055 0.0003 0.0333 71 ASN A N 557 C CA . ASN A 71 ? 0.1327 0.1350 0.1829 -0.0503 -0.0330 0.0401 71 ASN A CA 558 C C . ASN A 71 ? 0.1990 0.1283 0.1736 -0.0204 -0.0112 0.0033 71 ASN A C 559 O O . ASN A 71 ? 0.1458 0.1790 0.2062 -0.0163 -0.0157 0.0049 71 ASN A O 560 C CB . ASN A 71 ? 0.1807 0.1903 0.2710 -0.0556 -0.0390 0.0144 71 ASN A CB 561 C CG . ASN A 71 ? 0.2549 0.2384 0.3326 -0.0084 0.0019 0.0254 71 ASN A CG 562 O OD1 . ASN A 71 ? 0.1539 0.1977 0.3124 -0.0348 0.0165 0.0511 71 ASN A OD1 563 N ND2 . ASN A 71 ? 0.2195 0.2425 0.2880 -0.0357 0.0579 0.0877 71 ASN A ND2 564 N N . CYS A 72 ? 0.1575 0.1807 0.2063 -0.0106 -0.0315 0.0246 72 CYS A N 565 C CA . CYS A 72 ? 0.1849 0.1360 0.1842 -0.0111 -0.0261 0.0075 72 CYS A CA 566 C C . CYS A 72 ? 0.2185 0.1452 0.2717 -0.0096 -0.0130 0.0014 72 CYS A C 567 O O . CYS A 72 ? 0.2398 0.1779 0.2743 -0.0109 -0.0046 -0.0078 72 CYS A O 568 C CB . CYS A 72 ? 0.2428 0.1653 0.1928 -0.0003 -0.0378 0.0063 72 CYS A CB 569 S SG . CYS A 72 ? 0.1945 0.1771 0.1870 -0.0356 -0.0391 0.0234 72 CYS A SG 570 N N A SER A 73 ? 0.2266 0.1817 0.2587 -0.0161 -0.0222 0.0179 73 SER A N 571 N N B SER A 73 ? 0.2225 0.1742 0.2510 -0.0157 -0.0226 0.0197 73 SER A N 572 C CA A SER A 73 ? 0.2709 0.2129 0.2813 0.0043 -0.0056 0.0068 73 SER A CA 573 C CA B SER A 73 ? 0.2520 0.2034 0.2725 0.0021 -0.0012 0.0094 73 SER A CA 574 C C A SER A 73 ? 0.2261 0.2436 0.2921 -0.0070 -0.0141 -0.0024 73 SER A C 575 C C B SER A 73 ? 0.2253 0.2411 0.2907 -0.0158 -0.0139 -0.0024 73 SER A C 576 O O A SER A 73 ? 0.2391 0.2853 0.3352 0.0014 -0.0223 -0.0134 73 SER A O 577 O O B SER A 73 ? 0.2694 0.3158 0.3402 0.0009 0.0104 -0.0113 73 SER A O 578 C CB A SER A 73 ? 0.2840 0.3063 0.3007 -0.0136 0.0100 -0.0116 73 SER A CB 579 C CB B SER A 73 ? 0.2430 0.2838 0.2698 -0.0069 0.0097 -0.0123 73 SER A CB 580 O OG A SER A 73 ? 0.3481 0.2936 0.2920 0.0194 -0.0071 0.0188 73 SER A OG 581 O OG B SER A 73 ? 0.2396 0.2706 0.2530 -0.0171 -0.0021 0.0105 73 SER A OG 582 N N . THR A 74 ? 0.2819 0.1530 0.2683 -0.0664 -0.0089 -0.0051 74 THR A N 583 C CA . THR A 74 ? 0.1877 0.2085 0.2436 -0.0143 -0.0075 -0.0086 74 THR A CA 584 C C . THR A 74 ? 0.1879 0.1875 0.2461 -0.0131 -0.0230 -0.0333 74 THR A C 585 O O . THR A 74 ? 0.2498 0.2639 0.2669 -0.0790 -0.0072 -0.0348 74 THR A O 586 C CB . THR A 74 ? 0.1970 0.2272 0.2523 0.0073 -0.0035 0.0358 74 THR A CB 587 O OG1 . THR A 74 ? 0.2304 0.2260 0.2564 -0.0230 -0.0131 0.0132 74 THR A OG1 588 C CG2 . THR A 74 ? 0.2152 0.3344 0.2927 -0.0216 0.0326 -0.0020 74 THR A CG2 589 N N . ALA A 75 ? 0.1928 0.1477 0.2507 -0.0362 -0.0147 -0.0010 75 ALA A N 590 C CA . ALA A 75 ? 0.1579 0.2077 0.2597 -0.0414 -0.0296 -0.0222 75 ALA A CA 591 C C . ALA A 75 ? 0.1935 0.1792 0.2236 -0.0352 -0.0001 -0.0378 75 ALA A C 592 O O . ALA A 75 ? 0.1895 0.2225 0.2926 -0.0123 0.0135 0.0131 75 ALA A O 593 C CB . ALA A 75 ? 0.2079 0.1704 0.2457 -0.0252 -0.0252 -0.0392 75 ALA A CB 594 N N . ALA A 76 ? 0.2143 0.1875 0.1897 -0.0226 -0.0070 -0.0321 76 ALA A N 595 C CA . ALA A 76 ? 0.1923 0.2232 0.2645 -0.0009 -0.0041 -0.0071 76 ALA A CA 596 C C . ALA A 76 ? 0.1959 0.2099 0.2812 -0.0163 0.0005 0.0173 76 ALA A C 597 O O . ALA A 76 ? 0.1655 0.2009 0.2920 -0.0196 -0.0062 0.0075 76 ALA A O 598 C CB . ALA A 76 ? 0.2445 0.3086 0.2840 -0.0328 0.0221 -0.0032 76 ALA A CB 599 N N . GLU A 77 ? 0.1915 0.2046 0.3014 0.0041 -0.0032 -0.0113 77 GLU A N 600 C CA . GLU A 77 ? 0.2425 0.1842 0.2764 0.0022 -0.0176 0.0342 77 GLU A CA 601 C C . GLU A 77 ? 0.1968 0.1646 0.2635 0.0226 0.0006 -0.0103 77 GLU A C 602 O O . GLU A 77 ? 0.1966 0.2278 0.2471 -0.0166 -0.0410 -0.0203 77 GLU A O 603 C CB . GLU A 77 ? 0.3457 0.2055 0.3448 0.0267 0.0012 0.0223 77 GLU A CB 604 C CG . GLU A 77 ? 0.4672 0.4540 0.4215 -0.0050 -0.0405 0.0052 77 GLU A CG 605 C CD . GLU A 77 ? 0.5103 0.5508 0.5515 0.0044 0.0139 -0.0008 77 GLU A CD 606 O OE1 . GLU A 77 ? 0.5239 0.4669 0.4887 -0.0030 -0.0175 0.0206 77 GLU A OE1 607 O OE2 . GLU A 77 ? 0.6113 0.6618 0.6016 -0.0023 -0.0128 0.0018 77 GLU A OE2 608 N N A ASN A 78 ? 0.1729 0.1739 0.2246 0.0048 -0.0120 0.0131 78 ASN A N 609 N N B ASN A 78 ? 0.1850 0.1845 0.2343 0.0077 -0.0096 0.0116 78 ASN A N 610 C CA A ASN A 78 ? 0.1811 0.1474 0.2012 0.0047 0.0007 0.0066 78 ASN A CA 611 C CA B ASN A 78 ? 0.1976 0.1679 0.2397 0.0036 -0.0001 0.0066 78 ASN A CA 612 C C A ASN A 78 ? 0.1879 0.1583 0.1752 0.0054 -0.0182 -0.0023 78 ASN A C 613 C C B ASN A 78 ? 0.1943 0.1750 0.2282 0.0056 -0.0103 -0.0037 78 ASN A C 614 O O A ASN A 78 ? 0.1513 0.1741 0.1408 -0.0005 -0.0200 -0.0081 78 ASN A O 615 O O B ASN A 78 ? 0.1031 0.2111 0.2211 0.0154 0.0105 -0.0017 78 ASN A O 616 C CB A ASN A 78 ? 0.1966 0.2076 0.1704 0.0188 -0.0067 -0.0045 78 ASN A CB 617 C CB B ASN A 78 ? 0.2385 0.2555 0.2481 0.0242 0.0123 -0.0177 78 ASN A CB 618 C CG A ASN A 78 ? 0.2454 0.2349 0.2655 0.0058 -0.0037 -0.0009 78 ASN A CG 619 C CG B ASN A 78 ? 0.2607 0.2641 0.2826 -0.0079 -0.0043 0.0112 78 ASN A CG 620 O OD1 A ASN A 78 ? 0.3263 0.2767 0.3188 -0.0041 0.0098 -0.0453 78 ASN A OD1 621 O OD1 B ASN A 78 ? 0.4082 0.4102 0.3952 0.0068 0.0315 -0.0315 78 ASN A OD1 622 N ND2 A ASN A 78 ? 0.2423 0.1643 0.2446 -0.0053 0.0141 0.0111 78 ASN A ND2 623 N ND2 B ASN A 78 ? 0.2408 0.2286 0.2337 -0.0123 -0.0188 -0.0192 78 ASN A ND2 624 N N . ALA A 79 ? 0.1757 0.1259 0.1945 0.0231 -0.0164 -0.0118 79 ALA A N 625 C CA . ALA A 79 ? 0.1260 0.1753 0.1901 0.0155 -0.0394 -0.0104 79 ALA A CA 626 C C . ALA A 79 ? 0.1467 0.1124 0.1232 -0.0001 -0.0100 0.0286 79 ALA A C 627 O O . ALA A 79 ? 0.1529 0.1247 0.1761 0.0061 -0.0346 0.0073 79 ALA A O 628 C CB . ALA A 79 ? 0.1241 0.2131 0.1813 0.0081 -0.0565 -0.0091 79 ALA A CB 629 N N . ILE A 80 ? 0.1371 0.1464 0.1165 -0.0116 0.0062 0.0011 80 ILE A N 630 C CA . ILE A 80 ? 0.1057 0.1606 0.1214 -0.0031 -0.0145 0.0012 80 ILE A CA 631 C C . ILE A 80 ? 0.0921 0.1578 0.1338 -0.0088 -0.0006 0.0039 80 ILE A C 632 O O . ILE A 80 ? 0.1415 0.1543 0.1640 0.0094 -0.0377 0.0090 80 ILE A O 633 C CB . ILE A 80 ? 0.1267 0.1373 0.1409 0.0006 -0.0071 0.0338 80 ILE A CB 634 C CG1 . ILE A 80 ? 0.1793 0.1513 0.1951 -0.0308 -0.0344 0.0613 80 ILE A CG1 635 C CG2 . ILE A 80 ? 0.1771 0.2420 0.1900 -0.0396 -0.0593 -0.0030 80 ILE A CG2 636 C CD1 . ILE A 80 ? 0.1814 0.1896 0.1952 -0.0311 0.0042 0.0283 80 ILE A CD1 637 N N . LYS A 81 ? 0.0998 0.1800 0.2342 -0.0130 -0.0323 0.0217 81 LYS A N 638 C CA . LYS A 81 ? 0.1578 0.1482 0.1821 -0.0091 -0.0532 -0.0143 81 LYS A CA 639 C C . LYS A 81 ? 0.1284 0.1726 0.1531 0.0115 -0.0248 0.0009 81 LYS A C 640 O O . LYS A 81 ? 0.1165 0.2273 0.1965 -0.0207 -0.0130 -0.0005 81 LYS A O 641 C CB . LYS A 81 ? 0.1610 0.2064 0.2892 0.0289 -0.0361 0.0241 81 LYS A CB 642 C CG . LYS A 81 ? 0.2674 0.2349 0.3496 -0.0163 -0.0409 -0.0009 81 LYS A CG 643 C CD . LYS A 81 ? 0.4389 0.4183 0.4045 -0.0233 0.0018 -0.0033 81 LYS A CD 644 C CE . LYS A 81 ? 0.5993 0.5175 0.6476 0.0150 0.0059 0.0242 81 LYS A CE 645 N NZ . LYS A 81 ? 0.6886 0.6338 0.6870 -0.0101 0.0002 -0.0246 81 LYS A NZ 646 N N . TRP A 82 ? 0.1451 0.1082 0.1798 -0.0216 -0.0224 -0.0131 82 TRP A N 647 C CA . TRP A 82 ? 0.1272 0.1220 0.2011 -0.0154 -0.0200 -0.0040 82 TRP A CA 648 C C . TRP A 82 ? 0.1316 0.2118 0.1828 0.0072 -0.0073 -0.0101 82 TRP A C 649 O O . TRP A 82 ? 0.1808 0.2268 0.1859 -0.0398 -0.0529 0.0285 82 TRP A O 650 C CB . TRP A 82 ? 0.1144 0.1466 0.1895 -0.0013 -0.0328 -0.0087 82 TRP A CB 651 C CG . TRP A 82 ? 0.1010 0.1194 0.1539 -0.0282 -0.0214 -0.0103 82 TRP A CG 652 C CD1 . TRP A 82 ? 0.0679 0.1195 0.2088 -0.0036 -0.0162 -0.0114 82 TRP A CD1 653 C CD2 . TRP A 82 ? 0.1285 0.1399 0.1676 0.0028 -0.0174 -0.0093 82 TRP A CD2 654 N NE1 . TRP A 82 ? 0.1678 0.1750 0.2034 0.0050 -0.0433 0.0061 82 TRP A NE1 655 C CE2 . TRP A 82 ? 0.1405 0.1670 0.1933 0.0099 -0.0146 -0.0100 82 TRP A CE2 656 C CE3 . TRP A 82 ? 0.1629 0.1677 0.1711 -0.0281 0.0062 -0.0011 82 TRP A CE3 657 C CZ2 . TRP A 82 ? 0.1546 0.1752 0.1716 -0.0112 0.0174 0.0012 82 TRP A CZ2 658 C CZ3 . TRP A 82 ? 0.1145 0.1289 0.1683 -0.0041 -0.0211 -0.0291 82 TRP A CZ3 659 C CH2 . TRP A 82 ? 0.1289 0.1332 0.1807 -0.0011 -0.0212 0.0027 82 TRP A CH2 660 N N . GLU A 83 ? 0.1688 0.1726 0.1417 -0.0549 -0.0071 0.0012 83 GLU A N 661 C CA . GLU A 83 ? 0.1807 0.1596 0.1967 -0.0538 -0.0374 -0.0120 83 GLU A CA 662 C C . GLU A 83 ? 0.1684 0.1326 0.1597 -0.0251 -0.0151 0.0008 83 GLU A C 663 O O . GLU A 83 ? 0.1526 0.1568 0.1593 -0.0333 -0.0146 0.0134 83 GLU A O 664 C CB . GLU A 83 ? 0.2351 0.1423 0.2655 -0.0155 -0.0579 0.0122 83 GLU A CB 665 C CG . GLU A 83 ? 0.3241 0.1917 0.3637 -0.0139 -0.0513 0.0017 83 GLU A CG 666 C CD . GLU A 83 ? 0.2899 0.1972 0.3092 -0.0251 -0.0305 0.0241 83 GLU A CD 667 O OE1 . GLU A 83 ? 0.3571 0.3620 0.4552 -0.0416 -0.0771 0.0448 83 GLU A OE1 668 O OE2 . GLU A 83 ? 0.2897 0.2404 0.3953 -0.0266 -0.0513 0.0811 83 GLU A OE2 669 N N . VAL A 84 ? 0.1504 0.1735 0.1884 -0.0261 -0.0110 -0.0237 84 VAL A N 670 C CA . VAL A 84 ? 0.1222 0.1626 0.1830 -0.0169 -0.0131 -0.0181 84 VAL A CA 671 C C . VAL A 84 ? 0.1246 0.1339 0.1061 0.0002 0.0091 0.0061 84 VAL A C 672 O O . VAL A 84 ? 0.1390 0.2002 0.1332 0.0060 -0.0179 0.0165 84 VAL A O 673 C CB . VAL A 84 ? 0.1397 0.2120 0.1983 0.0002 -0.0245 -0.0202 84 VAL A CB 674 C CG1 . VAL A 84 ? 0.2669 0.1987 0.2682 -0.0074 0.0084 -0.0465 84 VAL A CG1 675 C CG2 . VAL A 84 ? 0.1524 0.3113 0.2810 -0.0013 -0.0377 -0.0206 84 VAL A CG2 676 N N . PRO A 85 ? 0.1190 0.1225 0.1108 0.0041 -0.0027 0.0024 85 PRO A N 677 C CA . PRO A 85 ? 0.0923 0.1403 0.1414 -0.0147 -0.0011 0.0079 85 PRO A CA 678 C C . PRO A 85 ? 0.0994 0.1417 0.1565 0.0094 0.0006 0.0076 85 PRO A C 679 O O . PRO A 85 ? 0.1010 0.1835 0.1665 0.0296 -0.0227 -0.0099 85 PRO A O 680 C CB . PRO A 85 ? 0.1458 0.1393 0.1760 -0.0094 0.0156 -0.0207 85 PRO A CB 681 C CG . PRO A 85 ? 0.1344 0.1388 0.1438 0.0325 0.0098 -0.0271 85 PRO A CG 682 C CD . PRO A 85 ? 0.1511 0.1687 0.1354 -0.0081 0.0240 -0.0068 85 PRO A CD 683 N N . ILE A 86 ? 0.1277 0.1520 0.1250 -0.0107 -0.0388 -0.0070 86 ILE A N 684 C CA . ILE A 86 ? 0.0896 0.1334 0.1215 0.0008 -0.0486 -0.0132 86 ILE A CA 685 C C . ILE A 86 ? 0.1163 0.1605 0.1619 0.0084 -0.0375 -0.0059 86 ILE A C 686 O O . ILE A 86 ? 0.2289 0.1897 0.1823 0.0283 -0.0426 -0.0452 86 ILE A O 687 C CB . ILE A 86 ? 0.1274 0.1321 0.1622 -0.0054 -0.0718 0.0059 86 ILE A CB 688 C CG1 . ILE A 86 ? 0.1749 0.1915 0.2384 0.0158 -0.0090 0.0048 86 ILE A CG1 689 C CG2 . ILE A 86 ? 0.2248 0.1660 0.1988 -0.0159 -0.0472 0.0348 86 ILE A CG2 690 C CD1 . ILE A 86 ? 0.2526 0.2735 0.3068 0.0203 -0.0750 -0.0049 86 ILE A CD1 691 N N . ASP A 87 ? 0.1820 0.1204 0.1600 -0.0163 -0.0446 0.0188 87 ASP A N 692 C CA . ASP A 87 ? 0.2087 0.1229 0.1811 0.0004 -0.0466 0.0231 87 ASP A CA 693 C C . ASP A 87 ? 0.1800 0.1833 0.2218 -0.0096 -0.0329 0.0051 87 ASP A C 694 O O . ASP A 87 ? 0.2655 0.2073 0.2346 -0.0168 -0.0467 0.0444 87 ASP A O 695 C CB . ASP A 87 ? 0.2781 0.1599 0.2205 -0.0536 -0.0017 0.0318 87 ASP A CB 696 C CG . ASP A 87 ? 0.2006 0.2098 0.2163 0.0212 -0.0310 0.0363 87 ASP A CG 697 O OD1 . ASP A 87 ? 0.2110 0.2411 0.1719 -0.0205 0.0039 0.0119 87 ASP A OD1 698 O OD2 . ASP A 87 ? 0.3901 0.3555 0.3144 -0.0058 0.0626 -0.0185 87 ASP A OD2 699 N N . GLY A 88 ? 0.1242 0.1639 0.2121 0.0172 -0.0454 -0.0024 88 GLY A N 700 C CA . GLY A 88 ? 0.1919 0.1767 0.2417 0.0205 -0.0416 -0.0126 88 GLY A CA 701 C C . GLY A 88 ? 0.1480 0.1534 0.2074 0.0266 -0.0297 -0.0584 88 GLY A C 702 O O . GLY A 88 ? 0.2186 0.2364 0.2076 0.0613 -0.0376 -0.0248 88 GLY A O 703 N N . SER A 89 ? 0.1328 0.1163 0.1485 0.0200 -0.0313 -0.0052 89 SER A N 704 C CA . SER A 89 ? 0.1311 0.1137 0.1449 -0.0208 -0.0182 -0.0088 89 SER A CA 705 C C . SER A 89 ? 0.1539 0.1442 0.1358 -0.0241 -0.0068 -0.0009 89 SER A C 706 O O . SER A 89 ? 0.1431 0.1758 0.1627 -0.0178 -0.0114 0.0108 89 SER A O 707 C CB . SER A 89 ? 0.1448 0.1465 0.2040 -0.0094 0.0184 -0.0070 89 SER A CB 708 O OG . SER A 89 ? 0.1467 0.1504 0.1904 -0.0092 0.0209 0.0204 89 SER A OG 709 N N . ILE A 90 ? 0.1180 0.1026 0.1745 -0.0233 -0.0256 -0.0023 90 ILE A N 710 C CA . ILE A 90 ? 0.0931 0.1571 0.1514 0.0026 -0.0080 -0.0239 90 ILE A CA 711 C C . ILE A 90 ? 0.1467 0.1251 0.1651 0.0069 -0.0146 -0.0076 90 ILE A C 712 O O . ILE A 90 ? 0.1455 0.1235 0.1772 0.0093 -0.0054 0.0009 90 ILE A O 713 C CB . ILE A 90 ? 0.1212 0.1486 0.1596 -0.0034 0.0001 -0.0312 90 ILE A CB 714 C CG1 . ILE A 90 ? 0.1427 0.1498 0.1469 0.0198 -0.0156 -0.0339 90 ILE A CG1 715 C CG2 . ILE A 90 ? 0.1667 0.1753 0.2132 -0.0269 0.0102 -0.0036 90 ILE A CG2 716 C CD1 . ILE A 90 ? 0.1242 0.1951 0.2205 0.0244 0.0192 -0.0123 90 ILE A CD1 717 N N . ILE A 91 ? 0.1489 0.1071 0.1811 -0.0017 -0.0132 -0.0337 91 ILE A N 718 C CA . ILE A 91 ? 0.1064 0.0969 0.1804 -0.0167 0.0002 -0.0139 91 ILE A CA 719 C C . ILE A 91 ? 0.1050 0.1553 0.1745 -0.0107 0.0024 -0.0264 91 ILE A C 720 O O . ILE A 91 ? 0.1443 0.2023 0.1837 -0.0147 -0.0124 0.0131 91 ILE A O 721 C CB . ILE A 91 ? 0.0759 0.1757 0.1411 0.0402 0.0103 -0.0147 91 ILE A CB 722 C CG1 . ILE A 91 ? 0.1299 0.2013 0.1470 0.0249 0.0213 -0.0070 91 ILE A CG1 723 C CG2 . ILE A 91 ? 0.2058 0.1441 0.2162 -0.0054 -0.0331 0.0186 91 ILE A CG2 724 C CD1 . ILE A 91 ? 0.1125 0.2340 0.2544 -0.0263 -0.0017 -0.0158 91 ILE A CD1 725 N N . ASN A 92 ? 0.1621 0.1289 0.1363 -0.0032 -0.0383 -0.0176 92 ASN A N 726 C CA . ASN A 92 ? 0.1179 0.1267 0.1958 0.0034 -0.0373 0.0001 92 ASN A CA 727 C C . ASN A 92 ? 0.1633 0.1625 0.1912 -0.0099 -0.0107 0.0146 92 ASN A C 728 O O . ASN A 92 ? 0.1967 0.1763 0.2448 -0.0196 0.0272 -0.0493 92 ASN A O 729 C CB . ASN A 92 ? 0.1917 0.1484 0.1504 -0.0405 -0.0298 -0.0178 92 ASN A CB 730 C CG . ASN A 92 ? 0.1671 0.1547 0.1751 -0.0228 -0.0218 0.0072 92 ASN A CG 731 O OD1 . ASN A 92 ? 0.2575 0.2201 0.2324 -0.0375 -0.0256 -0.0383 92 ASN A OD1 732 N ND2 . ASN A 92 ? 0.2087 0.1781 0.2291 -0.0305 -0.0044 0.0180 92 ASN A ND2 733 N N . PRO A 93 ? 0.1104 0.1410 0.1758 0.0251 -0.0339 -0.0231 93 PRO A N 734 C CA . PRO A 93 ? 0.1212 0.1842 0.2128 0.0432 -0.0048 0.0151 93 PRO A CA 735 C C . PRO A 93 ? 0.1920 0.2029 0.2677 -0.0166 0.0124 -0.0258 93 PRO A C 736 O O . PRO A 93 ? 0.2724 0.2079 0.3497 -0.0164 0.0648 -0.0347 93 PRO A O 737 C CB . PRO A 93 ? 0.2213 0.1621 0.1925 0.0306 -0.0056 0.0066 93 PRO A CB 738 C CG . PRO A 93 ? 0.2219 0.2684 0.2566 0.0603 -0.0077 0.0070 93 PRO A CG 739 C CD . PRO A 93 ? 0.1674 0.2025 0.1271 0.0483 -0.0131 0.0352 93 PRO A CD 740 N N . SER A 94 ? 0.2225 0.2035 0.1997 -0.0143 0.0083 -0.0355 94 SER A N 741 C CA . SER A 94 ? 0.3262 0.2232 0.2714 -0.0280 0.0332 -0.0337 94 SER A CA 742 C C . SER A 94 ? 0.3651 0.2522 0.2938 0.0023 0.0435 0.0090 94 SER A C 743 O O . SER A 94 ? 0.4351 0.2525 0.3238 0.0127 0.0624 -0.0329 94 SER A O 744 C CB . SER A 94 ? 0.3295 0.3025 0.3428 -0.0054 -0.0194 -0.0390 94 SER A CB 745 O OG . SER A 94 ? 0.4289 0.2936 0.3416 0.0032 0.0250 -0.0409 94 SER A OG 746 N N . SER A 95 ? 0.3547 0.1862 0.2510 -0.0206 0.0201 -0.0477 95 SER A N 747 C CA . SER A 95 ? 0.3283 0.2847 0.2779 -0.0005 0.0198 -0.0288 95 SER A CA 748 C C . SER A 95 ? 0.3112 0.2274 0.2587 0.0229 0.0332 -0.0297 95 SER A C 749 O O . SER A 95 ? 0.3866 0.1946 0.2634 0.0286 0.0593 -0.0019 95 SER A O 750 C CB . SER A 95 ? 0.3051 0.1768 0.2865 -0.0318 0.0169 -0.0211 95 SER A CB 751 O OG . SER A 95 ? 0.2454 0.1807 0.2998 -0.0300 -0.0031 -0.0156 95 SER A OG 752 N N . GLY A 96 ? 0.1871 0.1628 0.2232 0.0572 -0.0022 -0.0261 96 GLY A N 753 C CA . GLY A 96 ? 0.1981 0.1885 0.2516 0.0156 -0.0101 0.0107 96 GLY A CA 754 C C . GLY A 96 ? 0.1737 0.2212 0.2868 0.0121 -0.0333 0.0299 96 GLY A C 755 O O . GLY A 96 ? 0.1651 0.2674 0.2713 -0.0170 -0.0090 0.0239 96 GLY A O 756 N N . LEU A 97 ? 0.1403 0.1544 0.1483 0.0087 -0.0174 -0.0148 97 LEU A N 757 C CA . LEU A 97 ? 0.1723 0.1908 0.1184 0.0310 -0.0286 0.0031 97 LEU A CA 758 C C . LEU A 97 ? 0.1495 0.1372 0.1497 -0.0011 -0.0494 -0.0118 97 LEU A C 759 O O . LEU A 97 ? 0.1181 0.1582 0.1753 0.0069 -0.0063 -0.0341 97 LEU A O 760 C CB . LEU A 97 ? 0.1444 0.1313 0.1507 0.0205 -0.0268 -0.0432 97 LEU A CB 761 C CG . LEU A 97 ? 0.2218 0.1775 0.1282 0.0039 -0.0160 -0.0367 97 LEU A CG 762 C CD1 . LEU A 97 ? 0.2191 0.2274 0.1943 -0.0128 -0.0491 -0.0675 97 LEU A CD1 763 C CD2 . LEU A 97 ? 0.2742 0.2338 0.1924 -0.0121 0.0457 -0.0295 97 LEU A CD2 764 N N . VAL A 98 ? 0.1047 0.0930 0.1735 0.0006 -0.0152 -0.0221 98 VAL A N 765 C CA . VAL A 98 ? 0.0960 0.1072 0.1397 0.0065 -0.0150 -0.0630 98 VAL A CA 766 C C . VAL A 98 ? 0.1229 0.1372 0.1204 0.0276 0.0120 0.0025 98 VAL A C 767 O O . VAL A 98 ? 0.1059 0.1415 0.1460 0.0171 0.0006 -0.0210 98 VAL A O 768 C CB . VAL A 98 ? 0.0933 0.1252 0.1554 -0.0074 -0.0314 0.0018 98 VAL A CB 769 C CG1 . VAL A 98 ? 0.0994 0.1645 0.2738 0.0192 -0.0148 0.0262 98 VAL A CG1 770 C CG2 . VAL A 98 ? 0.0948 0.1248 0.1664 -0.0067 -0.0060 0.0225 98 VAL A CG2 771 N N A MET A 99 ? 0.1229 0.1399 0.1671 0.0087 0.0034 -0.0236 99 MET A N 772 N N B MET A 99 ? 0.0880 0.0950 0.1264 0.0026 -0.0119 -0.0203 99 MET A N 773 C CA A MET A 99 ? 0.0818 0.1168 0.1167 0.0196 0.0195 0.0181 99 MET A CA 774 C CA B MET A 99 ? 0.0575 0.1161 0.1002 0.0188 0.0174 0.0249 99 MET A CA 775 C C A MET A 99 ? 0.1250 0.1304 0.1050 0.0005 0.0071 0.0035 99 MET A C 776 C C B MET A 99 ? 0.1244 0.1184 0.0936 -0.0024 -0.0055 -0.0035 99 MET A C 777 O O A MET A 99 ? 0.0973 0.1200 0.1354 0.0075 -0.0144 -0.0270 99 MET A O 778 O O B MET A 99 ? 0.0412 0.0817 0.0963 0.0167 -0.0260 0.0057 99 MET A O 779 C CB A MET A 99 ? 0.0939 0.1291 0.1051 0.0063 0.0145 -0.0153 99 MET A CB 780 C CB B MET A 99 ? 0.0629 0.0938 0.0901 0.0119 0.0171 -0.0119 99 MET A CB 781 C CG A MET A 99 ? 0.1008 0.0816 0.1321 0.0083 -0.0017 0.0020 99 MET A CG 782 C CG B MET A 99 ? 0.0481 0.1159 0.1188 0.0010 0.0098 -0.0071 99 MET A CG 783 S SD A MET A 99 ? 0.1169 0.1408 0.1627 0.0146 0.0081 0.0007 99 MET A SD 784 S SD B MET A 99 ? 0.1381 0.1798 0.1500 0.0104 0.0268 0.0158 99 MET A SD 785 C CE A MET A 99 ? 0.1021 0.1070 0.1011 0.0162 0.0124 0.0116 99 MET A CE 786 C CE B MET A 99 ? 0.2003 0.1735 0.1620 -0.0206 -0.0108 0.0174 99 MET A CE 787 N N . THR A 100 ? 0.1050 0.1145 0.1001 0.0120 -0.0111 -0.0168 100 THR A N 788 C CA . THR A 100 ? 0.1134 0.1399 0.1403 0.0271 0.0173 0.0157 100 THR A CA 789 C C . THR A 100 ? 0.1288 0.1762 0.1254 0.0191 0.0161 -0.0079 100 THR A C 790 O O . THR A 100 ? 0.1279 0.1413 0.1491 0.0075 -0.0088 -0.0172 100 THR A O 791 C CB . THR A 100 ? 0.1429 0.1771 0.1185 0.0067 0.0004 0.0145 100 THR A CB 792 O OG1 . THR A 100 ? 0.1057 0.1424 0.1381 0.0024 0.0101 -0.0387 100 THR A OG1 793 C CG2 . THR A 100 ? 0.1616 0.1540 0.1341 -0.0180 0.0107 0.0089 100 THR A CG2 794 N N . ALA A 101 ? 0.1356 0.1390 0.1043 0.0594 0.0089 0.0061 101 ALA A N 795 C CA . ALA A 101 ? 0.1487 0.1105 0.1288 0.0371 -0.0062 0.0108 101 ALA A CA 796 C C . ALA A 101 ? 0.1438 0.1638 0.1329 0.0027 -0.0046 -0.0169 101 ALA A C 797 O O . ALA A 101 ? 0.1456 0.1787 0.1296 0.0200 -0.0091 0.0071 101 ALA A O 798 C CB . ALA A 101 ? 0.1280 0.1290 0.1401 0.0351 -0.0218 -0.0375 101 ALA A CB 799 N N . PRO A 102 ? 0.1673 0.2029 0.1452 -0.0182 -0.0160 0.0018 102 PRO A N 800 C CA . PRO A 102 ? 0.2302 0.1739 0.1321 0.0043 -0.0127 0.0164 102 PRO A CA 801 C C . PRO A 102 ? 0.1335 0.1701 0.1753 -0.0030 -0.0111 0.0226 102 PRO A C 802 O O . PRO A 102 ? 0.2129 0.2690 0.1685 0.0341 0.0518 0.0263 102 PRO A O 803 C CB . PRO A 102 ? 0.2655 0.2541 0.2081 -0.0213 0.0085 -0.0573 102 PRO A CB 804 C CG . PRO A 102 ? 0.2535 0.3195 0.1855 -0.0003 -0.0051 -0.0215 102 PRO A CG 805 C CD . PRO A 102 ? 0.1771 0.2100 0.1099 -0.0328 -0.0143 0.0060 102 PRO A CD 806 N N . ARG A 103 ? 0.1837 0.1995 0.1409 0.0298 -0.0092 0.0036 103 ARG A N 807 C CA . ARG A 103 ? 0.1640 0.1634 0.1931 0.0202 0.0133 -0.0124 103 ARG A CA 808 C C . ARG A 103 ? 0.1497 0.2303 0.1973 0.0111 -0.0347 -0.0113 103 ARG A C 809 O O . ARG A 103 ? 0.1619 0.2344 0.1798 0.0059 0.0141 -0.0207 103 ARG A O 810 C CB . ARG A 103 ? 0.2178 0.2446 0.2406 -0.0183 -0.0402 0.0280 103 ARG A CB 811 C CG . ARG A 103 ? 0.2866 0.3685 0.2822 -0.0506 0.0000 -0.0042 103 ARG A CG 812 C CD . ARG A 103 ? 0.3633 0.4687 0.3219 0.0186 -0.0924 0.0085 103 ARG A CD 813 N NE . ARG A 103 ? 0.5220 0.5314 0.4228 0.0198 -0.0022 -0.0364 103 ARG A NE 814 C CZ . ARG A 103 ? 0.3993 0.4140 0.4123 -0.0023 -0.0316 -0.0134 103 ARG A CZ 815 N NH1 . ARG A 103 ? 0.4547 0.3408 0.2579 0.0130 -0.0736 0.0221 103 ARG A NH1 816 N NH2 . ARG A 103 ? 0.4034 0.3846 0.3208 0.0323 -0.0277 -0.0305 103 ARG A NH2 817 N N . ALA A 104 ? 0.1311 0.2231 0.2532 0.0244 -0.0482 0.0118 104 ALA A N 818 C CA . ALA A 104 ? 0.1649 0.2556 0.2889 0.0195 0.0161 -0.0404 104 ALA A CA 819 C C . ALA A 104 ? 0.1988 0.2829 0.2817 0.0222 -0.0092 0.0055 104 ALA A C 820 O O . ALA A 104 ? 0.3104 0.3838 0.2984 0.0174 -0.0192 0.0304 104 ALA A O 821 C CB . ALA A 104 ? 0.2367 0.2356 0.3328 0.0147 -0.0566 0.0119 104 ALA A CB 822 N N . ALA A 105 ? 0.1838 0.1484 0.2021 0.0101 -0.0160 -0.0336 105 ALA A N 823 C CA . ALA A 105 ? 0.1586 0.1975 0.1244 -0.0073 0.0154 0.0132 105 ALA A CA 824 C C . ALA A 105 ? 0.1522 0.1527 0.1400 0.0109 -0.0042 0.0090 105 ALA A C 825 O O . ALA A 105 ? 0.1925 0.1831 0.1345 0.0243 -0.0185 -0.0277 105 ALA A O 826 C CB . ALA A 105 ? 0.1842 0.2490 0.1344 -0.0516 -0.0315 -0.0004 105 ALA A CB 827 N N A SER A 106 ? 0.1810 0.2108 0.1641 0.0128 0.0037 -0.0064 106 SER A N 828 N N B SER A 106 ? 0.1306 0.1650 0.1020 0.0078 -0.0068 0.0044 106 SER A N 829 C CA A SER A 106 ? 0.1847 0.2111 0.2232 -0.0129 0.0056 -0.0130 106 SER A CA 830 C CA B SER A 106 ? 0.1119 0.1526 0.1588 -0.0139 -0.0045 -0.0052 106 SER A CA 831 C C A SER A 106 ? 0.2036 0.1875 0.1731 0.0078 0.0042 0.0053 106 SER A C 832 C C B SER A 106 ? 0.1591 0.1520 0.1071 0.0159 0.0035 -0.0014 106 SER A C 833 O O A SER A 106 ? 0.1873 0.2528 0.1792 0.0000 -0.0103 0.0431 106 SER A O 834 O O B SER A 106 ? 0.1607 0.1446 0.0891 0.0069 0.0092 0.0251 106 SER A O 835 C CB A SER A 106 ? 0.2525 0.2158 0.2106 0.0369 -0.0059 -0.0155 106 SER A CB 836 C CB B SER A 106 ? 0.1886 0.2159 0.1613 0.0363 -0.0060 -0.0174 106 SER A CB 837 O OG A SER A 106 ? 0.2469 0.2497 0.2658 0.0152 -0.0146 0.0257 106 SER A OG 838 O OG B SER A 106 ? 0.2356 0.2051 0.2327 -0.0291 -0.0180 -0.0262 106 SER A OG 839 N N . ARG A 107 ? 0.1518 0.1252 0.1256 0.0180 -0.0081 -0.0053 107 ARG A N 840 C CA . ARG A 107 ? 0.1269 0.1540 0.1183 0.0033 -0.0025 0.0040 107 ARG A CA 841 C C . ARG A 107 ? 0.1199 0.1741 0.1262 -0.0002 0.0245 0.0023 107 ARG A C 842 O O . ARG A 107 ? 0.1132 0.2048 0.1588 0.0073 -0.0042 -0.0164 107 ARG A O 843 C CB . ARG A 107 ? 0.1280 0.1764 0.1366 0.0320 -0.0148 0.0211 107 ARG A CB 844 C CG . ARG A 107 ? 0.2084 0.3590 0.1461 0.0592 -0.0380 -0.0325 107 ARG A CG 845 C CD . ARG A 107 ? 0.2391 0.3376 0.2115 0.0674 -0.0480 0.0024 107 ARG A CD 846 N NE . ARG A 107 ? 0.2776 0.3765 0.3026 0.0324 -0.0120 -0.0006 107 ARG A NE 847 C CZ . ARG A 107 ? 0.2387 0.2812 0.1636 0.0360 -0.0475 -0.0168 107 ARG A CZ 848 N NH1 . ARG A 107 ? 0.3042 0.3607 0.2759 -0.0530 -0.0482 0.0636 107 ARG A NH1 849 N NH2 . ARG A 107 ? 0.3846 0.3959 0.2825 0.0555 -0.0274 -0.0458 107 ARG A NH2 850 N N . THR A 108 ? 0.1407 0.1671 0.0894 0.0038 0.0134 0.0117 108 THR A N 851 C CA . THR A 108 ? 0.1104 0.1415 0.1253 -0.0097 0.0036 -0.0034 108 THR A CA 852 C C . THR A 108 ? 0.1173 0.1545 0.1143 -0.0060 -0.0205 -0.0162 108 THR A C 853 O O . THR A 108 ? 0.1357 0.1542 0.0874 0.0029 -0.0093 0.0093 108 THR A O 854 C CB . THR A 108 ? 0.1430 0.1331 0.1690 -0.0197 0.0182 0.0246 108 THR A CB 855 O OG1 . THR A 108 ? 0.1635 0.2125 0.2948 -0.0029 0.0193 0.0483 108 THR A OG1 856 C CG2 . THR A 108 ? 0.1123 0.1483 0.1631 -0.0006 0.0037 -0.0160 108 THR A CG2 857 N N . ILE A 109 ? 0.0920 0.1205 0.1245 -0.0134 -0.0238 -0.0353 109 ILE A N 858 C CA . ILE A 109 ? 0.0931 0.1381 0.1259 0.0173 -0.0230 -0.0383 109 ILE A CA 859 C C . ILE A 109 ? 0.0980 0.1589 0.1242 0.0177 0.0133 0.0260 109 ILE A C 860 O O . ILE A 109 ? 0.1033 0.2626 0.1615 0.0078 0.0053 0.0381 109 ILE A O 861 C CB . ILE A 109 ? 0.0902 0.2014 0.2466 0.0134 -0.0731 -0.0390 109 ILE A CB 862 C CG1 . ILE A 109 ? 0.0728 0.2110 0.2889 -0.0021 -0.1023 -0.0351 109 ILE A CG1 863 C CG2 . ILE A 109 ? 0.2493 0.3045 0.2728 0.0247 -0.0325 -0.0096 109 ILE A CG2 864 C CD1 . ILE A 109 ? 0.2566 0.3611 0.3126 -0.0415 -0.0636 -0.0408 109 ILE A CD1 865 N N . LEU A 110 ? 0.0969 0.1313 0.1171 0.0303 -0.0120 0.0063 110 LEU A N 866 C CA . LEU A 110 ? 0.0963 0.1326 0.0991 0.0506 0.0001 -0.0182 110 LEU A CA 867 C C . LEU A 110 ? 0.1144 0.1567 0.1213 -0.0165 0.0135 -0.0422 110 LEU A C 868 O O . LEU A 110 ? 0.1060 0.1529 0.1291 -0.0218 -0.0064 -0.0173 110 LEU A O 869 C CB . LEU A 110 ? 0.1487 0.1370 0.1024 0.0062 -0.0185 -0.0129 110 LEU A CB 870 C CG . LEU A 110 ? 0.1237 0.1306 0.1346 0.0110 -0.0372 0.0048 110 LEU A CG 871 C CD1 . LEU A 110 ? 0.1450 0.2138 0.1175 0.0182 -0.0219 0.0159 110 LEU A CD1 872 C CD2 . LEU A 110 ? 0.1744 0.1749 0.1607 0.0048 0.0184 0.0090 110 LEU A CD2 873 N N . LEU A 111 ? 0.1051 0.1816 0.1317 0.0262 0.0121 -0.0234 111 LEU A N 874 C CA . LEU A 111 ? 0.1327 0.1615 0.1338 0.0232 0.0193 -0.0107 111 LEU A CA 875 C C . LEU A 111 ? 0.1256 0.1530 0.1501 0.0164 -0.0117 -0.0102 111 LEU A C 876 O O . LEU A 111 ? 0.1316 0.1540 0.1483 0.0219 -0.0140 -0.0341 111 LEU A O 877 C CB . LEU A 111 ? 0.1493 0.1752 0.1041 0.0024 -0.0091 -0.0084 111 LEU A CB 878 C CG . LEU A 111 ? 0.1776 0.1482 0.1456 -0.0116 -0.0145 0.0036 111 LEU A CG 879 C CD1 . LEU A 111 ? 0.2750 0.2495 0.1471 -0.0177 0.0490 0.0116 111 LEU A CD1 880 C CD2 . LEU A 111 ? 0.1871 0.2290 0.2214 -0.0351 -0.0443 -0.0403 111 LEU A CD2 881 N N . LEU A 112 ? 0.1200 0.1630 0.1791 0.0371 0.0067 0.0046 112 LEU A N 882 C CA . LEU A 112 ? 0.1149 0.1480 0.1629 0.0198 0.0018 -0.0195 112 LEU A CA 883 C C . LEU A 112 ? 0.1650 0.1894 0.1533 -0.0125 0.0017 -0.0023 112 LEU A C 884 O O . LEU A 112 ? 0.1243 0.2413 0.1573 0.0116 -0.0124 -0.0101 112 LEU A O 885 C CB . LEU A 112 ? 0.2253 0.1577 0.1555 -0.0186 -0.0156 -0.0407 112 LEU A CB 886 C CG . LEU A 112 ? 0.2319 0.1918 0.1650 -0.0178 -0.0396 -0.0183 112 LEU A CG 887 C CD1 . LEU A 112 ? 0.2719 0.1611 0.2650 -0.0126 -0.0312 -0.0192 112 LEU A CD1 888 C CD2 . LEU A 112 ? 0.1499 0.2014 0.1631 -0.0068 -0.0552 -0.0124 112 LEU A CD2 889 N N . GLU A 113 ? 0.1432 0.1528 0.1506 0.0025 0.0165 -0.0053 113 GLU A N 890 C CA . GLU A 113 ? 0.0948 0.1601 0.1824 -0.0070 0.0092 -0.0129 113 GLU A CA 891 C C . GLU A 113 ? 0.0989 0.1348 0.1330 -0.0185 -0.0029 -0.0376 113 GLU A C 892 O O . GLU A 113 ? 0.1118 0.1771 0.1480 0.0134 -0.0146 -0.0285 113 GLU A O 893 C CB . GLU A 113 ? 0.1357 0.1585 0.2148 0.0278 -0.0088 -0.0170 113 GLU A CB 894 C CG . GLU A 113 ? 0.1872 0.3221 0.2982 0.0382 0.0226 0.0383 113 GLU A CG 895 C CD . GLU A 113 ? 0.4050 0.3061 0.3902 0.0049 0.0032 0.0018 113 GLU A CD 896 O OE1 . GLU A 113 ? 0.4273 0.3279 0.3421 0.0344 0.0374 0.0317 113 GLU A OE1 897 O OE2 . GLU A 113 ? 0.4301 0.4432 0.4474 -0.0059 -0.0168 0.0360 113 GLU A OE2 898 N N . ASP A 114 ? 0.1185 0.1906 0.1469 0.0059 0.0193 -0.0226 114 ASP A N 899 C CA . ASP A 114 ? 0.1121 0.1966 0.1966 0.0158 -0.0158 -0.0452 114 ASP A CA 900 C C . ASP A 114 ? 0.1075 0.1424 0.1574 -0.0005 0.0025 -0.0167 114 ASP A C 901 O O . ASP A 114 ? 0.1224 0.1589 0.1501 0.0162 0.0185 -0.0399 114 ASP A O 902 C CB . ASP A 114 ? 0.1846 0.2119 0.1970 -0.0001 0.0140 -0.0377 114 ASP A CB 903 C CG . ASP A 114 ? 0.2987 0.3151 0.2747 0.0166 0.0080 -0.0226 114 ASP A CG 904 O OD1 . ASP A 114 ? 0.2907 0.3356 0.3261 -0.0106 0.0877 -0.0787 114 ASP A OD1 905 O OD2 . ASP A 114 ? 0.4223 0.3805 0.2516 0.0144 0.0314 0.0088 114 ASP A OD2 906 N N . ASN A 115 ? 0.1322 0.1843 0.1274 -0.0228 -0.0029 -0.0391 115 ASN A N 907 C CA . ASN A 115 ? 0.1449 0.1026 0.1399 -0.0186 -0.0134 0.0055 115 ASN A CA 908 C C . ASN A 115 ? 0.1579 0.1393 0.1748 0.0031 0.0095 -0.0025 115 ASN A C 909 O O . ASN A 115 ? 0.1380 0.2020 0.2310 0.0018 0.0088 -0.0185 115 ASN A O 910 C CB . ASN A 115 ? 0.1370 0.1663 0.1664 0.0302 0.0042 -0.0063 115 ASN A CB 911 C CG . ASN A 115 ? 0.2279 0.1475 0.1992 -0.0088 -0.0084 0.0028 115 ASN A CG 912 O OD1 . ASN A 115 ? 0.1153 0.1829 0.1593 -0.0256 -0.0061 0.0112 115 ASN A OD1 913 N ND2 . ASN A 115 ? 0.2617 0.2946 0.2787 0.0076 -0.0348 0.0188 115 ASN A ND2 914 N N . ILE A 116 ? 0.1195 0.1220 0.1819 0.0085 0.0199 -0.0355 116 ILE A N 915 C CA . ILE A 116 ? 0.1498 0.1644 0.1849 0.0018 0.0239 -0.0208 116 ILE A CA 916 C C . ILE A 116 ? 0.1125 0.1552 0.1612 -0.0046 0.0145 -0.0157 116 ILE A C 917 O O . ILE A 116 ? 0.1575 0.1446 0.1889 -0.0155 0.0182 -0.0141 116 ILE A O 918 C CB . ILE A 116 ? 0.1534 0.1491 0.1657 0.0099 0.0073 -0.0606 116 ILE A CB 919 C CG1 . ILE A 116 ? 0.1682 0.1743 0.1936 0.0554 -0.0095 0.0024 116 ILE A CG1 920 C CG2 . ILE A 116 ? 0.2307 0.1657 0.1738 -0.0017 0.0193 -0.0658 116 ILE A CG2 921 C CD1 . ILE A 116 ? 0.1869 0.1523 0.1814 0.0072 0.0145 -0.0091 116 ILE A CD1 922 N N . TYR A 117 ? 0.1144 0.1294 0.1580 -0.0033 -0.0107 -0.0183 117 TYR A N 923 C CA . TYR A 117 ? 0.0931 0.1263 0.1429 -0.0065 -0.0232 -0.0173 117 TYR A CA 924 C C . TYR A 117 ? 0.1234 0.1464 0.1266 0.0010 0.0081 0.0107 117 TYR A C 925 O O . TYR A 117 ? 0.1192 0.1295 0.1497 -0.0105 -0.0263 0.0078 117 TYR A O 926 C CB . TYR A 117 ? 0.0880 0.1393 0.2072 0.0118 -0.0370 0.0057 117 TYR A CB 927 C CG . TYR A 117 ? 0.1185 0.1491 0.1928 -0.0106 -0.0067 0.0007 117 TYR A CG 928 C CD1 . TYR A 117 ? 0.1303 0.1380 0.2398 -0.0067 -0.0120 -0.0263 117 TYR A CD1 929 C CD2 . TYR A 117 ? 0.1857 0.1205 0.1972 -0.0186 -0.0299 0.0005 117 TYR A CD2 930 C CE1 . TYR A 117 ? 0.2534 0.1068 0.2074 0.0386 0.0209 -0.0026 117 TYR A CE1 931 C CE2 . TYR A 117 ? 0.1689 0.1506 0.1961 -0.0042 -0.0007 0.0048 117 TYR A CE2 932 C CZ . TYR A 117 ? 0.1556 0.1392 0.2439 0.0077 0.0320 -0.0076 117 TYR A CZ 933 O OH . TYR A 117 ? 0.2741 0.1433 0.2735 0.0387 0.0251 0.0074 117 TYR A OH 934 N N . ALA A 118 ? 0.1034 0.1202 0.1498 0.0013 0.0007 0.0124 118 ALA A N 935 C CA . ALA A 118 ? 0.1200 0.0876 0.0894 0.0018 -0.0164 -0.0038 118 ALA A CA 936 C C . ALA A 118 ? 0.0975 0.1213 0.1140 -0.0138 -0.0150 -0.0094 118 ALA A C 937 O O . ALA A 118 ? 0.1211 0.1093 0.1457 -0.0156 -0.0087 0.0094 118 ALA A O 938 C CB . ALA A 118 ? 0.1422 0.1535 0.1015 -0.0279 -0.0185 -0.0034 118 ALA A CB 939 N N . ALA A 119 ? 0.0939 0.1279 0.1462 0.0105 -0.0071 -0.0353 119 ALA A N 940 C CA . ALA A 119 ? 0.0862 0.1191 0.1668 0.0033 0.0046 -0.0029 119 ALA A CA 941 C C . ALA A 119 ? 0.1156 0.1345 0.1095 0.0080 -0.0171 -0.0240 119 ALA A C 942 O O . ALA A 119 ? 0.1023 0.1839 0.1325 0.0075 0.0219 -0.0010 119 ALA A O 943 C CB . ALA A 119 ? 0.1439 0.1317 0.1575 -0.0046 -0.0143 -0.0299 119 ALA A CB 944 N N . SER A 120 ? 0.1384 0.1072 0.1190 0.0069 -0.0322 -0.0129 120 SER A N 945 C CA . SER A 120 ? 0.1176 0.1159 0.0806 -0.0180 -0.0324 0.0176 120 SER A CA 946 C C . SER A 120 ? 0.1215 0.0981 0.1338 0.0013 -0.0125 -0.0101 120 SER A C 947 O O . SER A 120 ? 0.1151 0.1424 0.1222 -0.0114 0.0011 -0.0059 120 SER A O 948 C CB . SER A 120 ? 0.1444 0.2014 0.1035 -0.0065 -0.0138 -0.0039 120 SER A CB 949 O OG . SER A 120 ? 0.1292 0.2269 0.1519 -0.0305 -0.0057 -0.0201 120 SER A OG 950 N N . GLN A 121 ? 0.1095 0.0887 0.1265 0.0116 -0.0037 -0.0127 121 GLN A N 951 C CA . GLN A 121 ? 0.1108 0.0718 0.1222 0.0432 -0.0178 -0.0155 121 GLN A CA 952 C C . GLN A 121 ? 0.0767 0.0818 0.0902 0.0225 -0.0130 -0.0057 121 GLN A C 953 O O . GLN A 121 ? 0.1354 0.1092 0.1187 0.0053 -0.0139 0.0123 121 GLN A O 954 C CB . GLN A 121 ? 0.0841 0.1145 0.1037 0.0234 -0.0037 -0.0133 121 GLN A CB 955 C CG . GLN A 121 ? 0.0977 0.1541 0.0955 -0.0146 0.0067 -0.0309 121 GLN A CG 956 C CD . GLN A 121 ? 0.1123 0.1208 0.1301 -0.0141 0.0114 -0.0228 121 GLN A CD 957 O OE1 . GLN A 121 ? 0.0860 0.1457 0.1653 0.0161 0.0275 -0.0247 121 GLN A OE1 958 N NE2 . GLN A 121 ? 0.1027 0.1364 0.1262 -0.0096 -0.0120 -0.0135 121 GLN A NE2 959 N N . GLY A 122 ? 0.0767 0.0941 0.0892 0.0082 -0.0092 -0.0270 122 GLY A N 960 C CA . GLY A 122 ? 0.1003 0.1590 0.0648 -0.0076 0.0355 -0.0320 122 GLY A CA 961 C C . GLY A 122 ? 0.0767 0.0747 0.1086 -0.0206 0.0289 0.0060 122 GLY A C 962 O O . GLY A 122 ? 0.1005 0.1218 0.1350 0.0021 -0.0174 0.0010 122 GLY A O 963 N N . TRP A 123 ? 0.0925 0.1144 0.0998 0.0046 0.0112 0.0154 123 TRP A N 964 C CA . TRP A 123 ? 0.0551 0.1352 0.1119 -0.0119 0.0001 -0.0188 123 TRP A CA 965 C C . TRP A 123 ? 0.1096 0.1047 0.1084 0.0131 0.0090 0.0125 123 TRP A C 966 O O . TRP A 123 ? 0.1206 0.1580 0.1125 -0.0125 -0.0002 0.0187 123 TRP A O 967 C CB . TRP A 123 ? 0.1360 0.1370 0.1346 -0.0457 -0.0394 -0.0145 123 TRP A CB 968 C CG . TRP A 123 ? 0.0844 0.1087 0.1078 0.0042 -0.0066 0.0159 123 TRP A CG 969 C CD1 . TRP A 123 ? 0.1430 0.1423 0.1223 -0.0169 -0.0016 0.0018 123 TRP A CD1 970 C CD2 . TRP A 123 ? 0.0646 0.1282 0.1144 0.0168 -0.0094 -0.0090 123 TRP A CD2 971 N NE1 . TRP A 123 ? 0.0950 0.1391 0.1409 -0.0117 -0.0338 0.0053 123 TRP A NE1 972 C CE2 . TRP A 123 ? 0.0904 0.1230 0.0843 0.0388 -0.0140 -0.0059 123 TRP A CE2 973 C CE3 . TRP A 123 ? 0.0683 0.1287 0.1276 0.0091 0.0041 0.0260 123 TRP A CE3 974 C CZ2 . TRP A 123 ? 0.1091 0.1546 0.1215 0.0215 -0.0177 0.0079 123 TRP A CZ2 975 C CZ3 . TRP A 123 ? 0.1236 0.1268 0.1141 -0.0080 -0.0081 0.0062 123 TRP A CZ3 976 C CH2 . TRP A 123 ? 0.0990 0.2036 0.1279 0.0007 -0.0081 -0.0054 123 TRP A CH2 977 N N . THR A 124 ? 0.0953 0.1187 0.0887 0.0058 -0.0044 -0.0231 124 THR A N 978 C CA . THR A 124 ? 0.1308 0.1081 0.1052 -0.0178 -0.0058 -0.0011 124 THR A CA 979 C C . THR A 124 ? 0.1327 0.1295 0.1360 0.0200 0.0009 0.0194 124 THR A C 980 O O . THR A 124 ? 0.1020 0.1557 0.1115 0.0056 -0.0085 0.0041 124 THR A O 981 C CB . THR A 124 ? 0.1089 0.1267 0.0753 -0.0329 -0.0089 -0.0084 124 THR A CB 982 O OG1 . THR A 124 ? 0.0852 0.1608 0.1542 -0.0300 0.0026 0.0147 124 THR A OG1 983 C CG2 . THR A 124 ? 0.2144 0.1546 0.0650 -0.0223 -0.0265 -0.0051 124 THR A CG2 984 N N . VAL A 125 ? 0.1258 0.1357 0.1185 -0.0122 0.0059 0.0349 125 VAL A N 985 C CA . VAL A 125 ? 0.1489 0.1089 0.1337 -0.0179 0.0271 0.0027 125 VAL A CA 986 C C . VAL A 125 ? 0.1396 0.1342 0.1576 -0.0067 -0.0245 -0.0145 125 VAL A C 987 O O . VAL A 125 ? 0.1750 0.1769 0.1663 0.0108 -0.0545 0.0170 125 VAL A O 988 C CB . VAL A 125 ? 0.1030 0.0972 0.1040 -0.0204 0.0091 -0.0010 125 VAL A CB 989 C CG1 . VAL A 125 ? 0.1168 0.2103 0.1434 -0.0349 0.0272 0.0091 125 VAL A CG1 990 C CG2 . VAL A 125 ? 0.1068 0.1546 0.1395 0.0025 0.0283 0.0074 125 VAL A CG2 991 N N . THR A 126 ? 0.1649 0.1275 0.1094 -0.0044 0.0009 0.0046 126 THR A N 992 C CA . THR A 126 ? 0.1207 0.1327 0.1164 -0.0069 -0.0007 -0.0051 126 THR A CA 993 C C . THR A 126 ? 0.1339 0.1538 0.0983 -0.0228 0.0054 0.0000 126 THR A C 994 O O . THR A 126 ? 0.1377 0.1749 0.1376 -0.0382 -0.0254 -0.0050 126 THR A O 995 C CB . THR A 126 ? 0.1218 0.0925 0.1236 -0.0064 -0.0402 -0.0150 126 THR A CB 996 O OG1 . THR A 126 ? 0.1449 0.1442 0.1355 -0.0274 -0.0013 -0.0260 126 THR A OG1 997 C CG2 . THR A 126 ? 0.1898 0.1334 0.1172 0.0176 0.0149 0.0332 126 THR A CG2 998 N N . ASN A 127 ? 0.1637 0.1216 0.1153 -0.0333 0.0200 0.0199 127 ASN A N 999 C CA . ASN A 127 ? 0.1724 0.1772 0.1254 -0.0479 0.0364 0.0248 127 ASN A CA 1000 C C . ASN A 127 ? 0.1537 0.1777 0.1685 -0.0069 0.0301 -0.0246 127 ASN A C 1001 O O . ASN A 127 ? 0.2062 0.2277 0.2215 -0.0020 0.0190 -0.0450 127 ASN A O 1002 C CB . ASN A 127 ? 0.2576 0.2232 0.1155 -0.0597 0.0220 0.0072 127 ASN A CB 1003 C CG . ASN A 127 ? 0.1556 0.2138 0.1632 -0.0151 0.0141 -0.0171 127 ASN A CG 1004 O OD1 . ASN A 127 ? 0.1146 0.1761 0.1444 -0.0018 0.0064 0.0138 127 ASN A OD1 1005 N ND2 . ASN A 127 ? 0.2439 0.3085 0.1804 -0.0474 -0.0112 0.0499 127 ASN A ND2 1006 N N . ASN A 128 ? 0.1167 0.1540 0.1342 -0.0203 -0.0002 0.0054 128 ASN A N 1007 C CA . ASN A 128 ? 0.1727 0.1669 0.1158 -0.0500 -0.0451 0.0076 128 ASN A CA 1008 C C . ASN A 128 ? 0.1583 0.1087 0.1374 0.0134 -0.0050 0.0157 128 ASN A C 1009 O O . ASN A 128 ? 0.2013 0.1715 0.2090 -0.0006 0.0267 0.0076 128 ASN A O 1010 C CB . ASN A 128 ? 0.1469 0.1574 0.1921 -0.0313 -0.0347 -0.0374 128 ASN A CB 1011 C CG . ASN A 128 ? 0.1618 0.1779 0.1257 0.0140 0.0082 0.0270 128 ASN A CG 1012 O OD1 . ASN A 128 ? 0.1846 0.2031 0.1382 0.0054 -0.0265 0.0071 128 ASN A OD1 1013 N ND2 . ASN A 128 ? 0.2018 0.2424 0.1774 0.0117 0.0011 -0.0143 128 ASN A ND2 1014 N N . VAL A 129 ? 0.1534 0.1624 0.1159 -0.0530 -0.0491 0.0277 129 VAL A N 1015 C CA . VAL A 129 ? 0.1611 0.1729 0.1160 -0.0526 -0.0304 0.0194 129 VAL A CA 1016 C C . VAL A 129 ? 0.1605 0.1853 0.1891 -0.0210 -0.0119 0.0167 129 VAL A C 1017 O O . VAL A 129 ? 0.1631 0.2039 0.1634 -0.0538 -0.0124 0.0046 129 VAL A O 1018 C CB . VAL A 129 ? 0.1281 0.1888 0.1587 -0.0294 -0.0217 0.0207 129 VAL A CB 1019 C CG1 . VAL A 129 ? 0.2548 0.2273 0.1451 -0.0631 -0.0167 0.0297 129 VAL A CG1 1020 C CG2 . VAL A 129 ? 0.1470 0.2406 0.1956 0.0001 -0.0272 0.0235 129 VAL A CG2 1021 N N . LYS A 130 ? 0.1345 0.1665 0.1496 -0.0304 -0.0038 -0.0100 130 LYS A N 1022 C CA . LYS A 130 ? 0.0995 0.1475 0.2182 -0.0165 0.0480 -0.0119 130 LYS A CA 1023 C C . LYS A 130 ? 0.1137 0.1257 0.1300 -0.0130 0.0065 0.0052 130 LYS A C 1024 O O . LYS A 130 ? 0.1336 0.1765 0.1799 -0.0167 -0.0052 0.0290 130 LYS A O 1025 C CB . LYS A 130 ? 0.1467 0.1757 0.1882 0.0019 0.0171 -0.0210 130 LYS A CB 1026 C CG . LYS A 130 ? 0.1532 0.2949 0.2911 0.0107 0.0343 -0.0378 130 LYS A CG 1027 C CD . LYS A 130 ? 0.5352 0.3493 0.4209 0.0326 0.0249 -0.0165 130 LYS A CD 1028 C CE . LYS A 130 ? 0.5615 0.6785 0.5428 0.0136 -0.0306 0.0000 130 LYS A CE 1029 N NZ . LYS A 130 ? 0.7533 0.7738 0.7893 -0.0018 0.0098 -0.0022 130 LYS A NZ 1030 N N . PRO A 131 ? 0.1211 0.1209 0.1488 -0.0046 0.0117 0.0100 131 PRO A N 1031 C CA . PRO A 131 ? 0.1114 0.1365 0.1609 -0.0035 -0.0093 -0.0220 131 PRO A CA 1032 C C . PRO A 131 ? 0.1335 0.1489 0.1520 0.0045 0.0157 0.0248 131 PRO A C 1033 O O . PRO A 131 ? 0.1621 0.1703 0.1867 -0.0187 0.0324 -0.0227 131 PRO A O 1034 C CB . PRO A 131 ? 0.1820 0.2124 0.1572 -0.0402 0.0019 0.0194 131 PRO A CB 1035 C CG . PRO A 131 ? 0.1880 0.1815 0.2634 0.0040 0.0323 0.0386 131 PRO A CG 1036 C CD . PRO A 131 ? 0.1367 0.1723 0.1776 -0.0321 0.0004 0.0590 131 PRO A CD 1037 N N . ILE A 132 ? 0.1224 0.1629 0.2026 -0.0109 -0.0001 -0.0151 132 ILE A N 1038 C CA . ILE A 132 ? 0.1199 0.1697 0.1963 -0.0352 -0.0170 0.0021 132 ILE A CA 1039 C C . ILE A 132 ? 0.1285 0.1223 0.1364 0.0095 0.0195 0.0078 132 ILE A C 1040 O O . ILE A 132 ? 0.1841 0.1551 0.1378 0.0052 0.0426 -0.0047 132 ILE A O 1041 C CB . ILE A 132 ? 0.1674 0.1796 0.1918 -0.0323 0.0045 0.0241 132 ILE A CB 1042 C CG1 . ILE A 132 ? 0.2301 0.2424 0.2646 -0.0489 -0.0076 0.0433 132 ILE A CG1 1043 C CG2 . ILE A 132 ? 0.1816 0.2212 0.2140 -0.0089 -0.0438 0.0194 132 ILE A CG2 1044 C CD1 . ILE A 132 ? 0.3365 0.3778 0.3319 0.0041 0.0359 0.0213 132 ILE A CD1 1045 N N . VAL A 133 ? 0.1402 0.1153 0.1376 -0.0293 0.0037 -0.0113 133 VAL A N 1046 C CA . VAL A 133 ? 0.1289 0.1340 0.1409 -0.0281 -0.0070 -0.0002 133 VAL A CA 1047 C C . VAL A 133 ? 0.1279 0.1502 0.1473 -0.0109 0.0115 -0.0141 133 VAL A C 1048 O O . VAL A 133 ? 0.1558 0.1997 0.1284 -0.0202 0.0075 -0.0233 133 VAL A O 1049 C CB . VAL A 133 ? 0.1529 0.1780 0.1668 -0.0184 -0.0232 0.0161 133 VAL A CB 1050 C CG1 . VAL A 133 ? 0.1170 0.1786 0.2384 -0.0418 0.0118 0.0132 133 VAL A CG1 1051 C CG2 . VAL A 133 ? 0.1399 0.1939 0.1703 -0.0324 -0.0158 -0.0174 133 VAL A CG2 1052 N N . ALA A 134 ? 0.1207 0.1196 0.1221 -0.0076 0.0071 -0.0079 134 ALA A N 1053 C CA . ALA A 134 ? 0.1070 0.1057 0.1208 -0.0182 -0.0067 0.0223 134 ALA A CA 1054 C C . ALA A 134 ? 0.1000 0.1297 0.1190 0.0043 0.0160 -0.0119 134 ALA A C 1055 O O . ALA A 134 ? 0.1470 0.1524 0.1449 -0.0251 0.0011 0.0209 134 ALA A O 1056 C CB . ALA A 134 ? 0.1465 0.1003 0.1617 0.0210 -0.0068 0.0052 134 ALA A CB 1057 N N A SER A 135 ? 0.1331 0.1312 0.1174 -0.0093 -0.0029 -0.0006 135 SER A N 1058 N N B SER A 135 ? 0.1152 0.1152 0.1059 -0.0097 0.0025 0.0006 135 SER A N 1059 C CA A SER A 135 ? 0.1156 0.1205 0.1150 0.0100 0.0060 -0.0095 135 SER A CA 1060 C CA B SER A 135 ? 0.0836 0.0745 0.0863 0.0030 -0.0105 -0.0172 135 SER A CA 1061 C C A SER A 135 ? 0.1290 0.1070 0.0798 -0.0003 0.0112 0.0040 135 SER A C 1062 C C B SER A 135 ? 0.1257 0.0894 0.1137 0.0111 0.0195 0.0072 135 SER A C 1063 O O A SER A 135 ? 0.1258 0.0863 0.0674 0.0127 -0.0281 -0.0042 135 SER A O 1064 O O B SER A 135 ? 0.1200 0.1143 0.1133 -0.0184 0.0277 -0.0016 135 SER A O 1065 C CB A SER A 135 ? 0.2038 0.1842 0.2180 0.0025 -0.0027 -0.0223 135 SER A CB 1066 C CB B SER A 135 ? 0.1291 0.0879 0.0436 0.0320 -0.0061 0.0190 135 SER A CB 1067 O OG A SER A 135 ? 0.2965 0.2901 0.2553 -0.0008 -0.0049 -0.0072 135 SER A OG 1068 O OG B SER A 135 ? 0.0788 0.0867 0.1397 -0.0122 0.0251 -0.0385 135 SER A OG 1069 N N . ILE A 136 ? 0.1309 0.1073 0.1194 0.0237 0.0309 -0.0184 136 ILE A N 1070 C CA . ILE A 136 ? 0.0984 0.1054 0.0863 0.0169 -0.0110 0.0005 136 ILE A CA 1071 C C . ILE A 136 ? 0.1306 0.1075 0.1414 -0.0188 -0.0205 0.0251 136 ILE A C 1072 O O . ILE A 136 ? 0.1427 0.0938 0.1207 -0.0067 -0.0119 -0.0147 136 ILE A O 1073 C CB . ILE A 136 ? 0.1163 0.1172 0.0913 -0.0071 -0.0207 -0.0222 136 ILE A CB 1074 C CG1 . ILE A 136 ? 0.1424 0.1162 0.1019 -0.0150 -0.0277 -0.0108 136 ILE A CG1 1075 C CG2 . ILE A 136 ? 0.1780 0.1320 0.1399 0.0218 -0.0107 -0.0134 136 ILE A CG2 1076 C CD1 . ILE A 136 ? 0.1405 0.1686 0.1039 -0.0068 -0.0169 -0.0308 136 ILE A CD1 1077 N N . VAL A 137 ? 0.1040 0.1087 0.1207 -0.0072 -0.0171 -0.0105 137 VAL A N 1078 C CA . VAL A 137 ? 0.1452 0.1295 0.0774 0.0086 -0.0163 -0.0288 137 VAL A CA 1079 C C . VAL A 137 ? 0.1223 0.1207 0.1207 0.0004 -0.0081 0.0228 137 VAL A C 1080 O O . VAL A 137 ? 0.1667 0.1191 0.1454 0.0151 0.0249 0.0079 137 VAL A O 1081 C CB . VAL A 137 ? 0.1329 0.1260 0.0884 0.0247 0.0214 -0.0139 137 VAL A CB 1082 C CG1 . VAL A 137 ? 0.1639 0.1504 0.1872 -0.0233 -0.0470 -0.0180 137 VAL A CG1 1083 C CG2 . VAL A 137 ? 0.1651 0.0900 0.1477 0.0347 0.0197 0.0105 137 VAL A CG2 1084 N N . GLY A 138 ? 0.1102 0.1266 0.1203 -0.0145 -0.0060 -0.0356 138 GLY A N 1085 C CA . GLY A 138 ? 0.0854 0.1806 0.2159 -0.0044 0.0368 -0.0399 138 GLY A CA 1086 C C . GLY A 138 ? 0.1582 0.1423 0.1356 -0.0149 0.0226 0.0024 138 GLY A C 1087 O O . GLY A 138 ? 0.1557 0.1682 0.1333 0.0012 0.0028 -0.0274 138 GLY A O 1088 N N . TYR A 139 ? 0.1098 0.1552 0.1449 -0.0157 0.0420 -0.0222 139 TYR A N 1089 C CA . TYR A 139 ? 0.1297 0.1134 0.1322 -0.0053 0.0067 -0.0408 139 TYR A CA 1090 C C . TYR A 139 ? 0.1270 0.1138 0.1324 0.0123 -0.0212 -0.0334 139 TYR A C 1091 O O . TYR A 139 ? 0.1231 0.1327 0.1932 -0.0075 -0.0123 -0.0213 139 TYR A O 1092 C CB . TYR A 139 ? 0.0992 0.1967 0.1609 -0.0226 0.0207 -0.0287 139 TYR A CB 1093 C CG . TYR A 139 ? 0.1410 0.1564 0.1695 0.0006 -0.0090 -0.0382 139 TYR A CG 1094 C CD1 . TYR A 139 ? 0.1674 0.2005 0.1893 0.0325 0.0009 -0.0098 139 TYR A CD1 1095 C CD2 . TYR A 139 ? 0.1671 0.1930 0.2154 0.0008 0.0271 -0.0270 139 TYR A CD2 1096 C CE1 . TYR A 139 ? 0.1854 0.2057 0.2014 -0.0364 -0.0143 -0.0442 139 TYR A CE1 1097 C CE2 . TYR A 139 ? 0.1716 0.2339 0.2477 -0.0294 -0.0366 -0.0076 139 TYR A CE2 1098 C CZ . TYR A 139 ? 0.1379 0.2227 0.2145 -0.0462 -0.0186 -0.0049 139 TYR A CZ 1099 O OH . TYR A 139 ? 0.1549 0.3326 0.2812 -0.0370 -0.0373 -0.0317 139 TYR A OH 1100 N N . LYS A 140 ? 0.1715 0.1945 0.1439 -0.0221 -0.0297 -0.0551 140 LYS A N 1101 C CA . LYS A 140 ? 0.1426 0.1595 0.1646 -0.0054 -0.0070 -0.0344 140 LYS A CA 1102 C C . LYS A 140 ? 0.1562 0.1630 0.1589 0.0101 -0.0145 -0.0160 140 LYS A C 1103 O O . LYS A 140 ? 0.1797 0.1598 0.1831 0.0165 -0.0166 -0.0465 140 LYS A O 1104 C CB . LYS A 140 ? 0.1909 0.1794 0.2197 -0.0179 0.0006 -0.0527 140 LYS A CB 1105 C CG . LYS A 140 ? 0.2332 0.2234 0.2502 0.0211 0.0397 -0.0604 140 LYS A CG 1106 C CD . LYS A 140 ? 0.2654 0.2769 0.3270 0.0026 0.0062 -0.0215 140 LYS A CD 1107 C CE . LYS A 140 ? 0.3170 0.3749 0.3790 0.0192 0.0197 -0.0262 140 LYS A CE 1108 N NZ . LYS A 140 ? 0.4245 0.4810 0.4274 -0.0002 -0.0183 -0.0034 140 LYS A NZ 1109 N N . GLU A 141 ? 0.1663 0.1516 0.1231 0.0051 -0.0064 -0.0041 141 GLU A N 1110 C CA . GLU A 141 ? 0.1668 0.1827 0.0802 0.0245 -0.0007 0.0010 141 GLU A CA 1111 C C . GLU A 141 ? 0.1593 0.1522 0.1387 -0.0196 0.0137 0.0139 141 GLU A C 1112 O O . GLU A 141 ? 0.1953 0.1607 0.1294 0.0211 0.0150 0.0017 141 GLU A O 1113 C CB . GLU A 141 ? 0.2275 0.1403 0.0807 0.0311 -0.0400 -0.0113 141 GLU A CB 1114 C CG . GLU A 141 ? 0.1988 0.1739 0.1312 0.0405 -0.0323 0.0281 141 GLU A CG 1115 C CD . GLU A 141 ? 0.2543 0.2900 0.2921 -0.0042 -0.0163 0.0329 141 GLU A CD 1116 O OE1 . GLU A 141 ? 0.2657 0.4193 0.3437 -0.0645 0.0417 0.0287 141 GLU A OE1 1117 O OE2 . GLU A 141 ? 0.4943 0.3970 0.4576 0.0341 0.0107 -0.0164 141 GLU A OE2 1118 N N A MET A 142 ? 0.1588 0.1325 0.1185 -0.0171 0.0010 0.0187 142 MET A N 1119 N N B MET A 142 ? 0.1381 0.1148 0.0939 0.0033 -0.0052 0.0204 142 MET A N 1120 C CA A MET A 142 ? 0.1579 0.1486 0.1515 0.0079 -0.0142 0.0039 142 MET A CA 1121 C CA B MET A 142 ? 0.1050 0.0758 0.1085 0.0088 0.0077 0.0076 142 MET A CA 1122 C C A MET A 142 ? 0.1629 0.1181 0.1491 0.0033 -0.0090 -0.0094 142 MET A C 1123 C C B MET A 142 ? 0.1479 0.1193 0.1208 -0.0024 -0.0044 -0.0114 142 MET A C 1124 O O A MET A 142 ? 0.1178 0.1099 0.1119 -0.0122 -0.0032 0.0134 142 MET A O 1125 O O B MET A 142 ? 0.1410 0.0976 0.1323 0.0034 0.0067 -0.0163 142 MET A O 1126 C CB A MET A 142 ? 0.1856 0.1620 0.1374 -0.0253 -0.0037 -0.0053 142 MET A CB 1127 C CB B MET A 142 ? 0.1531 0.0990 0.0935 -0.0363 -0.0038 0.0129 142 MET A CB 1128 C CG A MET A 142 ? 0.1213 0.2515 0.1874 -0.0058 -0.0298 -0.0163 142 MET A CG 1129 C CG B MET A 142 ? 0.0910 0.1072 0.1772 -0.0102 -0.0123 0.0133 142 MET A CG 1130 S SD A MET A 142 ? 0.2482 0.2430 0.2864 -0.0193 0.0049 -0.0061 142 MET A SD 1131 S SD B MET A 142 ? 0.1330 0.1107 0.1354 -0.0082 -0.0073 0.0040 142 MET A SD 1132 C CE A MET A 142 ? 0.2510 0.2302 0.2421 0.0139 0.0084 0.0050 142 MET A CE 1133 C CE B MET A 142 ? 0.1339 0.1027 0.1154 0.0020 -0.0141 0.0251 142 MET A CE 1134 N N . CYS A 143 ? 0.0993 0.1639 0.1292 0.0050 -0.0134 -0.0127 143 CYS A N 1135 C CA . CYS A 143 ? 0.1069 0.0943 0.1242 0.0105 -0.0220 -0.0024 143 CYS A CA 1136 C C . CYS A 143 ? 0.1445 0.0985 0.1039 -0.0259 0.0077 0.0008 143 CYS A C 1137 O O . CYS A 143 ? 0.1625 0.1008 0.1474 -0.0334 0.0254 -0.0035 143 CYS A O 1138 C CB . CYS A 143 ? 0.1463 0.1349 0.1422 0.0325 0.0179 -0.0006 143 CYS A CB 1139 S SG . CYS A 143 ? 0.1582 0.1410 0.1409 -0.0077 0.0141 -0.0047 143 CYS A SG 1140 N N . LEU A 144 ? 0.1321 0.1002 0.0869 -0.0102 -0.0282 -0.0127 144 LEU A N 1141 C CA . LEU A 144 ? 0.1257 0.0822 0.1172 -0.0005 -0.0224 -0.0152 144 LEU A CA 1142 C C . LEU A 144 ? 0.1301 0.0877 0.1373 -0.0070 0.0049 0.0092 144 LEU A C 1143 O O . LEU A 144 ? 0.1455 0.1754 0.1072 0.0073 0.0208 0.0175 144 LEU A O 1144 C CB . LEU A 144 ? 0.1519 0.0848 0.0797 -0.0059 -0.0025 -0.0128 144 LEU A CB 1145 C CG . LEU A 144 ? 0.1141 0.1293 0.0745 -0.0240 -0.0014 -0.0130 144 LEU A CG 1146 C CD1 . LEU A 144 ? 0.1087 0.1910 0.1430 0.0166 0.0328 0.0106 144 LEU A CD1 1147 C CD2 . LEU A 144 ? 0.1532 0.1501 0.1491 -0.0283 -0.0144 -0.0001 144 LEU A CD2 1148 N N . GLN A 145 ? 0.1320 0.0973 0.1442 0.0048 0.0087 0.0157 145 GLN A N 1149 C CA . GLN A 145 ? 0.1600 0.0880 0.1083 -0.0122 -0.0276 0.0040 145 GLN A CA 1150 C C . GLN A 145 ? 0.1103 0.1183 0.1306 -0.0134 0.0076 0.0304 145 GLN A C 1151 O O . GLN A 145 ? 0.1406 0.1356 0.1055 0.0123 0.0305 0.0049 145 GLN A O 1152 C CB . GLN A 145 ? 0.1805 0.1303 0.1178 0.0055 -0.0080 -0.0222 145 GLN A CB 1153 C CG . GLN A 145 ? 0.1899 0.1232 0.1705 0.0251 -0.0181 0.0180 145 GLN A CG 1154 C CD . GLN A 145 ? 0.2495 0.1644 0.1977 0.0024 0.0155 -0.0049 145 GLN A CD 1155 O OE1 . GLN A 145 ? 0.1872 0.1056 0.2050 -0.0117 0.0117 0.0040 145 GLN A OE1 1156 N NE2 . GLN A 145 ? 0.2603 0.1590 0.1709 0.0158 0.0050 0.0021 145 GLN A NE2 1157 N N . SER A 146 ? 0.1509 0.1541 0.1101 -0.0020 -0.0144 0.0068 146 SER A N 1158 C CA . SER A 146 ? 0.1719 0.1017 0.1405 -0.0124 -0.0597 0.0410 146 SER A CA 1159 C C . SER A 146 ? 0.1938 0.1187 0.1286 0.0010 -0.0006 0.0134 146 SER A C 1160 O O . SER A 146 ? 0.2017 0.1410 0.1292 -0.0279 -0.0078 0.0108 146 SER A O 1161 C CB . SER A 146 ? 0.1184 0.1340 0.1505 0.0107 -0.0167 0.0024 146 SER A CB 1162 O OG . SER A 146 ? 0.1666 0.1424 0.1740 0.0291 0.0224 0.0381 146 SER A OG 1163 N N . ASN A 147 ? 0.2382 0.1161 0.1045 -0.0254 0.0244 0.0316 147 ASN A N 1164 C CA . ASN A 147 ? 0.2413 0.1455 0.1593 -0.0126 0.0213 0.0197 147 ASN A CA 1165 C C . ASN A 147 ? 0.2392 0.2020 0.2048 0.0181 0.0003 -0.0093 147 ASN A C 1166 O O . ASN A 147 ? 0.2333 0.1767 0.1914 -0.0030 0.0012 0.0277 147 ASN A O 1167 C CB . ASN A 147 ? 0.2170 0.2200 0.1893 0.0413 0.0027 0.0381 147 ASN A CB 1168 C CG . ASN A 147 ? 0.2012 0.1958 0.1986 0.0022 -0.0219 -0.0088 147 ASN A CG 1169 O OD1 . ASN A 147 ? 0.2402 0.1607 0.1771 -0.0293 -0.0001 0.0199 147 ASN A OD1 1170 N ND2 . ASN A 147 ? 0.2527 0.1490 0.1993 0.0108 0.0290 0.0108 147 ASN A ND2 1171 N N . GLY A 148 ? 0.1900 0.1633 0.1986 0.0140 0.0055 0.0025 148 GLY A N 1172 C CA . GLY A 148 ? 0.2670 0.1764 0.2234 0.0431 -0.0114 -0.0096 148 GLY A CA 1173 C C . GLY A 148 ? 0.2417 0.1937 0.2380 0.0004 -0.0066 -0.0113 148 GLY A C 1174 O O . GLY A 148 ? 0.2299 0.1595 0.1567 0.0022 -0.0046 0.0213 148 GLY A O 1175 N N . GLU A 149 ? 0.2445 0.1659 0.1816 -0.0172 -0.0019 0.0041 149 GLU A N 1176 C CA . GLU A 149 ? 0.1750 0.1803 0.1651 -0.0120 -0.0082 0.0056 149 GLU A CA 1177 C C . GLU A 149 ? 0.2056 0.1360 0.1340 -0.0007 0.0173 0.0024 149 GLU A C 1178 O O . GLU A 149 ? 0.2462 0.1128 0.2694 0.0172 0.0160 0.0363 149 GLU A O 1179 C CB . GLU A 149 ? 0.1771 0.1708 0.2403 -0.0163 -0.0137 0.0156 149 GLU A CB 1180 C CG . GLU A 149 ? 0.2092 0.2217 0.2287 0.0287 -0.0307 0.0094 149 GLU A CG 1181 C CD . GLU A 149 ? 0.2235 0.2050 0.1933 -0.0043 -0.0519 0.0134 149 GLU A CD 1182 O OE1 . GLU A 149 ? 0.3021 0.3090 0.3305 0.0257 -0.0179 0.0023 149 GLU A OE1 1183 O OE2 . GLU A 149 ? 0.3246 0.2918 0.2930 0.0075 -0.0662 -0.0597 149 GLU A OE2 1184 N N . ASN A 150 ? 0.1919 0.1532 0.1479 0.0072 0.0134 0.0175 150 ASN A N 1185 C CA . ASN A 150 ? 0.1855 0.1456 0.1124 0.0086 0.0002 0.0575 150 ASN A CA 1186 C C . ASN A 150 ? 0.2026 0.1908 0.1278 -0.0266 0.0045 -0.0032 150 ASN A C 1187 O O . ASN A 150 ? 0.2542 0.3289 0.1642 0.0099 0.0172 0.0302 150 ASN A O 1188 C CB . ASN A 150 ? 0.2418 0.1594 0.1301 -0.0154 -0.0387 0.0606 150 ASN A CB 1189 C CG . ASN A 150 ? 0.2306 0.1598 0.1564 -0.0045 -0.0379 0.0008 150 ASN A CG 1190 O OD1 . ASN A 150 ? 0.2441 0.2330 0.2522 0.0065 0.0414 0.0098 150 ASN A OD1 1191 N ND2 . ASN A 150 ? 0.3130 0.1679 0.2337 -0.0131 -0.0349 -0.0073 150 ASN A ND2 1192 N N . ASN A 151 ? 0.1996 0.1147 0.1083 0.0061 0.0026 0.0329 151 ASN A N 1193 C CA . ASN A 151 ? 0.2183 0.1269 0.1401 -0.0085 -0.0213 0.0038 151 ASN A CA 1194 C C . ASN A 151 ? 0.1607 0.1765 0.1398 -0.0050 -0.0149 0.0330 151 ASN A C 1195 O O . ASN A 151 ? 0.1493 0.1436 0.1377 0.0028 -0.0048 0.0178 151 ASN A O 1196 C CB . ASN A 151 ? 0.1807 0.1189 0.1826 0.0020 0.0278 0.0047 151 ASN A CB 1197 C CG . ASN A 151 ? 0.2362 0.1511 0.2478 -0.0101 -0.0179 0.0124 151 ASN A CG 1198 O OD1 . ASN A 151 ? 0.2701 0.1777 0.1935 -0.0054 0.0125 0.0289 151 ASN A OD1 1199 N ND2 . ASN A 151 ? 0.2505 0.1519 0.2210 0.0429 0.0279 0.0001 151 ASN A ND2 1200 N N . GLY A 152 ? 0.1621 0.1550 0.1098 0.0203 -0.0374 0.0005 152 GLY A N 1201 C CA . GLY A 152 ? 0.1386 0.1634 0.1116 0.0242 0.0144 0.0420 152 GLY A CA 1202 C C . GLY A 152 ? 0.1668 0.1461 0.1346 0.0165 0.0305 0.0291 152 GLY A C 1203 O O . GLY A 152 ? 0.2550 0.1475 0.1711 0.0122 0.0407 0.0430 152 GLY A O 1204 N N . VAL A 153 ? 0.1507 0.1198 0.0915 -0.0023 0.0311 0.0173 153 VAL A N 1205 C CA . VAL A 153 ? 0.1448 0.1148 0.0962 -0.0007 0.0208 -0.0032 153 VAL A CA 1206 C C . VAL A 153 ? 0.1565 0.1219 0.1357 -0.0010 0.0233 0.0024 153 VAL A C 1207 O O . VAL A 153 ? 0.1331 0.1806 0.1389 0.0267 0.0277 0.0063 153 VAL A O 1208 C CB . VAL A 153 ? 0.1574 0.0761 0.1907 0.0200 0.0133 0.0215 153 VAL A CB 1209 C CG1 . VAL A 153 ? 0.1422 0.1480 0.1800 0.0231 0.0121 0.0205 153 VAL A CG1 1210 C CG2 . VAL A 153 ? 0.2042 0.1349 0.1133 0.0210 0.0208 -0.0048 153 VAL A CG2 1211 N N . TRP A 154 ? 0.1244 0.1353 0.1066 -0.0352 0.0106 0.0078 154 TRP A N 1212 C CA . TRP A 154 ? 0.1259 0.1758 0.1206 -0.0539 0.0096 0.0098 154 TRP A CA 1213 C C . TRP A 154 ? 0.1291 0.1465 0.1104 0.0059 -0.0046 0.0042 154 TRP A C 1214 O O . TRP A 154 ? 0.1265 0.1246 0.1679 -0.0064 0.0009 0.0025 154 TRP A O 1215 C CB . TRP A 154 ? 0.1962 0.1457 0.1770 -0.0134 0.0376 0.0170 154 TRP A CB 1216 C CG . TRP A 154 ? 0.1458 0.1456 0.1786 -0.0287 0.0143 0.0128 154 TRP A CG 1217 C CD1 . TRP A 154 ? 0.2232 0.1736 0.1955 0.0027 -0.0041 -0.0081 154 TRP A CD1 1218 C CD2 . TRP A 154 ? 0.2241 0.2149 0.1833 -0.0222 0.0002 0.0097 154 TRP A CD2 1219 N NE1 . TRP A 154 ? 0.2384 0.2031 0.2122 -0.0130 -0.0047 0.0415 154 TRP A NE1 1220 C CE2 . TRP A 154 ? 0.2595 0.1922 0.2159 -0.0052 -0.0314 0.0084 154 TRP A CE2 1221 C CE3 . TRP A 154 ? 0.1942 0.2149 0.2126 -0.0377 -0.0043 0.0253 154 TRP A CE3 1222 C CZ2 . TRP A 154 ? 0.3616 0.2641 0.2490 -0.0039 -0.0049 0.0449 154 TRP A CZ2 1223 C CZ3 . TRP A 154 ? 0.1757 0.2405 0.2035 -0.0047 0.0209 0.0384 154 TRP A CZ3 1224 C CH2 . TRP A 154 ? 0.2646 0.2125 0.2093 -0.0042 0.0212 0.0494 154 TRP A CH2 1225 N N . MET A 155 ? 0.1608 0.1259 0.1178 -0.0210 -0.0016 0.0137 155 MET A N 1226 C CA . MET A 155 ? 0.1810 0.1124 0.1067 0.0158 -0.0270 -0.0161 155 MET A CA 1227 C C . MET A 155 ? 0.1717 0.1066 0.1428 -0.0084 0.0252 -0.0150 155 MET A C 1228 O O . MET A 155 ? 0.1818 0.1559 0.1356 -0.0532 0.0268 -0.0001 155 MET A O 1229 C CB . MET A 155 ? 0.1566 0.1108 0.1430 0.0243 -0.0256 0.0022 155 MET A CB 1230 C CG . MET A 155 ? 0.1248 0.1010 0.1617 0.0125 0.0254 -0.0215 155 MET A CG 1231 S SD . MET A 155 ? 0.1697 0.1410 0.1483 -0.0108 0.0052 -0.0104 155 MET A SD 1232 C CE . MET A 155 ? 0.1907 0.1414 0.1318 -0.0330 0.0290 -0.0298 155 MET A CE 1233 N N A GLU A 156 ? 0.1582 0.1330 0.1639 -0.0033 0.0192 -0.0277 156 GLU A N 1234 N N B GLU A 156 ? 0.1337 0.0893 0.1445 -0.0043 0.0149 -0.0321 156 GLU A N 1235 C CA A GLU A 156 ? 0.1782 0.1674 0.1561 0.0097 0.0050 -0.0198 156 GLU A CA 1236 C CA B GLU A 156 ? 0.1050 0.1016 0.1089 0.0173 0.0000 -0.0121 156 GLU A CA 1237 C C A GLU A 156 ? 0.1780 0.1398 0.1330 -0.0133 -0.0078 -0.0117 156 GLU A C 1238 C C B GLU A 156 ? 0.1103 0.1169 0.0957 -0.0120 -0.0063 0.0078 156 GLU A C 1239 O O A GLU A 156 ? 0.1572 0.1009 0.1502 0.0241 -0.0115 -0.0275 156 GLU A O 1240 O O B GLU A 156 ? 0.0775 0.1085 0.1545 -0.0095 0.0121 -0.0150 156 GLU A O 1241 C CB A GLU A 156 ? 0.1887 0.1932 0.1801 0.0028 -0.0109 -0.0029 156 GLU A CB 1242 C CB B GLU A 156 ? 0.1090 0.1354 0.0706 0.0080 -0.0204 -0.0045 156 GLU A CB 1243 C CG A GLU A 156 ? 0.2074 0.2167 0.1555 0.0112 -0.0106 -0.0103 156 GLU A CG 1244 C CG B GLU A 156 ? 0.1029 0.1102 0.0493 -0.0072 0.0108 0.0002 156 GLU A CG 1245 C CD A GLU A 156 ? 0.2437 0.2322 0.2615 -0.0249 -0.0017 -0.0098 156 GLU A CD 1246 C CD B GLU A 156 ? 0.1363 0.1343 0.1204 -0.0100 -0.0151 -0.0003 156 GLU A CD 1247 O OE1 A GLU A 156 ? 0.2170 0.1101 0.1457 -0.0511 0.0331 -0.0030 156 GLU A OE1 1248 O OE1 B GLU A 156 ? 0.2052 0.1009 0.1459 -0.0059 0.0193 0.0061 156 GLU A OE1 1249 O OE2 A GLU A 156 ? 0.3583 0.2592 0.2779 -0.0108 0.0015 0.0080 156 GLU A OE2 1250 O OE2 B GLU A 156 ? 0.2265 0.1211 0.1560 -0.0564 -0.0162 -0.0069 156 GLU A OE2 1251 N N . ASP A 157 ? 0.1977 0.1255 0.1325 -0.0009 0.0131 -0.0251 157 ASP A N 1252 C CA . ASP A 157 ? 0.1457 0.1098 0.1244 -0.0304 0.0122 -0.0537 157 ASP A CA 1253 C C . ASP A 157 ? 0.1414 0.1278 0.1445 -0.0058 -0.0343 -0.0145 157 ASP A C 1254 O O . ASP A 157 ? 0.1794 0.1409 0.1515 -0.0079 -0.0209 0.0083 157 ASP A O 1255 C CB . ASP A 157 ? 0.1711 0.1237 0.1944 -0.0399 -0.0518 -0.0424 157 ASP A CB 1256 C CG . ASP A 157 ? 0.2029 0.2045 0.2617 -0.0146 -0.0117 -0.0060 157 ASP A CG 1257 O OD1 . ASP A 157 ? 0.1680 0.2295 0.2436 -0.0206 -0.0002 -0.0335 157 ASP A OD1 1258 O OD2 . ASP A 157 ? 0.2990 0.2111 0.3338 -0.0452 -0.0557 -0.0122 157 ASP A OD2 1259 N N . CYS A 158 ? 0.1518 0.1160 0.1185 -0.0216 0.0061 -0.0198 158 CYS A N 1260 C CA . CYS A 158 ? 0.1225 0.0960 0.1549 -0.0166 0.0053 -0.0195 158 CYS A CA 1261 C C . CYS A 158 ? 0.2123 0.1189 0.2040 0.0108 -0.0328 -0.0300 158 CYS A C 1262 O O . CYS A 158 ? 0.1785 0.1976 0.1890 0.0270 -0.0312 -0.0490 158 CYS A O 1263 C CB . CYS A 158 ? 0.1782 0.1026 0.1540 0.0015 0.0105 0.0069 158 CYS A CB 1264 S SG . CYS A 158 ? 0.1790 0.1343 0.1425 0.0033 0.0050 -0.0044 158 CYS A SG 1265 N N A GLU A 159 ? 0.1512 0.1216 0.1295 0.0222 0.0272 -0.0120 159 GLU A N 1266 N N B GLU A 159 ? 0.1535 0.1280 0.1390 0.0214 0.0252 -0.0118 159 GLU A N 1267 C CA A GLU A 159 ? 0.1355 0.1623 0.2086 0.0198 0.0027 0.0079 159 GLU A CA 1268 C CA B GLU A 159 ? 0.1424 0.1701 0.2269 0.0192 0.0067 0.0083 159 GLU A CA 1269 C C A GLU A 159 ? 0.1226 0.0902 0.1183 -0.0094 -0.0098 -0.0171 159 GLU A C 1270 C C B GLU A 159 ? 0.1235 0.1140 0.1151 -0.0105 -0.0157 -0.0220 159 GLU A C 1271 O O A GLU A 159 ? 0.2226 0.1425 0.1614 0.0210 -0.0049 -0.0037 159 GLU A O 1272 O O B GLU A 159 ? 0.2194 0.1309 0.1581 0.0135 -0.0057 -0.0247 159 GLU A O 1273 C CB A GLU A 159 ? 0.1799 0.1345 0.1751 -0.0016 0.0045 0.0012 159 GLU A CB 1274 C CB B GLU A 159 ? 0.2006 0.1617 0.1609 0.0086 -0.0075 0.0031 159 GLU A CB 1275 C CG A GLU A 159 ? 0.1652 0.1524 0.1580 0.0018 -0.0139 -0.0107 159 GLU A CG 1276 C CG B GLU A 159 ? 0.2138 0.1863 0.2659 0.0066 -0.0027 0.0016 159 GLU A CG 1277 C CD A GLU A 159 ? 0.1936 0.1729 0.1272 -0.0128 -0.0220 -0.0094 159 GLU A CD 1278 C CD B GLU A 159 ? 0.3440 0.2873 0.2527 0.0053 -0.0084 0.0073 159 GLU A CD 1279 O OE1 A GLU A 159 ? 0.1968 0.1839 0.2335 -0.0187 -0.0974 0.0198 159 GLU A OE1 1280 O OE1 B GLU A 159 ? 0.2698 0.1859 0.3523 0.0014 -0.0125 0.0256 159 GLU A OE1 1281 O OE2 A GLU A 159 ? 0.1533 0.2656 0.2338 -0.0123 -0.0170 -0.0133 159 GLU A OE2 1282 O OE2 B GLU A 159 ? 0.3477 0.2904 0.2928 0.0303 -0.0367 -0.0601 159 GLU A OE2 1283 N N . ALA A 160 ? 0.1551 0.1570 0.2003 -0.0039 0.0393 0.0037 160 ALA A N 1284 C CA . ALA A 160 ? 0.1701 0.1956 0.1645 0.0135 0.0426 -0.0145 160 ALA A CA 1285 C C . ALA A 160 ? 0.1861 0.2021 0.1705 -0.0084 0.0335 -0.0181 160 ALA A C 1286 O O . ALA A 160 ? 0.2468 0.2368 0.2135 -0.0393 0.0156 -0.0403 160 ALA A O 1287 C CB . ALA A 160 ? 0.2546 0.1745 0.1519 0.0215 0.0312 -0.0073 160 ALA A CB 1288 N N . THR A 161 ? 0.1676 0.1284 0.1808 0.0081 0.0110 -0.0060 161 THR A N 1289 C CA . THR A 161 ? 0.1890 0.1343 0.2060 0.0138 -0.0146 -0.0131 161 THR A CA 1290 C C . THR A 161 ? 0.2009 0.1228 0.1987 0.0302 -0.0424 -0.0507 161 THR A C 1291 O O . THR A 161 ? 0.2271 0.1783 0.2081 0.0844 -0.0325 -0.0496 161 THR A O 1292 C CB . THR A 161 ? 0.1885 0.1395 0.2347 -0.0029 0.0193 -0.0202 161 THR A CB 1293 O OG1 . THR A 161 ? 0.1981 0.1654 0.1928 -0.0111 -0.0223 0.0020 161 THR A OG1 1294 C CG2 . THR A 161 ? 0.2216 0.1737 0.1818 0.0096 0.0005 -0.0103 161 THR A CG2 1295 N N . SER A 162 ? 0.1596 0.1102 0.1207 0.0085 -0.0094 -0.0284 162 SER A N 1296 C CA . SER A 162 ? 0.1499 0.1600 0.1198 0.0149 -0.0121 -0.0077 162 SER A CA 1297 C C . SER A 162 ? 0.1530 0.1241 0.1301 0.0050 0.0050 0.0249 162 SER A C 1298 O O . SER A 162 ? 0.1535 0.1039 0.1548 0.0061 0.0042 0.0064 162 SER A O 1299 C CB . SER A 162 ? 0.1544 0.1333 0.1307 -0.0283 0.0289 -0.0019 162 SER A CB 1300 O OG . SER A 162 ? 0.1691 0.1910 0.1178 0.0014 -0.0018 -0.0026 162 SER A OG 1301 N N . LEU A 163 ? 0.1462 0.1296 0.1418 -0.0047 -0.0063 0.0276 163 LEU A N 1302 C CA . LEU A 163 ? 0.1548 0.1430 0.1423 0.0255 -0.0222 -0.0068 163 LEU A CA 1303 C C . LEU A 163 ? 0.1308 0.1242 0.1241 -0.0150 0.0113 -0.0057 163 LEU A C 1304 O O . LEU A 163 ? 0.1260 0.1426 0.1453 -0.0205 0.0266 -0.0093 163 LEU A O 1305 C CB . LEU A 163 ? 0.1438 0.1850 0.1616 0.0270 -0.0028 -0.0256 163 LEU A CB 1306 C CG . LEU A 163 ? 0.1963 0.2632 0.2324 0.0877 0.0086 -0.0307 163 LEU A CG 1307 C CD1 . LEU A 163 ? 0.2200 0.3176 0.3325 0.0434 -0.0380 -0.0133 163 LEU A CD1 1308 C CD2 . LEU A 163 ? 0.2463 0.2637 0.3266 0.0154 0.0438 0.0258 163 LEU A CD2 1309 N N . GLN A 164 ? 0.1515 0.1400 0.1250 0.0269 0.0320 0.0098 164 GLN A N 1310 C CA . GLN A 164 ? 0.1636 0.1248 0.1648 0.0242 0.0310 0.0297 164 GLN A CA 1311 C C . GLN A 164 ? 0.1860 0.1153 0.1252 0.0116 0.0141 0.0165 164 GLN A C 1312 O O . GLN A 164 ? 0.1633 0.1458 0.1410 0.0262 0.0045 -0.0075 164 GLN A O 1313 C CB . GLN A 164 ? 0.1736 0.1416 0.1527 -0.0233 -0.0009 0.0344 164 GLN A CB 1314 C CG . GLN A 164 ? 0.2342 0.1819 0.1679 0.0125 -0.0022 0.0533 164 GLN A CG 1315 C CD . GLN A 164 ? 0.2173 0.1842 0.1850 -0.0029 0.0133 0.0194 164 GLN A CD 1316 O OE1 . GLN A 164 ? 0.2520 0.1843 0.2793 -0.0153 0.0217 -0.0241 164 GLN A OE1 1317 N NE2 . GLN A 164 ? 0.2054 0.1410 0.1417 -0.0019 0.0085 0.0213 164 GLN A NE2 1318 N N . GLN A 165 ? 0.1193 0.1356 0.1032 0.0149 0.0084 0.0188 165 GLN A N 1319 C CA . GLN A 165 ? 0.1202 0.1033 0.1290 -0.0037 -0.0203 0.0062 165 GLN A CA 1320 C C . GLN A 165 ? 0.1005 0.0954 0.1069 0.0157 0.0042 0.0068 165 GLN A C 1321 O O . GLN A 165 ? 0.1344 0.1101 0.1267 0.0011 0.0086 0.0150 165 GLN A O 1322 C CB . GLN A 165 ? 0.1284 0.1019 0.1196 -0.0299 -0.0061 -0.0042 165 GLN A CB 1323 C CG . GLN A 165 ? 0.0999 0.0933 0.1535 -0.0447 -0.0258 0.0177 165 GLN A CG 1324 C CD . GLN A 165 ? 0.1277 0.1662 0.1157 -0.0002 0.0025 -0.0031 165 GLN A CD 1325 O OE1 . GLN A 165 ? 0.1641 0.0949 0.1213 -0.0115 -0.0140 0.0069 165 GLN A OE1 1326 N NE2 . GLN A 165 ? 0.1702 0.1026 0.1833 0.0013 0.0000 -0.0135 165 GLN A NE2 1327 N N . GLN A 166 ? 0.0916 0.1114 0.1016 -0.0198 0.0145 -0.0245 166 GLN A N 1328 C CA . GLN A 166 ? 0.0970 0.0872 0.1152 -0.0179 -0.0011 -0.0194 166 GLN A CA 1329 C C . GLN A 166 ? 0.1351 0.0978 0.1331 -0.0285 -0.0041 -0.0069 166 GLN A C 1330 O O . GLN A 166 ? 0.1419 0.1196 0.1395 0.0001 -0.0195 0.0038 166 GLN A O 1331 C CB . GLN A 166 ? 0.1207 0.1328 0.1289 0.0181 -0.0110 -0.0169 166 GLN A CB 1332 C CG . GLN A 166 ? 0.1484 0.1091 0.1024 0.0162 0.0120 -0.0109 166 GLN A CG 1333 C CD . GLN A 166 ? 0.1929 0.1804 0.1746 0.0025 0.0370 0.0235 166 GLN A CD 1334 O OE1 . GLN A 166 ? 0.1935 0.1682 0.2306 0.0121 0.0186 -0.0117 166 GLN A OE1 1335 N NE2 . GLN A 166 ? 0.2360 0.1681 0.1883 0.0129 -0.0047 0.0072 166 GLN A NE2 1336 N N . TRP A 167 ? 0.1115 0.0878 0.1240 -0.0325 0.0235 -0.0031 167 TRP A N 1337 C CA . TRP A 167 ? 0.0824 0.1383 0.1338 -0.0055 -0.0190 -0.0260 167 TRP A CA 1338 C C . TRP A 167 ? 0.1350 0.1389 0.1037 -0.0237 0.0058 -0.0028 167 TRP A C 1339 O O . TRP A 167 ? 0.1385 0.1562 0.1185 -0.0413 0.0107 0.0032 167 TRP A O 1340 C CB . TRP A 167 ? 0.0854 0.1118 0.1744 0.0069 0.0246 0.0152 167 TRP A CB 1341 C CG . TRP A 167 ? 0.1054 0.1184 0.0794 -0.0185 -0.0082 0.0059 167 TRP A CG 1342 C CD1 . TRP A 167 ? 0.0981 0.1060 0.1616 -0.0091 -0.0085 0.0209 167 TRP A CD1 1343 C CD2 . TRP A 167 ? 0.1241 0.1100 0.1049 0.0153 0.0137 0.0043 167 TRP A CD2 1344 N NE1 . TRP A 167 ? 0.1297 0.1016 0.0912 0.0038 0.0330 -0.0042 167 TRP A NE1 1345 C CE2 . TRP A 167 ? 0.1273 0.1102 0.0774 -0.0070 0.0228 0.0121 167 TRP A CE2 1346 C CE3 . TRP A 167 ? 0.1604 0.1352 0.1064 0.0323 0.0284 0.0166 167 TRP A CE3 1347 C CZ2 . TRP A 167 ? 0.1398 0.1075 0.1357 0.0127 0.0285 0.0294 167 TRP A CZ2 1348 C CZ3 . TRP A 167 ? 0.1275 0.1142 0.1275 0.0020 -0.0092 0.0168 167 TRP A CZ3 1349 C CH2 . TRP A 167 ? 0.1375 0.0849 0.1573 -0.0199 0.0258 -0.0072 167 TRP A CH2 1350 N N . ALA A 168 ? 0.1259 0.1180 0.1110 -0.0237 0.0005 -0.0091 168 ALA A N 1351 C CA . ALA A 168 ? 0.1147 0.1371 0.1418 -0.0130 0.0060 -0.0154 168 ALA A CA 1352 C C . ALA A 168 ? 0.0917 0.1295 0.0973 0.0199 0.0062 0.0227 168 ALA A C 1353 O O . ALA A 168 ? 0.1153 0.1415 0.1172 -0.0231 0.0127 -0.0150 168 ALA A O 1354 C CB . ALA A 168 ? 0.1092 0.1562 0.1431 0.0298 -0.0115 0.0027 168 ALA A CB 1355 N N . LEU A 169 ? 0.1422 0.0960 0.1244 0.0000 -0.0106 0.0195 169 LEU A N 1356 C CA . LEU A 169 ? 0.1519 0.1253 0.1494 0.0071 -0.0384 -0.0002 169 LEU A CA 1357 C C . LEU A 169 ? 0.1505 0.1426 0.1432 0.0030 -0.0009 0.0046 169 LEU A C 1358 O O . LEU A 169 ? 0.1368 0.1738 0.1267 -0.0094 -0.0145 0.0058 169 LEU A O 1359 C CB . LEU A 169 ? 0.1339 0.1371 0.1545 -0.0253 -0.0223 0.0090 169 LEU A CB 1360 C CG . LEU A 169 ? 0.1380 0.1638 0.1462 -0.0194 -0.0277 0.0060 169 LEU A CG 1361 C CD1 . LEU A 169 ? 0.2435 0.2138 0.1831 -0.0067 -0.0479 0.0325 169 LEU A CD1 1362 C CD2 . LEU A 169 ? 0.2453 0.2372 0.1850 -0.0091 0.0487 0.0236 169 LEU A CD2 1363 N N . TYR A 170 ? 0.1171 0.1019 0.1229 -0.0164 -0.0053 0.0073 170 TYR A N 1364 C CA . TYR A 170 ? 0.1070 0.0926 0.0813 -0.0294 -0.0075 -0.0233 170 TYR A CA 1365 C C . TYR A 170 ? 0.1184 0.1161 0.1129 -0.0071 -0.0128 -0.0007 170 TYR A C 1366 O O . TYR A 170 ? 0.1237 0.1188 0.1192 -0.0015 -0.0028 -0.0153 170 TYR A O 1367 C CB . TYR A 170 ? 0.1245 0.1200 0.0984 0.0055 -0.0247 0.0007 170 TYR A CB 1368 C CG . TYR A 170 ? 0.1171 0.1424 0.1053 0.0056 -0.0100 0.0179 170 TYR A CG 1369 C CD1 . TYR A 170 ? 0.1588 0.1290 0.1124 0.0297 0.0162 0.0139 170 TYR A CD1 1370 C CD2 . TYR A 170 ? 0.1170 0.1354 0.1472 -0.0005 -0.0262 -0.0094 170 TYR A CD2 1371 C CE1 . TYR A 170 ? 0.1227 0.1186 0.1363 -0.0115 -0.0491 -0.0071 170 TYR A CE1 1372 C CE2 . TYR A 170 ? 0.1593 0.1091 0.2440 0.0360 -0.0248 -0.0117 170 TYR A CE2 1373 C CZ . TYR A 170 ? 0.0978 0.1485 0.1825 0.0224 -0.0263 -0.0011 170 TYR A CZ 1374 O OH . TYR A 170 ? 0.1688 0.1459 0.2647 0.0187 -0.0121 0.0133 170 TYR A OH 1375 N N . GLY A 171 ? 0.1032 0.0866 0.1360 -0.0217 -0.0090 -0.0039 171 GLY A N 1376 C CA . GLY A 171 ? 0.1569 0.0947 0.1019 0.0143 -0.0040 -0.0095 171 GLY A CA 1377 C C . GLY A 171 ? 0.0923 0.1020 0.1143 0.0083 -0.0064 0.0076 171 GLY A C 1378 O O . GLY A 171 ? 0.1146 0.1106 0.1179 0.0142 -0.0144 0.0238 171 GLY A O 1379 N N . ASP A 172 ? 0.1146 0.1457 0.0934 -0.0220 0.0050 0.0004 172 ASP A N 1380 C CA . ASP A 172 ? 0.0770 0.1431 0.0763 0.0108 -0.0088 -0.0001 172 ASP A CA 1381 C C . ASP A 172 ? 0.0903 0.0900 0.0916 -0.0063 -0.0139 0.0068 172 ASP A C 1382 O O . ASP A 172 ? 0.1358 0.1395 0.0947 0.0145 -0.0062 -0.0005 172 ASP A O 1383 C CB . ASP A 172 ? 0.1193 0.0804 0.1343 -0.0097 -0.0160 0.0128 172 ASP A CB 1384 C CG . ASP A 172 ? 0.1011 0.1006 0.1104 -0.0115 0.0056 0.0118 172 ASP A CG 1385 O OD1 . ASP A 172 ? 0.1140 0.1266 0.1063 0.0127 -0.0189 0.0139 172 ASP A OD1 1386 O OD2 . ASP A 172 ? 0.1060 0.1218 0.1315 -0.0112 -0.0150 0.0253 172 ASP A OD2 1387 N N . ARG A 173 ? 0.0732 0.1100 0.1179 -0.0077 -0.0294 -0.0115 173 ARG A N 1388 C CA . ARG A 173 ? 0.0711 0.0767 0.1430 -0.0031 -0.0123 0.0107 173 ARG A CA 1389 C C . ARG A 173 ? 0.0899 0.1107 0.1060 0.0004 0.0051 0.0063 173 ARG A C 1390 O O . ARG A 173 ? 0.1078 0.1284 0.1646 -0.0004 0.0182 0.0265 173 ARG A O 1391 C CB . ARG A 173 ? 0.0846 0.0655 0.1469 -0.0072 -0.0147 0.0130 173 ARG A CB 1392 C CG . ARG A 173 ? 0.0925 0.1172 0.1484 -0.0047 0.0249 0.0148 173 ARG A CG 1393 C CD . ARG A 173 ? 0.1392 0.1795 0.1435 -0.0334 0.0019 0.0384 173 ARG A CD 1394 N NE . ARG A 173 ? 0.1196 0.1064 0.1626 -0.0158 -0.0027 0.0356 173 ARG A NE 1395 C CZ . ARG A 173 ? 0.2132 0.1525 0.1773 -0.0411 -0.0452 0.0322 173 ARG A CZ 1396 N NH1 . ARG A 173 ? 0.1735 0.1974 0.1850 -0.0537 -0.0228 0.0258 173 ARG A NH1 1397 N NH2 . ARG A 173 ? 0.2441 0.2584 0.2571 -0.0557 -0.0805 0.0627 173 ARG A NH2 1398 N N . THR A 174 ? 0.0888 0.0949 0.1040 0.0118 0.0019 0.0150 174 THR A N 1399 C CA . THR A 174 ? 0.1002 0.0793 0.1410 -0.0110 -0.0299 0.0058 174 THR A CA 1400 C C . THR A 174 ? 0.0950 0.1198 0.1117 0.0112 0.0129 0.0040 174 THR A C 1401 O O . THR A 174 ? 0.1179 0.1151 0.1252 -0.0128 0.0207 0.0115 174 THR A O 1402 C CB . THR A 174 ? 0.0919 0.1235 0.0920 0.0296 0.0051 -0.0085 174 THR A CB 1403 O OG1 . THR A 174 ? 0.1170 0.1107 0.1079 0.0311 0.0208 -0.0025 174 THR A OG1 1404 C CG2 . THR A 174 ? 0.1206 0.1143 0.0783 0.0107 0.0000 0.0005 174 THR A CG2 1405 N N . ILE A 175 ? 0.0798 0.1060 0.1234 -0.0155 -0.0316 -0.0239 175 ILE A N 1406 C CA . ILE A 175 ? 0.0687 0.0884 0.1045 -0.0115 -0.0240 -0.0082 175 ILE A CA 1407 C C . ILE A 175 ? 0.1006 0.0987 0.1046 -0.0129 -0.0081 -0.0095 175 ILE A C 1408 O O . ILE A 175 ? 0.0915 0.1438 0.1336 0.0067 0.0090 0.0149 175 ILE A O 1409 C CB . ILE A 175 ? 0.0692 0.0961 0.1064 0.0073 0.0025 -0.0034 175 ILE A CB 1410 C CG1 . ILE A 175 ? 0.0824 0.1248 0.0895 0.0156 -0.0163 0.0008 175 ILE A CG1 1411 C CG2 . ILE A 175 ? 0.1009 0.1269 0.1335 0.0048 0.0053 -0.0306 175 ILE A CG2 1412 C CD1 . ILE A 175 ? 0.0787 0.1355 0.1602 0.0221 -0.0306 -0.0241 175 ILE A CD1 1413 N N . ARG A 176 ? 0.1053 0.1196 0.1139 0.0283 0.0025 0.0182 176 ARG A N 1414 C CA . ARG A 176 ? 0.0923 0.0836 0.1267 0.0100 -0.0047 0.0069 176 ARG A CA 1415 C C . ARG A 176 ? 0.1359 0.1048 0.0884 -0.0170 -0.0061 0.0103 176 ARG A C 1416 O O . ARG A 176 ? 0.1260 0.1147 0.0994 0.0095 -0.0111 0.0039 176 ARG A O 1417 C CB . ARG A 176 ? 0.0965 0.1053 0.1103 -0.0038 -0.0112 -0.0128 176 ARG A CB 1418 C CG . ARG A 176 ? 0.1291 0.1236 0.1109 -0.0022 -0.0474 -0.0213 176 ARG A CG 1419 C CD . ARG A 176 ? 0.1338 0.1435 0.1224 -0.0184 -0.0468 -0.0169 176 ARG A CD 1420 N NE . ARG A 176 ? 0.1186 0.1050 0.0876 -0.0036 -0.0139 -0.0165 176 ARG A NE 1421 C CZ . ARG A 176 ? 0.1163 0.1007 0.0891 -0.0069 -0.0059 -0.0212 176 ARG A CZ 1422 N NH1 . ARG A 176 ? 0.1128 0.1243 0.1172 -0.0111 0.0092 -0.0196 176 ARG A NH1 1423 N NH2 . ARG A 176 ? 0.1288 0.1181 0.1351 0.0108 0.0087 0.0125 176 ARG A NH2 1424 N N . VAL A 177 ? 0.1117 0.0700 0.1649 -0.0174 0.0009 0.0024 177 VAL A N 1425 C CA . VAL A 177 ? 0.1418 0.0979 0.1577 0.0038 -0.0069 0.0194 177 VAL A CA 1426 C C . VAL A 177 ? 0.1932 0.1438 0.1116 0.0191 0.0035 0.0386 177 VAL A C 1427 O O . VAL A 177 ? 0.1701 0.1058 0.1669 0.0022 0.0145 -0.0265 177 VAL A O 1428 C CB . VAL A 177 ? 0.1604 0.1102 0.1553 0.0349 0.0152 0.0332 177 VAL A CB 1429 C CG1 . VAL A 177 ? 0.1958 0.1233 0.2154 0.0098 0.0134 -0.0052 177 VAL A CG1 1430 C CG2 . VAL A 177 ? 0.1495 0.1684 0.1754 0.0145 0.0285 0.0195 177 VAL A CG2 1431 N N . ASN A 178 ? 0.1468 0.1442 0.1167 0.0163 0.0157 -0.0028 178 ASN A N 1432 C CA . ASN A 178 ? 0.1650 0.1092 0.1189 0.0280 0.0103 0.0410 178 ASN A CA 1433 C C . ASN A 178 ? 0.1576 0.1553 0.1387 0.0155 -0.0228 -0.0202 178 ASN A C 1434 O O . ASN A 178 ? 0.1763 0.1592 0.1909 0.0286 -0.0304 -0.0232 178 ASN A O 1435 C CB . ASN A 178 ? 0.1124 0.2055 0.1401 -0.0091 0.0378 -0.0078 178 ASN A CB 1436 C CG . ASN A 178 ? 0.1337 0.1846 0.1582 0.0044 0.0089 -0.0148 178 ASN A CG 1437 O OD1 . ASN A 178 ? 0.1661 0.1599 0.1631 0.0098 0.0005 -0.0158 178 ASN A OD1 1438 N ND2 . ASN A 178 ? 0.1664 0.1806 0.2271 0.0425 0.0335 -0.0080 178 ASN A ND2 1439 N N A SER A 179 ? 0.2078 0.1419 0.1722 0.0282 -0.0048 -0.0118 179 SER A N 1440 N N B SER A 179 ? 0.1811 0.1331 0.1435 0.0355 -0.0020 -0.0176 179 SER A N 1441 C CA A SER A 179 ? 0.2018 0.1520 0.1759 0.0153 -0.0317 0.0065 179 SER A CA 1442 C CA B SER A 179 ? 0.1875 0.1615 0.1721 0.0224 -0.0302 0.0114 179 SER A CA 1443 C C A SER A 179 ? 0.1638 0.1514 0.1406 0.0163 0.0233 -0.0004 179 SER A C 1444 C C B SER A 179 ? 0.1384 0.1100 0.1301 0.0062 0.0178 0.0006 179 SER A C 1445 O O A SER A 179 ? 0.1835 0.1408 0.2157 0.0051 -0.0229 0.0203 179 SER A O 1446 O O B SER A 179 ? 0.1820 0.0787 0.1852 0.0252 -0.0077 0.0047 179 SER A O 1447 C CB A SER A 179 ? 0.2349 0.1697 0.2442 0.0009 -0.0258 -0.0054 179 SER A CB 1448 C CB B SER A 179 ? 0.2102 0.1610 0.2212 0.0203 0.0150 0.0107 179 SER A CB 1449 O OG A SER A 179 ? 0.2945 0.1620 0.3077 -0.0135 0.0274 0.0531 179 SER A OG 1450 O OG B SER A 179 ? 0.3428 0.1640 0.2678 0.0155 -0.0323 -0.0130 179 SER A OG 1451 N N . THR A 180 ? 0.1844 0.1763 0.1676 0.0375 0.0277 -0.0285 180 THR A N 1452 C CA . THR A 180 ? 0.1653 0.1019 0.1688 0.0133 -0.0036 0.0066 180 THR A CA 1453 C C . THR A 180 ? 0.1919 0.1359 0.2010 0.0169 0.0081 -0.0152 180 THR A C 1454 O O . THR A 180 ? 0.1565 0.1224 0.1478 0.0080 -0.0045 0.0177 180 THR A O 1455 C CB . THR A 180 ? 0.2342 0.1589 0.1763 -0.0345 0.0106 0.0018 180 THR A CB 1456 O OG1 . THR A 180 ? 0.2560 0.1808 0.2672 -0.0291 0.0231 -0.0484 180 THR A OG1 1457 C CG2 . THR A 180 ? 0.2015 0.2259 0.2150 0.0452 0.0024 0.0566 180 THR A CG2 1458 N N . ARG A 181 ? 0.1944 0.1155 0.1649 0.0154 -0.0178 0.0255 181 ARG A N 1459 C CA . ARG A 181 ? 0.1366 0.1065 0.1255 0.0059 0.0122 0.0042 181 ARG A CA 1460 C C . ARG A 181 ? 0.1325 0.1240 0.1431 0.0255 -0.0163 0.0024 181 ARG A C 1461 O O . ARG A 181 ? 0.1753 0.1309 0.1607 0.0273 -0.0039 -0.0018 181 ARG A O 1462 C CB . ARG A 181 ? 0.1486 0.1454 0.1553 -0.0078 0.0095 0.0020 181 ARG A CB 1463 C CG . ARG A 181 ? 0.1567 0.2051 0.1289 0.0155 0.0190 0.0101 181 ARG A CG 1464 C CD . ARG A 181 ? 0.2012 0.2398 0.1595 -0.0078 0.0153 0.0233 181 ARG A CD 1465 N NE . ARG A 181 ? 0.1737 0.1400 0.1449 0.0068 0.0074 0.0132 181 ARG A NE 1466 C CZ . ARG A 181 ? 0.1869 0.1694 0.1918 -0.0076 -0.0068 0.0358 181 ARG A CZ 1467 N NH1 . ARG A 181 ? 0.1811 0.2520 0.1683 0.0224 0.0186 0.0100 181 ARG A NH1 1468 N NH2 . ARG A 181 ? 0.2088 0.1785 0.2192 0.0035 -0.0274 0.0077 181 ARG A NH2 1469 N N . GLY A 182 ? 0.1222 0.1459 0.1336 0.0382 0.0002 0.0114 182 GLY A N 1470 C CA . GLY A 182 ? 0.1318 0.1538 0.1275 0.0208 -0.0053 -0.0218 182 GLY A CA 1471 C C . GLY A 182 ? 0.1490 0.1369 0.1167 0.0452 -0.0088 0.0008 182 GLY A C 1472 O O . GLY A 182 ? 0.1709 0.1754 0.1507 0.0419 0.0268 0.0016 182 GLY A O 1473 N N . LEU A 183 ? 0.1135 0.1143 0.1620 0.0062 0.0025 0.0276 183 LEU A N 1474 C CA . LEU A 183 ? 0.1078 0.1143 0.1621 0.0398 -0.0111 0.0197 183 LEU A CA 1475 C C . LEU A 183 ? 0.1397 0.1181 0.0879 0.0245 -0.0013 0.0185 183 LEU A C 1476 O O . LEU A 183 ? 0.1442 0.1299 0.1174 0.0227 0.0097 0.0132 183 LEU A O 1477 C CB . LEU A 183 ? 0.1691 0.1242 0.1915 0.0122 0.0046 0.0567 183 LEU A CB 1478 C CG . LEU A 183 ? 0.1780 0.1257 0.1789 0.0235 0.0121 0.0485 183 LEU A CG 1479 C CD1 . LEU A 183 ? 0.1541 0.1183 0.2116 0.0084 0.0167 0.0227 183 LEU A CD1 1480 C CD2 . LEU A 183 ? 0.2534 0.2194 0.1597 0.0333 0.0231 0.0041 183 LEU A CD2 1481 N N . CYS A 184 ? 0.1029 0.1209 0.1278 0.0347 -0.0093 0.0181 184 CYS A N 1482 C CA . CYS A 184 ? 0.1339 0.0905 0.1429 0.0228 -0.0045 0.0071 184 CYS A CA 1483 C C . CYS A 184 ? 0.1283 0.1387 0.1171 -0.0041 -0.0001 0.0285 184 CYS A C 1484 O O . CYS A 184 ? 0.1133 0.1114 0.1021 0.0100 0.0006 0.0142 184 CYS A O 1485 C CB . CYS A 184 ? 0.1243 0.1493 0.1195 -0.0122 0.0013 -0.0020 184 CYS A CB 1486 S SG . CYS A 184 ? 0.1495 0.1597 0.1468 -0.0028 -0.0064 0.0075 184 CYS A SG 1487 N N . VAL A 185 ? 0.0748 0.1207 0.1192 -0.0173 -0.0108 0.0252 185 VAL A N 1488 C CA . VAL A 185 ? 0.0810 0.1500 0.0689 0.0253 -0.0272 0.0076 185 VAL A CA 1489 C C . VAL A 185 ? 0.1172 0.0908 0.0915 0.0035 -0.0009 0.0039 185 VAL A C 1490 O O . VAL A 185 ? 0.1224 0.1205 0.1306 0.0119 0.0309 -0.0162 185 VAL A O 1491 C CB . VAL A 185 ? 0.1237 0.1233 0.0722 0.0372 0.0070 0.0027 185 VAL A CB 1492 C CG1 . VAL A 185 ? 0.0976 0.1723 0.1296 0.0257 0.0112 0.0092 185 VAL A CG1 1493 C CG2 . VAL A 185 ? 0.1577 0.1407 0.1108 0.0102 0.0016 -0.0283 185 VAL A CG2 1494 N N . THR A 186 ? 0.1168 0.1025 0.0936 0.0194 0.0157 0.0029 186 THR A N 1495 C CA . THR A 186 ? 0.1058 0.1281 0.0857 0.0151 0.0037 -0.0005 186 THR A CA 1496 C C . THR A 186 ? 0.1259 0.1259 0.1508 0.0065 0.0165 -0.0207 186 THR A C 1497 O O . THR A 186 ? 0.1243 0.1426 0.1339 0.0000 0.0168 -0.0023 186 THR A O 1498 C CB . THR A 186 ? 0.0947 0.1329 0.0712 0.0293 -0.0047 0.0164 186 THR A CB 1499 O OG1 . THR A 186 ? 0.1137 0.1123 0.1445 0.0030 0.0052 -0.0057 186 THR A OG1 1500 C CG2 . THR A 186 ? 0.1377 0.1508 0.0585 0.0007 0.0170 0.0105 186 THR A CG2 1501 N N . THR A 187 ? 0.0701 0.1359 0.1577 0.0291 0.0235 -0.0047 187 THR A N 1502 C CA . THR A 187 ? 0.0957 0.1376 0.1431 0.0436 0.0353 0.0125 187 THR A CA 1503 C C . THR A 187 ? 0.1658 0.1754 0.1463 0.0048 0.0237 -0.0222 187 THR A C 1504 O O . THR A 187 ? 0.1624 0.2070 0.1760 -0.0219 0.0365 -0.0374 187 THR A O 1505 C CB . THR A 187 ? 0.1433 0.1646 0.2126 0.0171 0.0459 -0.0165 187 THR A CB 1506 O OG1 . THR A 187 ? 0.1363 0.1823 0.2190 -0.0091 0.0264 0.0007 187 THR A OG1 1507 C CG2 . THR A 187 ? 0.1082 0.1579 0.2990 0.0043 0.0342 -0.0386 187 THR A CG2 1508 N N . ASN A 188 ? 0.1952 0.1536 0.1130 -0.0217 0.0164 0.0134 188 ASN A N 1509 C CA . ASN A 188 ? 0.1776 0.1341 0.1312 -0.0045 0.0240 -0.0201 188 ASN A CA 1510 C C . ASN A 188 ? 0.2096 0.2016 0.1767 0.0222 0.0374 0.0066 188 ASN A C 1511 O O . ASN A 188 ? 0.2445 0.3165 0.2782 -0.0295 0.0447 0.0385 188 ASN A O 1512 C CB . ASN A 188 ? 0.2842 0.1862 0.1436 -0.0543 0.0128 0.0278 188 ASN A CB 1513 C CG . ASN A 188 ? 0.4387 0.3922 0.3233 0.0066 -0.0258 0.0560 188 ASN A CG 1514 O OD1 . ASN A 188 ? 0.5227 0.4608 0.3520 0.0017 -0.0030 0.0209 188 ASN A OD1 1515 N ND2 . ASN A 188 ? 0.5074 0.4357 0.5212 -0.0144 0.0127 0.0188 188 ASN A ND2 1516 N N . GLY A 189 ? 0.2548 0.2460 0.1908 -0.0328 0.0531 -0.0513 189 GLY A N 1517 C CA . GLY A 189 ? 0.2115 0.2106 0.1929 0.0414 0.0031 0.0175 189 GLY A CA 1518 C C . GLY A 189 ? 0.1268 0.1945 0.1947 0.0023 0.0145 -0.0119 189 GLY A C 1519 O O . GLY A 189 ? 0.2343 0.2534 0.1863 0.0136 0.0516 0.0231 189 GLY A O 1520 N N . TYR A 190 ? 0.1922 0.1982 0.1650 -0.0173 0.0185 -0.0228 190 TYR A N 1521 C CA . TYR A 190 ? 0.1901 0.2269 0.2381 0.0044 0.0190 -0.0150 190 TYR A CA 1522 C C . TYR A 190 ? 0.1848 0.2140 0.1557 0.0192 0.0129 -0.0270 190 TYR A C 1523 O O . TYR A 190 ? 0.1427 0.2703 0.2262 0.0143 0.0205 0.0068 190 TYR A O 1524 C CB . TYR A 190 ? 0.2101 0.2234 0.1500 0.0177 0.0330 -0.0403 190 TYR A CB 1525 C CG . TYR A 190 ? 0.2055 0.2295 0.2142 -0.0184 -0.0224 -0.0291 190 TYR A CG 1526 C CD1 . TYR A 190 ? 0.2537 0.2592 0.1908 -0.0215 0.0059 0.0259 190 TYR A CD1 1527 C CD2 . TYR A 190 ? 0.2096 0.1362 0.2259 0.0105 -0.0103 0.0114 190 TYR A CD2 1528 C CE1 . TYR A 190 ? 0.2133 0.3018 0.1802 -0.0197 0.0227 -0.0558 190 TYR A CE1 1529 C CE2 . TYR A 190 ? 0.1946 0.1715 0.2165 0.0020 -0.0120 0.0218 190 TYR A CE2 1530 C CZ . TYR A 190 ? 0.2101 0.2263 0.1893 -0.0282 0.0311 -0.0213 190 TYR A CZ 1531 O OH . TYR A 190 ? 0.2509 0.2381 0.2014 -0.0044 0.0199 0.0099 190 TYR A OH 1532 N N . ASN A 191 ? 0.1682 0.2288 0.1979 0.0065 -0.0033 -0.0359 191 ASN A N 1533 C CA . ASN A 191 ? 0.1682 0.2527 0.1774 -0.0214 0.0188 -0.0234 191 ASN A CA 1534 C C . ASN A 191 ? 0.1415 0.1682 0.1534 -0.0198 0.0100 0.0171 191 ASN A C 1535 O O . ASN A 191 ? 0.1539 0.1879 0.1971 0.0100 0.0347 -0.0117 191 ASN A O 1536 C CB . ASN A 191 ? 0.2479 0.3199 0.1539 0.0094 0.0291 -0.0010 191 ASN A CB 1537 C CG . ASN A 191 ? 0.2981 0.3408 0.2889 -0.0078 0.0278 -0.0266 191 ASN A CG 1538 O OD1 . ASN A 191 ? 0.3855 0.3457 0.3400 -0.0337 0.0610 -0.0812 191 ASN A OD1 1539 N ND2 . ASN A 191 ? 0.3198 0.3747 0.3143 -0.0132 0.0148 -0.0030 191 ASN A ND2 1540 N N . SER A 192 ? 0.1418 0.2144 0.1554 -0.0006 0.0026 -0.0133 192 SER A N 1541 C CA . SER A 192 ? 0.1417 0.1734 0.1925 0.0062 0.0041 0.0008 192 SER A CA 1542 C C . SER A 192 ? 0.1462 0.1747 0.1988 0.0407 0.0443 -0.0053 192 SER A C 1543 O O . SER A 192 ? 0.2147 0.2008 0.1834 0.0096 0.0624 -0.0111 192 SER A O 1544 C CB . SER A 192 ? 0.1655 0.2980 0.2781 0.0242 -0.0218 -0.0125 192 SER A CB 1545 O OG . SER A 192 ? 0.2588 0.3100 0.2852 0.0315 0.0163 -0.0236 192 SER A OG 1546 N N . LYS A 193 ? 0.1505 0.1549 0.1827 0.0110 0.0233 -0.0253 193 LYS A N 1547 C CA . LYS A 193 ? 0.1407 0.1763 0.1988 0.0160 0.0403 0.0201 193 LYS A CA 1548 C C . LYS A 193 ? 0.1645 0.2158 0.1730 -0.0121 -0.0029 -0.0100 193 LYS A C 1549 O O . LYS A 193 ? 0.1748 0.1867 0.2528 -0.0038 -0.0192 0.0182 193 LYS A O 1550 C CB . LYS A 193 ? 0.1500 0.1894 0.2547 -0.0210 0.0189 0.0422 193 LYS A CB 1551 C CG . LYS A 193 ? 0.2356 0.3605 0.3037 0.0156 0.0067 0.0056 193 LYS A CG 1552 C CD . LYS A 193 ? 0.1306 0.3263 0.4569 0.0049 -0.0242 0.0500 193 LYS A CD 1553 C CE . LYS A 193 ? 0.4147 0.4069 0.4846 -0.0174 0.0345 0.0155 193 LYS A CE 1554 N NZ . LYS A 193 ? 0.3457 0.4706 0.4670 -0.0455 0.0546 -0.0235 193 LYS A NZ 1555 N N . ASP A 194 ? 0.1466 0.1735 0.1661 0.0034 0.0243 -0.0160 194 ASP A N 1556 C CA . ASP A 194 ? 0.1577 0.1819 0.1533 0.0138 0.0201 -0.0327 194 ASP A CA 1557 C C . ASP A 194 ? 0.1566 0.1423 0.1262 -0.0061 0.0196 -0.0055 194 ASP A C 1558 O O . ASP A 194 ? 0.1597 0.1426 0.1432 0.0021 0.0070 0.0219 194 ASP A O 1559 C CB . ASP A 194 ? 0.1774 0.2284 0.1420 -0.0090 0.0091 -0.0376 194 ASP A CB 1560 C CG . ASP A 194 ? 0.2009 0.1679 0.2054 0.0163 0.0135 -0.0270 194 ASP A CG 1561 O OD1 . ASP A 194 ? 0.2592 0.2626 0.1762 -0.0264 0.0287 -0.0200 194 ASP A OD1 1562 O OD2 . ASP A 194 ? 0.2212 0.2013 0.1984 -0.0170 0.0172 -0.0330 194 ASP A OD2 1563 N N A LEU A 195 ? 0.1252 0.1545 0.1783 0.0106 0.0218 -0.0065 195 LEU A N 1564 N N B LEU A 195 ? 0.1170 0.1461 0.1645 0.0149 0.0220 -0.0148 195 LEU A N 1565 C CA A LEU A 195 ? 0.1333 0.1443 0.1822 0.0020 0.0256 -0.0103 195 LEU A CA 1566 C CA B LEU A 195 ? 0.1073 0.0810 0.1558 0.0103 0.0208 -0.0042 195 LEU A CA 1567 C C A LEU A 195 ? 0.1410 0.1477 0.1099 -0.0203 0.0049 0.0101 195 LEU A C 1568 C C B LEU A 195 ? 0.1502 0.1664 0.1298 -0.0069 0.0218 0.0110 195 LEU A C 1569 O O A LEU A 195 ? 0.1256 0.0668 0.0806 0.0069 0.0206 0.0203 195 LEU A O 1570 O O B LEU A 195 ? 0.2028 0.1931 0.1774 -0.0111 0.0256 -0.0278 195 LEU A O 1571 C CB A LEU A 195 ? 0.2104 0.1664 0.1920 0.0001 0.0206 0.0203 195 LEU A CB 1572 C CB B LEU A 195 ? 0.1650 0.1217 0.1764 -0.0003 0.0306 0.0232 195 LEU A CB 1573 C CG A LEU A 195 ? 0.2138 0.1821 0.2035 -0.0353 0.0079 0.0037 195 LEU A CG 1574 C CG B LEU A 195 ? 0.1622 0.1517 0.1324 -0.0192 0.0092 0.0367 195 LEU A CG 1575 C CD1 A LEU A 195 ? 0.1694 0.1913 0.2316 -0.0091 0.0302 0.0217 195 LEU A CD1 1576 C CD1 B LEU A 195 ? 0.1415 0.1441 0.1088 -0.0192 -0.0183 0.0266 195 LEU A CD1 1577 C CD2 A LEU A 195 ? 0.2560 0.1936 0.2588 0.0119 0.0045 0.0209 195 LEU A CD2 1578 C CD2 B LEU A 195 ? 0.1187 0.1472 0.1919 0.0120 -0.0030 -0.0351 195 LEU A CD2 1579 N N . ILE A 196 ? 0.1232 0.1228 0.1333 0.0166 0.0483 -0.0049 196 ILE A N 1580 C CA . ILE A 196 ? 0.1230 0.1201 0.1064 -0.0012 0.0236 0.0167 196 ILE A CA 1581 C C . ILE A 196 ? 0.1490 0.1232 0.1131 -0.0033 0.0034 -0.0052 196 ILE A C 1582 O O . ILE A 196 ? 0.1371 0.0925 0.1499 0.0048 0.0006 -0.0265 196 ILE A O 1583 C CB . ILE A 196 ? 0.1419 0.1332 0.1402 0.0015 0.0393 0.0399 196 ILE A CB 1584 C CG1 . ILE A 196 ? 0.1557 0.1069 0.1658 0.0185 -0.0149 0.0291 196 ILE A CG1 1585 C CG2 . ILE A 196 ? 0.0767 0.1616 0.1611 0.0037 0.0319 0.0139 196 ILE A CG2 1586 C CD1 . ILE A 196 ? 0.1873 0.2077 0.1528 -0.0188 -0.0032 0.0460 196 ILE A CD1 1587 N N . ILE A 197 ? 0.0986 0.1083 0.1103 0.0110 0.0141 -0.0041 197 ILE A N 1588 C CA . ILE A 197 ? 0.1155 0.1042 0.0832 0.0073 0.0083 0.0211 197 ILE A CA 1589 C C . ILE A 197 ? 0.1286 0.1427 0.1009 -0.0062 0.0235 0.0097 197 ILE A C 1590 O O . ILE A 197 ? 0.1480 0.1141 0.1915 0.0094 0.0251 0.0340 197 ILE A O 1591 C CB . ILE A 197 ? 0.1547 0.1423 0.0755 -0.0067 0.0106 0.0157 197 ILE A CB 1592 C CG1 . ILE A 197 ? 0.2051 0.2045 0.0750 -0.0235 -0.0115 0.0120 197 ILE A CG1 1593 C CG2 . ILE A 197 ? 0.1181 0.1568 0.1619 0.0046 0.0231 0.0077 197 ILE A CG2 1594 C CD1 . ILE A 197 ? 0.2567 0.3049 0.1223 0.0163 -0.0320 0.0153 197 ILE A CD1 1595 N N . ILE A 198 ? 0.1359 0.1252 0.1407 0.0188 0.0016 0.0286 198 ILE A N 1596 C CA . ILE A 198 ? 0.1545 0.1347 0.1118 0.0193 0.0197 -0.0015 198 ILE A CA 1597 C C . ILE A 198 ? 0.1496 0.1154 0.1393 0.0248 0.0031 -0.0013 198 ILE A C 1598 O O . ILE A 198 ? 0.1683 0.1426 0.1600 0.0113 0.0137 0.0484 198 ILE A O 1599 C CB . ILE A 198 ? 0.1770 0.1177 0.1764 0.0213 -0.0084 -0.0207 198 ILE A CB 1600 C CG1 . ILE A 198 ? 0.2324 0.1714 0.1365 -0.0014 0.0106 0.0384 198 ILE A CG1 1601 C CG2 . ILE A 198 ? 0.1267 0.1586 0.2104 0.0247 -0.0153 0.0348 198 ILE A CG2 1602 C CD1 . ILE A 198 ? 0.2058 0.1412 0.1120 -0.0119 0.0010 0.0249 198 ILE A CD1 1603 N N . LEU A 199 ? 0.1563 0.1534 0.1239 0.0114 -0.0198 0.0224 199 LEU A N 1604 C CA . LEU A 199 ? 0.1480 0.1230 0.1236 0.0083 -0.0333 0.0046 199 LEU A CA 1605 C C . LEU A 199 ? 0.1609 0.1167 0.1550 0.0261 -0.0099 0.0172 199 LEU A C 1606 O O . LEU A 199 ? 0.1650 0.1742 0.1138 0.0039 -0.0084 0.0224 199 LEU A O 1607 C CB . LEU A 199 ? 0.1686 0.1619 0.1268 0.0343 0.0258 0.0011 199 LEU A CB 1608 C CG . LEU A 199 ? 0.3651 0.1526 0.2062 -0.0130 -0.0036 -0.0310 199 LEU A CG 1609 C CD1 . LEU A 199 ? 0.3109 0.2308 0.2062 -0.0026 0.0222 0.0876 199 LEU A CD1 1610 C CD2 . LEU A 199 ? 0.3635 0.2198 0.2496 0.0386 -0.0018 -0.0281 199 LEU A CD2 1611 N N . LYS A 200 ? 0.1796 0.1688 0.1488 0.0322 -0.0409 0.0139 200 LYS A N 1612 C CA . LYS A 200 ? 0.1654 0.1117 0.1560 0.0089 -0.0251 0.0248 200 LYS A CA 1613 C C . LYS A 200 ? 0.1831 0.1618 0.1650 0.0137 -0.0136 0.0298 200 LYS A C 1614 O O . LYS A 200 ? 0.1625 0.2027 0.1326 0.0124 0.0041 0.0262 200 LYS A O 1615 C CB . LYS A 200 ? 0.1945 0.1858 0.2002 0.0419 -0.0466 0.0713 200 LYS A CB 1616 C CG . LYS A 200 ? 0.2517 0.3603 0.2396 0.0146 -0.0236 0.0290 200 LYS A CG 1617 C CD . LYS A 200 ? 0.3366 0.4196 0.2871 0.0298 -0.0513 0.0762 200 LYS A CD 1618 C CE . LYS A 200 ? 0.5573 0.5367 0.5077 -0.0069 -0.0178 -0.0305 200 LYS A CE 1619 N NZ . LYS A 200 ? 0.6478 0.6495 0.6396 0.0011 0.0000 -0.0072 200 LYS A NZ 1620 N N . CYS A 201 ? 0.1353 0.1523 0.1637 0.0143 -0.0285 0.0158 201 CYS A N 1621 C CA . CYS A 201 ? 0.1455 0.1612 0.1318 -0.0162 -0.0164 0.0285 201 CYS A CA 1622 C C . CYS A 201 ? 0.1471 0.1254 0.1084 0.0169 -0.0001 0.0163 201 CYS A C 1623 O O . CYS A 201 ? 0.1856 0.2160 0.1744 0.0519 -0.0447 -0.0056 201 CYS A O 1624 C CB . CYS A 201 ? 0.1307 0.2371 0.1391 -0.0254 -0.0174 0.0182 201 CYS A CB 1625 S SG . CYS A 201 ? 0.1519 0.1851 0.1502 0.0325 -0.0078 0.0054 201 CYS A SG 1626 N N . GLN A 202 ? 0.1586 0.1789 0.1316 0.0354 -0.0034 -0.0144 202 GLN A N 1627 C CA . GLN A 202 ? 0.1858 0.1459 0.1245 -0.0027 0.0134 -0.0099 202 GLN A CA 1628 C C . GLN A 202 ? 0.1163 0.1444 0.0745 0.0093 0.0006 0.0124 202 GLN A C 1629 O O . GLN A 202 ? 0.1853 0.1686 0.1442 -0.0034 -0.0219 -0.0120 202 GLN A O 1630 C CB . GLN A 202 ? 0.2279 0.1616 0.1365 -0.0178 0.0427 0.0092 202 GLN A CB 1631 C CG . GLN A 202 ? 0.2880 0.1758 0.2255 -0.0445 -0.0184 0.0253 202 GLN A CG 1632 C CD . GLN A 202 ? 0.3622 0.3853 0.3301 -0.0351 0.0419 -0.0005 202 GLN A CD 1633 O OE1 . GLN A 202 ? 0.4297 0.3571 0.2927 -0.0257 0.0169 0.0164 202 GLN A OE1 1634 N NE2 . GLN A 202 ? 0.3472 0.2843 0.1790 0.0118 0.0404 0.0224 202 GLN A NE2 1635 N N . GLY A 203 ? 0.1283 0.1641 0.0839 0.0276 -0.0116 0.0360 203 GLY A N 1636 C CA . GLY A 203 ? 0.1156 0.1704 0.1453 0.0339 0.0195 0.0425 203 GLY A CA 1637 C C . GLY A 203 ? 0.1247 0.1174 0.0941 0.0059 -0.0119 -0.0129 203 GLY A C 1638 O O . GLY A 203 ? 0.1371 0.1449 0.1686 0.0011 0.0033 0.0305 203 GLY A O 1639 N N . LEU A 204 ? 0.0959 0.1453 0.1184 0.0189 -0.0239 -0.0050 204 LEU A N 1640 C CA . LEU A 204 ? 0.0668 0.1477 0.1470 0.0209 -0.0142 0.0213 204 LEU A CA 1641 C C . LEU A 204 ? 0.1080 0.1335 0.1126 -0.0118 0.0127 -0.0051 204 LEU A C 1642 O O . LEU A 204 ? 0.1327 0.1523 0.1062 0.0305 -0.0085 -0.0032 204 LEU A O 1643 C CB . LEU A 204 ? 0.1208 0.1674 0.1422 -0.0061 -0.0035 0.0390 204 LEU A CB 1644 C CG . LEU A 204 ? 0.1606 0.1925 0.1990 0.0158 -0.0175 0.0170 204 LEU A CG 1645 C CD1 . LEU A 204 ? 0.2587 0.2003 0.2373 0.0029 0.0301 0.0662 204 LEU A CD1 1646 C CD2 . LEU A 204 ? 0.3228 0.2031 0.1804 -0.0073 -0.0065 0.0105 204 LEU A CD2 1647 N N . PRO A 205 ? 0.0946 0.1300 0.0971 0.0161 0.0010 0.0119 205 PRO A N 1648 C CA . PRO A 205 ? 0.0966 0.1333 0.1525 0.0186 -0.0178 -0.0119 205 PRO A CA 1649 C C . PRO A 205 ? 0.1230 0.1220 0.0846 -0.0137 0.0161 0.0163 205 PRO A C 1650 O O . PRO A 205 ? 0.1443 0.1218 0.1344 0.0055 0.0067 0.0137 205 PRO A O 1651 C CB . PRO A 205 ? 0.1275 0.1366 0.1342 0.0282 -0.0012 -0.0263 205 PRO A CB 1652 C CG . PRO A 205 ? 0.1245 0.1234 0.1241 -0.0022 0.0200 0.0140 205 PRO A CG 1653 C CD . PRO A 205 ? 0.1662 0.1212 0.1102 0.0300 0.0242 -0.0180 205 PRO A CD 1654 N N . SER A 206 ? 0.1178 0.1076 0.1558 0.0009 0.0040 -0.0020 206 SER A N 1655 C CA . SER A 206 ? 0.1633 0.1109 0.1002 -0.0119 0.0410 -0.0222 206 SER A CA 1656 C C . SER A 206 ? 0.1052 0.1167 0.1146 0.0197 0.0008 -0.0012 206 SER A C 1657 O O . SER A 206 ? 0.1158 0.1332 0.1286 -0.0159 0.0216 -0.0147 206 SER A O 1658 C CB . SER A 206 ? 0.1476 0.1607 0.1457 -0.0088 0.0315 0.0453 206 SER A CB 1659 O OG . SER A 206 ? 0.1548 0.1647 0.1566 0.0163 0.0048 0.0217 206 SER A OG 1660 N N . GLN A 207 ? 0.0919 0.1081 0.1176 0.0261 0.0087 0.0139 207 GLN A N 1661 C CA . GLN A 207 ? 0.1170 0.1147 0.1106 0.0462 0.0042 0.0336 207 GLN A CA 1662 C C . GLN A 207 ? 0.1195 0.1325 0.1012 0.0120 0.0083 0.0131 207 GLN A C 1663 O O . GLN A 207 ? 0.0983 0.1581 0.1153 0.0141 0.0122 0.0046 207 GLN A O 1664 C CB . GLN A 207 ? 0.1210 0.0992 0.1398 0.0375 0.0080 0.0222 207 GLN A CB 1665 C CG . GLN A 207 ? 0.1475 0.1275 0.1216 0.0569 0.0029 0.0713 207 GLN A CG 1666 C CD . GLN A 207 ? 0.0986 0.1598 0.0981 0.0166 0.0049 0.0016 207 GLN A CD 1667 O OE1 . GLN A 207 ? 0.1495 0.1357 0.1294 -0.0001 -0.0293 0.0217 207 GLN A OE1 1668 N NE2 . GLN A 207 ? 0.1686 0.1381 0.1334 0.0292 0.0166 0.0169 207 GLN A NE2 1669 N N . ARG A 208 ? 0.1344 0.1173 0.1068 -0.0113 0.0074 0.0073 208 ARG A N 1670 C CA . ARG A 208 ? 0.1133 0.1224 0.0851 -0.0006 -0.0238 -0.0011 208 ARG A CA 1671 C C . ARG A 208 ? 0.1116 0.1130 0.1092 0.0021 -0.0054 -0.0062 208 ARG A C 1672 O O . ARG A 208 ? 0.1086 0.1191 0.1085 0.0026 -0.0049 -0.0081 208 ARG A O 1673 C CB . ARG A 208 ? 0.1435 0.0975 0.1455 -0.0346 -0.0121 0.0191 208 ARG A CB 1674 C CG . ARG A 208 ? 0.2036 0.1338 0.1715 -0.0449 -0.0281 0.0365 208 ARG A CG 1675 C CD . ARG A 208 ? 0.1946 0.1311 0.2145 -0.0364 -0.0185 0.0428 208 ARG A CD 1676 N NE . ARG A 208 ? 0.1069 0.1392 0.1901 -0.0242 -0.0429 0.0483 208 ARG A NE 1677 C CZ . ARG A 208 ? 0.1439 0.1407 0.1740 -0.0223 -0.0182 -0.0022 208 ARG A CZ 1678 N NH1 . ARG A 208 ? 0.1000 0.2023 0.1547 -0.0218 0.0049 0.0182 208 ARG A NH1 1679 N NH2 . ARG A 208 ? 0.1540 0.1593 0.2147 -0.0100 -0.0210 0.0541 208 ARG A NH2 1680 N N . TRP A 209 ? 0.1111 0.1110 0.0620 -0.0026 -0.0083 0.0110 209 TRP A N 1681 C CA . TRP A 209 ? 0.1020 0.0828 0.0869 0.0064 -0.0027 0.0081 209 TRP A CA 1682 C C . TRP A 209 ? 0.0818 0.0865 0.0777 -0.0201 -0.0124 0.0142 209 TRP A C 1683 O O . TRP A 209 ? 0.0729 0.1204 0.1330 -0.0297 0.0059 0.0225 209 TRP A O 1684 C CB . TRP A 209 ? 0.1444 0.0734 0.1655 -0.0265 0.0250 0.0164 209 TRP A CB 1685 C CG . TRP A 209 ? 0.0960 0.0654 0.1143 0.0205 -0.0004 0.0071 209 TRP A CG 1686 C CD1 . TRP A 209 ? 0.1158 0.0700 0.1588 0.0033 -0.0004 0.0320 209 TRP A CD1 1687 C CD2 . TRP A 209 ? 0.1169 0.1401 0.1226 -0.0111 0.0078 0.0003 209 TRP A CD2 1688 N NE1 . TRP A 209 ? 0.1193 0.1064 0.1578 -0.0140 0.0119 0.0117 209 TRP A NE1 1689 C CE2 . TRP A 209 ? 0.0833 0.1397 0.1444 -0.0138 -0.0033 -0.0007 209 TRP A CE2 1690 C CE3 . TRP A 209 ? 0.0923 0.1213 0.1317 -0.0232 0.0154 -0.0098 209 TRP A CE3 1691 C CZ2 . TRP A 209 ? 0.0997 0.1104 0.0940 -0.0213 -0.0078 0.0071 209 TRP A CZ2 1692 C CZ3 . TRP A 209 ? 0.1120 0.1026 0.1124 -0.0129 0.0196 -0.0192 209 TRP A CZ3 1693 C CH2 . TRP A 209 ? 0.1049 0.1308 0.1234 -0.0052 -0.0189 0.0165 209 TRP A CH2 1694 N N . PHE A 210 ? 0.1127 0.1114 0.1092 0.0200 -0.0087 0.0203 210 PHE A N 1695 C CA . PHE A 210 ? 0.1856 0.1395 0.1395 0.0066 -0.0415 0.0301 210 PHE A CA 1696 C C . PHE A 210 ? 0.1171 0.1300 0.1470 -0.0016 -0.0011 0.0193 210 PHE A C 1697 O O . PHE A 210 ? 0.0930 0.1555 0.1717 -0.0166 -0.0133 0.0222 210 PHE A O 1698 C CB . PHE A 210 ? 0.1400 0.1471 0.1956 -0.0158 -0.0029 -0.0067 210 PHE A CB 1699 C CG . PHE A 210 ? 0.1521 0.2211 0.2451 -0.0366 -0.0177 0.0089 210 PHE A CG 1700 C CD1 . PHE A 210 ? 0.2731 0.1905 0.1997 -0.0114 -0.0276 0.0359 210 PHE A CD1 1701 C CD2 . PHE A 210 ? 0.2633 0.2645 0.3132 -0.0402 -0.0559 0.0229 210 PHE A CD2 1702 C CE1 . PHE A 210 ? 0.3091 0.2134 0.2653 -0.0463 -0.0434 0.0150 210 PHE A CE1 1703 C CE2 . PHE A 210 ? 0.3461 0.2670 0.2968 -0.0190 -0.0569 0.0279 210 PHE A CE2 1704 C CZ . PHE A 210 ? 0.3635 0.2481 0.3219 0.0031 -0.0367 0.0367 210 PHE A CZ 1705 N N . PHE A 211 ? 0.1575 0.1182 0.1296 0.0031 -0.0073 -0.0038 211 PHE A N 1706 C CA . PHE A 211 ? 0.1753 0.1139 0.1051 0.0144 0.0125 -0.0113 211 PHE A CA 1707 C C . PHE A 211 ? 0.1407 0.1376 0.2154 -0.0068 -0.0080 0.0134 211 PHE A C 1708 O O . PHE A 211 ? 0.2594 0.2058 0.2037 -0.0380 0.0245 0.0166 211 PHE A O 1709 C CB . PHE A 211 ? 0.1756 0.1459 0.1774 0.0048 0.0396 -0.0055 211 PHE A CB 1710 C CG . PHE A 211 ? 0.1594 0.1435 0.1519 0.0048 0.0060 -0.0093 211 PHE A CG 1711 C CD1 . PHE A 211 ? 0.2174 0.1045 0.2009 0.0250 0.0068 0.0211 211 PHE A CD1 1712 C CD2 . PHE A 211 ? 0.1927 0.1440 0.1790 -0.0155 0.0651 -0.0088 211 PHE A CD2 1713 C CE1 . PHE A 211 ? 0.2092 0.1405 0.2466 0.0116 0.0290 0.0302 211 PHE A CE1 1714 C CE2 . PHE A 211 ? 0.1836 0.1695 0.2039 0.0368 0.0205 0.0292 211 PHE A CE2 1715 C CZ . PHE A 211 ? 0.1797 0.1270 0.1899 0.0375 0.0422 -0.0124 211 PHE A CZ 1716 N N . ASN A 212 ? 0.1769 0.1252 0.1858 0.0071 -0.0019 0.0059 212 ASN A N 1717 C CA . ASN A 212 ? 0.2414 0.1612 0.1449 0.0277 0.0010 -0.0059 212 ASN A CA 1718 C C . ASN A 212 ? 0.3241 0.2167 0.1671 0.0079 0.0006 0.0056 212 ASN A C 1719 O O . ASN A 212 ? 0.3606 0.2334 0.1890 0.0167 0.0151 0.0078 212 ASN A O 1720 C CB . ASN A 212 ? 0.1701 0.1326 0.2379 0.0069 0.0052 0.0213 212 ASN A CB 1721 C CG . ASN A 212 ? 0.1860 0.2539 0.2441 0.0033 -0.0091 -0.0007 212 ASN A CG 1722 O OD1 . ASN A 212 ? 0.3204 0.1744 0.2437 -0.0023 -0.0279 0.0384 212 ASN A OD1 1723 N ND2 . ASN A 212 ? 0.2514 0.1802 0.2581 0.0301 0.0032 -0.0130 212 ASN A ND2 1724 N N . SER A 213 ? 0.3708 0.2734 0.2639 -0.0033 -0.0324 0.0505 213 SER A N 1725 C CA . SER A 213 ? 0.3621 0.2110 0.2648 -0.0214 -0.0172 0.0266 213 SER A CA 1726 C C . SER A 213 ? 0.3526 0.3198 0.3097 0.0000 0.0010 0.0087 213 SER A C 1727 O O . SER A 213 ? 0.4522 0.4141 0.3421 -0.0151 -0.0327 -0.0057 213 SER A O 1728 C CB . SER A 213 ? 0.3882 0.2177 0.2478 0.0143 -0.0310 0.0457 213 SER A CB 1729 O OG . SER A 213 ? 0.4152 0.3347 0.4241 0.0508 -0.0024 0.0385 213 SER A OG 1730 N N . ASP A 214 ? 0.3053 0.2363 0.3292 0.0090 0.0055 0.0388 214 ASP A N 1731 C CA . ASP A 214 ? 0.2900 0.2153 0.2233 0.0166 -0.0362 0.0151 214 ASP A CA 1732 C C . ASP A 214 ? 0.2603 0.2159 0.3066 0.0187 -0.0054 0.0268 214 ASP A C 1733 O O . ASP A 214 ? 0.3163 0.2939 0.4183 0.0052 -0.1094 0.0182 214 ASP A O 1734 C CB . ASP A 214 ? 0.3268 0.2553 0.3584 0.0378 0.0056 -0.0137 214 ASP A CB 1735 C CG . ASP A 214 ? 0.4474 0.3184 0.4087 0.0294 0.0061 0.0143 214 ASP A CG 1736 O OD1 . ASP A 214 ? 0.3395 0.3378 0.3711 0.0286 -0.0358 0.0160 214 ASP A OD1 1737 O OD2 . ASP A 214 ? 0.4796 0.3506 0.4204 0.0045 0.0106 0.0174 214 ASP A OD2 1738 N N . GLY A 215 ? 0.2521 0.1646 0.2123 0.0157 -0.0460 0.0190 215 GLY A N 1739 C CA . GLY A 215 ? 0.2388 0.1362 0.1695 -0.0172 -0.0027 0.0379 215 GLY A CA 1740 C C . GLY A 215 ? 0.1840 0.1496 0.1565 -0.0069 -0.0130 0.0141 215 GLY A C 1741 O O . GLY A 215 ? 0.1906 0.1299 0.1759 -0.0025 0.0092 -0.0297 215 GLY A O 1742 N N . ALA A 216 ? 0.1623 0.1336 0.1313 0.0010 0.0073 0.0048 216 ALA A N 1743 C CA . ALA A 216 ? 0.1150 0.1493 0.1227 0.0519 -0.0180 -0.0176 216 ALA A CA 1744 C C . ALA A 216 ? 0.1089 0.1379 0.1367 0.0209 0.0110 -0.0015 216 ALA A C 1745 O O . ALA A 216 ? 0.1360 0.1048 0.1939 -0.0083 -0.0163 0.0028 216 ALA A O 1746 C CB . ALA A 216 ? 0.1360 0.1390 0.1781 0.0498 0.0008 -0.0335 216 ALA A CB 1747 N N . ILE A 217 ? 0.1396 0.0874 0.0928 0.0284 -0.0170 0.0153 217 ILE A N 1748 C CA . ILE A 217 ? 0.1174 0.1089 0.1123 0.0338 -0.0195 -0.0198 217 ILE A CA 1749 C C . ILE A 217 ? 0.1087 0.1479 0.0942 -0.0028 -0.0125 0.0162 217 ILE A C 1750 O O . ILE A 217 ? 0.1075 0.1101 0.1292 -0.0220 0.0038 -0.0221 217 ILE A O 1751 C CB . ILE A 217 ? 0.1012 0.1048 0.1063 0.0221 -0.0222 -0.0337 217 ILE A CB 1752 C CG1 . ILE A 217 ? 0.1126 0.0910 0.1179 0.0044 0.0252 -0.0067 217 ILE A CG1 1753 C CG2 . ILE A 217 ? 0.0721 0.1474 0.1438 -0.0016 -0.0051 -0.0118 217 ILE A CG2 1754 C CD1 . ILE A 217 ? 0.1820 0.1163 0.1630 0.0440 0.0248 -0.0303 217 ILE A CD1 1755 N N . VAL A 218 ? 0.1162 0.0956 0.1188 -0.0072 -0.0043 -0.0267 218 VAL A N 1756 C CA . VAL A 218 ? 0.1114 0.0655 0.0867 0.0030 -0.0099 -0.0110 218 VAL A CA 1757 C C . VAL A 218 ? 0.1414 0.1061 0.1369 0.0129 0.0000 0.0074 218 VAL A C 1758 O O . VAL A 218 ? 0.1231 0.1147 0.1170 0.0127 -0.0029 0.0102 218 VAL A O 1759 C CB . VAL A 218 ? 0.1367 0.0816 0.1079 0.0217 -0.0274 -0.0242 218 VAL A CB 1760 C CG1 . VAL A 218 ? 0.1800 0.1817 0.1063 0.0156 -0.0033 -0.0477 218 VAL A CG1 1761 C CG2 . VAL A 218 ? 0.1232 0.1180 0.1499 0.0004 -0.0322 0.0251 218 VAL A CG2 1762 N N . ASN A 219 ? 0.1527 0.0957 0.0870 0.0048 -0.0066 -0.0190 219 ASN A N 1763 C CA . ASN A 219 ? 0.1249 0.0879 0.0925 0.0151 0.0009 -0.0024 219 ASN A CA 1764 C C . ASN A 219 ? 0.0918 0.1296 0.1607 0.0010 0.0057 -0.0220 219 ASN A C 1765 O O . ASN A 219 ? 0.1328 0.1498 0.1121 0.0127 -0.0018 -0.0360 219 ASN A O 1766 C CB . ASN A 219 ? 0.0907 0.1240 0.1023 -0.0069 -0.0046 0.0154 219 ASN A CB 1767 C CG . ASN A 219 ? 0.0983 0.1156 0.1320 -0.0037 -0.0086 -0.0069 219 ASN A CG 1768 O OD1 . ASN A 219 ? 0.1185 0.1665 0.1252 0.0064 0.0255 -0.0213 219 ASN A OD1 1769 N ND2 . ASN A 219 ? 0.0877 0.1276 0.1590 0.0205 -0.0196 0.0242 219 ASN A ND2 1770 N N . PRO A 220 ? 0.0791 0.0892 0.1483 0.0076 0.0095 -0.0089 220 PRO A N 1771 C CA . PRO A 220 ? 0.0982 0.1016 0.1492 0.0000 0.0274 -0.0164 220 PRO A CA 1772 C C . PRO A 220 ? 0.1284 0.1439 0.1350 0.0183 0.0041 0.0043 220 PRO A C 1773 O O . PRO A 220 ? 0.1715 0.1434 0.1668 0.0179 -0.0283 -0.0178 220 PRO A O 1774 C CB . PRO A 220 ? 0.1020 0.1462 0.1413 -0.0331 0.0074 0.0225 220 PRO A CB 1775 C CG . PRO A 220 ? 0.1909 0.1274 0.1762 -0.0355 0.0273 0.0083 220 PRO A CG 1776 C CD . PRO A 220 ? 0.0824 0.1060 0.1651 -0.0038 0.0512 0.0024 220 PRO A CD 1777 N N . LYS A 221 ? 0.1056 0.1168 0.1147 0.0048 -0.0075 -0.0133 221 LYS A N 1778 C CA . LYS A 221 ? 0.1493 0.1576 0.1322 -0.0301 -0.0151 -0.0116 221 LYS A CA 1779 C C . LYS A 221 ? 0.1426 0.1611 0.1450 0.0072 -0.0187 -0.0336 221 LYS A C 1780 O O . LYS A 221 ? 0.1744 0.2038 0.1930 0.0056 -0.0282 -0.0539 221 LYS A O 1781 C CB . LYS A 221 ? 0.1776 0.1940 0.1044 -0.0211 -0.0470 0.0339 221 LYS A CB 1782 C CG . LYS A 221 ? 0.2490 0.2467 0.1348 0.0118 -0.0022 -0.0502 221 LYS A CG 1783 C CD . LYS A 221 ? 0.3469 0.2851 0.3097 -0.0092 0.0148 -0.0101 221 LYS A CD 1784 C CE . LYS A 221 ? 0.4173 0.3991 0.2978 -0.0026 0.0074 -0.0053 221 LYS A CE 1785 N NZ . LYS A 221 ? 0.3140 0.4331 0.2860 -0.0113 0.0358 0.0664 221 LYS A NZ 1786 N N . SER A 222 ? 0.0701 0.1325 0.1288 -0.0254 0.0025 -0.0192 222 SER A N 1787 C CA . SER A 222 ? 0.0761 0.1558 0.1408 0.0056 -0.0022 -0.0002 222 SER A CA 1788 C C . SER A 222 ? 0.1472 0.1272 0.1222 0.0019 0.0148 -0.0025 222 SER A C 1789 O O . SER A 222 ? 0.1185 0.2194 0.1781 0.0354 0.0126 -0.0492 222 SER A O 1790 C CB . SER A 222 ? 0.1412 0.1574 0.1187 -0.0107 0.0244 -0.0213 222 SER A CB 1791 O OG . SER A 222 ? 0.1193 0.1522 0.1127 -0.0062 -0.0004 -0.0022 222 SER A OG 1792 N N . ARG A 223 ? 0.0967 0.1190 0.1415 -0.0137 0.0138 -0.0010 223 ARG A N 1793 C CA . ARG A 223 ? 0.0945 0.0956 0.1357 0.0206 -0.0240 -0.0177 223 ARG A CA 1794 C C . ARG A 223 ? 0.1011 0.0959 0.1297 0.0009 -0.0004 -0.0071 223 ARG A C 1795 O O . ARG A 223 ? 0.1281 0.1647 0.1488 0.0067 0.0001 -0.0011 223 ARG A O 1796 C CB . ARG A 223 ? 0.1251 0.1025 0.1760 0.0259 -0.0005 -0.0333 223 ARG A CB 1797 C CG . ARG A 223 ? 0.1474 0.1008 0.2382 0.0275 0.0116 -0.0446 223 ARG A CG 1798 C CD . ARG A 223 ? 0.1673 0.1432 0.1822 0.0437 0.0070 -0.0397 223 ARG A CD 1799 N NE . ARG A 223 ? 0.1815 0.1521 0.1393 -0.0056 -0.0034 -0.0088 223 ARG A NE 1800 C CZ . ARG A 223 ? 0.2743 0.1573 0.1572 0.0023 -0.0227 0.0225 223 ARG A CZ 1801 N NH1 . ARG A 223 ? 0.3028 0.1779 0.2467 0.0028 0.0238 -0.0181 223 ARG A NH1 1802 N NH2 . ARG A 223 ? 0.3252 0.1411 0.2180 0.0106 0.0031 0.0284 223 ARG A NH2 1803 N N . LEU A 224 ? 0.0900 0.1095 0.1237 -0.0039 -0.0068 -0.0279 224 LEU A N 1804 C CA . LEU A 224 ? 0.0877 0.1248 0.1533 -0.0130 0.0043 -0.0231 224 LEU A CA 1805 C C . LEU A 224 ? 0.1476 0.1307 0.1383 0.0034 0.0147 -0.0210 224 LEU A C 1806 O O . LEU A 224 ? 0.1368 0.1010 0.1607 -0.0006 -0.0137 -0.0304 224 LEU A O 1807 C CB . LEU A 224 ? 0.1250 0.1148 0.1429 -0.0125 0.0449 -0.0221 224 LEU A CB 1808 C CG . LEU A 224 ? 0.1351 0.1393 0.1409 0.0289 0.0059 -0.0169 224 LEU A CG 1809 C CD1 . LEU A 224 ? 0.1943 0.1699 0.1794 -0.0263 0.0352 -0.0157 224 LEU A CD1 1810 C CD2 . LEU A 224 ? 0.1487 0.1765 0.1755 0.0514 0.0156 -0.0413 224 LEU A CD2 1811 N N . VAL A 225 ? 0.1294 0.1274 0.1169 0.0220 -0.0082 -0.0421 225 VAL A N 1812 C CA . VAL A 225 ? 0.1581 0.0905 0.0876 0.0258 -0.0181 -0.0251 225 VAL A CA 1813 C C . VAL A 225 ? 0.0838 0.0995 0.1262 0.0183 -0.0094 -0.0174 225 VAL A C 1814 O O . VAL A 225 ? 0.1259 0.1104 0.1388 0.0013 0.0191 -0.0067 225 VAL A O 1815 C CB . VAL A 225 ? 0.0884 0.1130 0.1426 0.0036 -0.0013 -0.0013 225 VAL A CB 1816 C CG1 . VAL A 225 ? 0.1313 0.0903 0.2042 -0.0216 -0.0113 -0.0141 225 VAL A CG1 1817 C CG2 . VAL A 225 ? 0.0755 0.1743 0.1790 -0.0251 -0.0102 0.0009 225 VAL A CG2 1818 N N A MET A 226 ? 0.1071 0.0910 0.1443 0.0124 0.0213 -0.0373 226 MET A N 1819 N N B MET A 226 ? 0.1000 0.0901 0.1357 0.0165 0.0145 -0.0305 226 MET A N 1820 C CA A MET A 226 ? 0.1048 0.1046 0.1171 -0.0113 0.0120 -0.0283 226 MET A CA 1821 C CA B MET A 226 ? 0.0543 0.0933 0.1098 0.0021 -0.0009 -0.0305 226 MET A CA 1822 C C A MET A 226 ? 0.1102 0.1371 0.1383 -0.0019 0.0070 0.0039 226 MET A C 1823 C C B MET A 226 ? 0.0799 0.1278 0.1286 0.0015 -0.0015 0.0054 226 MET A C 1824 O O A MET A 226 ? 0.1376 0.1247 0.1406 0.0011 0.0188 0.0052 226 MET A O 1825 O O B MET A 226 ? 0.1248 0.0914 0.1341 -0.0195 0.0045 0.0099 226 MET A O 1826 C CB A MET A 226 ? 0.0595 0.1490 0.0748 0.0212 0.0337 0.0301 226 MET A CB 1827 C CB B MET A 226 ? 0.0859 0.1004 0.1403 0.0269 0.0140 -0.0239 226 MET A CB 1828 C CG A MET A 226 ? 0.1297 0.1430 0.1454 -0.0302 -0.0003 -0.0094 226 MET A CG 1829 C CG B MET A 226 ? 0.0957 0.0946 0.1313 0.0151 0.0125 -0.0014 226 MET A CG 1830 S SD A MET A 226 ? 0.2399 0.2625 0.2396 0.0153 0.0003 -0.0386 226 MET A SD 1831 S SD B MET A 226 ? 0.1064 0.0944 0.0918 0.0133 -0.0052 0.0023 226 MET A SD 1832 C CE A MET A 226 ? 0.0474 0.0656 0.0992 0.0163 0.0174 -0.0279 226 MET A CE 1833 C CE B MET A 226 ? 0.0723 0.1379 0.1027 -0.0003 -0.0223 0.0275 226 MET A CE 1834 N N . ASP A 227 ? 0.0865 0.1342 0.1257 -0.0018 0.0103 -0.0038 227 ASP A N 1835 C CA . ASP A 227 ? 0.1043 0.0864 0.1561 -0.0107 -0.0122 -0.0005 227 ASP A CA 1836 C C . ASP A 227 ? 0.1039 0.1211 0.1485 0.0116 0.0002 -0.0014 227 ASP A C 1837 O O . ASP A 227 ? 0.1312 0.1380 0.1598 0.0073 0.0148 -0.0015 227 ASP A O 1838 C CB . ASP A 227 ? 0.0953 0.1595 0.1949 -0.0168 0.0472 0.0092 227 ASP A CB 1839 C CG . ASP A 227 ? 0.1199 0.1422 0.1671 0.0112 0.0061 0.0069 227 ASP A CG 1840 O OD1 . ASP A 227 ? 0.1187 0.1388 0.2249 -0.0230 0.0210 -0.0021 227 ASP A OD1 1841 O OD2 . ASP A 227 ? 0.1058 0.1485 0.1768 0.0032 -0.0180 0.0072 227 ASP A OD2 1842 N N . VAL A 228 ? 0.1554 0.1260 0.1669 0.0030 -0.0219 -0.0253 228 VAL A N 1843 C CA . VAL A 228 ? 0.1309 0.1266 0.1444 0.0175 0.0236 -0.0309 228 VAL A CA 1844 C C . VAL A 228 ? 0.1267 0.1439 0.1230 0.0124 0.0057 -0.0244 228 VAL A C 1845 O O . VAL A 228 ? 0.1297 0.1615 0.2147 -0.0189 -0.0338 -0.0096 228 VAL A O 1846 C CB . VAL A 228 ? 0.1541 0.1224 0.1084 -0.0249 0.0001 -0.0187 228 VAL A CB 1847 C CG1 . VAL A 228 ? 0.1462 0.1422 0.2419 -0.0583 0.0240 0.0087 228 VAL A CG1 1848 C CG2 . VAL A 228 ? 0.1332 0.1596 0.1575 0.0259 0.0327 -0.0190 228 VAL A CG2 1849 N N . ARG A 229 ? 0.1625 0.1409 0.1452 0.0019 0.0120 -0.0131 229 ARG A N 1850 C CA . ARG A 229 ? 0.1454 0.1771 0.1509 -0.0245 0.0063 -0.0105 229 ARG A CA 1851 C C . ARG A 229 ? 0.1369 0.1518 0.1922 -0.0054 0.0080 -0.0023 229 ARG A C 1852 O O . ARG A 229 ? 0.1789 0.1389 0.2348 -0.0192 0.0253 -0.0082 229 ARG A O 1853 C CB . ARG A 229 ? 0.1566 0.1220 0.1631 -0.0191 0.0394 0.0116 229 ARG A CB 1854 C CG . ARG A 229 ? 0.1786 0.1789 0.1572 -0.0025 0.0318 0.0084 229 ARG A CG 1855 C CD . ARG A 229 ? 0.1641 0.2283 0.2140 -0.0028 0.0285 0.0154 229 ARG A CD 1856 N NE . ARG A 229 ? 0.2798 0.2973 0.2963 0.0183 0.0588 -0.0275 229 ARG A NE 1857 C CZ . ARG A 229 ? 0.4392 0.4461 0.3508 0.0132 0.0139 0.0159 229 ARG A CZ 1858 N NH1 . ARG A 229 ? 0.4739 0.5079 0.4310 0.0053 -0.0161 0.0061 229 ARG A NH1 1859 N NH2 . ARG A 229 ? 0.4423 0.4411 0.3330 -0.0042 0.0397 0.0119 229 ARG A NH2 1860 N N . ALA A 230 ? 0.1189 0.1887 0.2328 0.0192 -0.0145 -0.0176 230 ALA A N 1861 C CA . ALA A 230 ? 0.1451 0.2322 0.2074 0.0005 -0.0024 -0.0086 230 ALA A CA 1862 C C . ALA A 230 ? 0.1106 0.1886 0.2402 0.0015 0.0173 -0.0481 230 ALA A C 1863 O O . ALA A 230 ? 0.1313 0.2696 0.3009 -0.0248 -0.0047 -0.0403 230 ALA A O 1864 C CB . ALA A 230 ? 0.1493 0.2336 0.2982 -0.0217 0.0234 -0.0448 230 ALA A CB 1865 N N . SER A 231 ? 0.1128 0.1958 0.2004 -0.0021 0.0174 -0.0265 231 SER A N 1866 C CA . SER A 231 ? 0.1503 0.1720 0.1846 -0.0312 0.0173 0.0003 231 SER A CA 1867 C C . SER A 231 ? 0.1622 0.1755 0.2211 -0.0237 0.0175 -0.0150 231 SER A C 1868 O O . SER A 231 ? 0.2315 0.2513 0.2466 -0.0351 -0.0097 -0.0283 231 SER A O 1869 C CB . SER A 231 ? 0.1431 0.2440 0.2811 0.0058 -0.0367 -0.0162 231 SER A CB 1870 O OG . SER A 231 ? 0.1846 0.2693 0.3119 0.0230 -0.0520 0.0127 231 SER A OG 1871 N N . ASN A 232 ? 0.1496 0.1598 0.2490 -0.0118 0.0250 -0.0364 232 ASN A N 1872 C CA . ASN A 232 ? 0.2123 0.1871 0.2957 -0.0114 0.0258 0.0067 232 ASN A CA 1873 C C . ASN A 232 ? 0.2242 0.1639 0.2299 -0.0294 0.0080 -0.0115 232 ASN A C 1874 O O . ASN A 232 ? 0.2139 0.1818 0.2508 -0.0319 0.0028 -0.0344 232 ASN A O 1875 C CB . ASN A 232 ? 0.2539 0.1786 0.2576 -0.0414 0.0023 -0.0155 232 ASN A CB 1876 C CG . ASN A 232 ? 0.2280 0.1854 0.2965 -0.0100 0.0374 -0.0485 232 ASN A CG 1877 O OD1 . ASN A 232 ? 0.2001 0.1958 0.3807 -0.0512 0.0204 -0.0850 232 ASN A OD1 1878 N ND2 . ASN A 232 ? 0.2560 0.2628 0.3981 -0.0921 0.0695 -0.0127 232 ASN A ND2 1879 N N . VAL A 233 ? 0.2018 0.1927 0.2774 -0.0112 0.0320 -0.0539 233 VAL A N 1880 C CA . VAL A 233 ? 0.1948 0.2080 0.2428 0.0042 0.0335 -0.0193 233 VAL A CA 1881 C C . VAL A 233 ? 0.2142 0.1820 0.2485 -0.0113 -0.0152 -0.0353 233 VAL A C 1882 O O . VAL A 233 ? 0.2152 0.1729 0.3052 -0.0120 -0.0116 -0.0267 233 VAL A O 1883 C CB . VAL A 233 ? 0.2695 0.2698 0.2472 -0.0150 0.0313 -0.0197 233 VAL A CB 1884 C CG1 . VAL A 233 ? 0.2239 0.2078 0.2628 -0.0128 0.0237 -0.0279 233 VAL A CG1 1885 C CG2 . VAL A 233 ? 0.2464 0.2601 0.2757 -0.0005 0.0136 -0.0365 233 VAL A CG2 1886 N N A SER A 234 ? 0.2058 0.2444 0.2561 -0.0232 0.0091 -0.0298 234 SER A N 1887 N N B SER A 234 ? 0.1973 0.2298 0.2426 -0.0209 0.0087 -0.0314 234 SER A N 1888 C CA A SER A 234 ? 0.2292 0.2367 0.3036 -0.0256 -0.0036 -0.0251 234 SER A CA 1889 C CA B SER A 234 ? 0.1987 0.2120 0.2909 -0.0349 -0.0040 -0.0306 234 SER A CA 1890 C C A SER A 234 ? 0.2225 0.2286 0.3068 -0.0104 -0.0027 -0.0066 234 SER A C 1891 C C B SER A 234 ? 0.2102 0.2257 0.2964 -0.0130 -0.0026 -0.0078 234 SER A C 1892 O O A SER A 234 ? 0.2856 0.2224 0.3311 -0.0517 -0.0075 -0.0144 234 SER A O 1893 O O B SER A 234 ? 0.2879 0.2158 0.3266 -0.0512 -0.0089 -0.0170 234 SER A O 1894 C CB A SER A 234 ? 0.2527 0.2822 0.3289 -0.0405 -0.0105 -0.0212 234 SER A CB 1895 C CB B SER A 234 ? 0.1802 0.2284 0.2988 -0.0260 -0.0050 -0.0321 234 SER A CB 1896 O OG A SER A 234 ? 0.2642 0.2938 0.3531 -0.0514 0.0138 -0.0072 234 SER A OG 1897 O OG B SER A 234 ? 0.2696 0.2531 0.3020 -0.0422 -0.0262 0.0115 234 SER A OG 1898 N N . LEU A 235 ? 0.1783 0.2022 0.3293 -0.0616 0.0260 -0.0316 235 LEU A N 1899 C CA . LEU A 235 ? 0.1979 0.1794 0.3116 -0.0407 0.0155 0.0050 235 LEU A CA 1900 C C . LEU A 235 ? 0.2143 0.1762 0.2392 -0.0070 0.0130 0.0009 235 LEU A C 1901 O O . LEU A 235 ? 0.2173 0.1813 0.2650 -0.0422 0.0480 0.0070 235 LEU A O 1902 C CB . LEU A 235 ? 0.2230 0.1663 0.3391 -0.0114 -0.0083 -0.0018 235 LEU A CB 1903 C CG . LEU A 235 ? 0.2776 0.2588 0.3609 0.0141 0.0135 0.0273 235 LEU A CG 1904 C CD1 . LEU A 235 ? 0.2589 0.2298 0.3095 -0.0101 0.0343 -0.0423 235 LEU A CD1 1905 C CD2 . LEU A 235 ? 0.3173 0.3017 0.3918 -0.0148 0.0289 0.0213 235 LEU A CD2 1906 N N . ARG A 236 ? 0.1952 0.1425 0.2416 -0.0083 0.0364 -0.0700 236 ARG A N 1907 C CA . ARG A 236 ? 0.1901 0.1919 0.2197 -0.0041 0.0099 -0.0146 236 ARG A CA 1908 C C . ARG A 236 ? 0.1258 0.1470 0.1907 -0.0220 0.0287 0.0177 236 ARG A C 1909 O O . ARG A 236 ? 0.2024 0.1315 0.1879 -0.0063 0.0149 0.0191 236 ARG A O 1910 C CB . ARG A 236 ? 0.1662 0.2234 0.2023 -0.0003 0.0320 -0.0078 236 ARG A CB 1911 C CG . ARG A 236 ? 0.2484 0.2108 0.2506 0.0029 0.0204 -0.0466 236 ARG A CG 1912 C CD . ARG A 236 ? 0.3285 0.2797 0.4055 0.0371 0.0058 0.0201 236 ARG A CD 1913 N NE . ARG A 236 ? 0.3917 0.3382 0.3897 0.0054 0.0048 -0.0002 236 ARG A NE 1914 C CZ . ARG A 236 ? 0.4744 0.4109 0.4924 0.0136 -0.0129 0.0333 236 ARG A CZ 1915 N NH1 . ARG A 236 ? 0.3715 0.4023 0.4556 0.0366 0.0182 0.0154 236 ARG A NH1 1916 N NH2 . ARG A 236 ? 0.5259 0.4105 0.5822 0.0398 0.0150 0.0086 236 ARG A NH2 1917 N N . GLU A 237 ? 0.1946 0.1358 0.2179 0.0070 0.0176 0.0005 237 GLU A N 1918 C CA . GLU A 237 ? 0.2099 0.1458 0.1623 0.0129 0.0414 0.0021 237 GLU A CA 1919 C C . GLU A 237 ? 0.1566 0.1378 0.1666 -0.0019 0.0145 -0.0182 237 GLU A C 1920 O O . GLU A 237 ? 0.1318 0.1366 0.1942 -0.0176 -0.0069 0.0020 237 GLU A O 1921 C CB . GLU A 237 ? 0.1370 0.1664 0.2143 0.0041 0.0529 0.0309 237 GLU A CB 1922 C CG . GLU A 237 ? 0.2341 0.1690 0.2104 0.0045 0.0615 0.0301 237 GLU A CG 1923 C CD . GLU A 237 ? 0.2608 0.3003 0.2676 0.0269 0.0476 0.0360 237 GLU A CD 1924 O OE1 . GLU A 237 ? 0.2728 0.3318 0.2428 0.0646 0.0624 0.0687 237 GLU A OE1 1925 O OE2 . GLU A 237 ? 0.4590 0.3862 0.2842 0.0179 0.0787 0.0735 237 GLU A OE2 1926 N N . ILE A 238 ? 0.1357 0.0924 0.1919 -0.0304 0.0284 0.0063 238 ILE A N 1927 C CA . ILE A 238 ? 0.1340 0.0937 0.1458 -0.0488 0.0443 -0.0114 238 ILE A CA 1928 C C . ILE A 238 ? 0.1430 0.1325 0.1712 -0.0191 -0.0017 -0.0078 238 ILE A C 1929 O O . ILE A 238 ? 0.1584 0.1359 0.1656 0.0131 0.0224 -0.0142 238 ILE A O 1930 C CB . ILE A 238 ? 0.1158 0.1154 0.1165 0.0129 0.0323 -0.0081 238 ILE A CB 1931 C CG1 . ILE A 238 ? 0.1671 0.1336 0.1565 0.0051 -0.0141 -0.0254 238 ILE A CG1 1932 C CG2 . ILE A 238 ? 0.2026 0.1432 0.1974 -0.0439 0.0484 0.0414 238 ILE A CG2 1933 C CD1 . ILE A 238 ? 0.1453 0.2373 0.1630 0.0087 -0.0373 -0.0015 238 ILE A CD1 1934 N N . ILE A 239 ? 0.1116 0.1072 0.1550 0.0076 0.0052 -0.0081 239 ILE A N 1935 C CA . ILE A 239 ? 0.0851 0.1117 0.1417 -0.0078 0.0116 -0.0134 239 ILE A CA 1936 C C . ILE A 239 ? 0.0897 0.1216 0.1405 0.0223 -0.0150 0.0091 239 ILE A C 1937 O O . ILE A 239 ? 0.1093 0.1143 0.1436 0.0013 0.0037 -0.0201 239 ILE A O 1938 C CB . ILE A 239 ? 0.1201 0.1168 0.1584 0.0242 0.0119 0.0446 239 ILE A CB 1939 C CG1 . ILE A 239 ? 0.0642 0.1684 0.1868 0.0054 -0.0040 -0.0004 239 ILE A CG1 1940 C CG2 . ILE A 239 ? 0.1957 0.1118 0.1706 -0.0330 0.0287 0.0143 239 ILE A CG2 1941 C CD1 . ILE A 239 ? 0.0798 0.1893 0.1358 0.0002 0.0092 -0.0201 239 ILE A CD1 1942 N N . ILE A 240 ? 0.1149 0.0923 0.1366 -0.0172 0.0012 -0.0025 240 ILE A N 1943 C CA . ILE A 240 ? 0.0868 0.0835 0.1204 0.0100 0.0084 -0.0366 240 ILE A CA 1944 C C . ILE A 240 ? 0.1119 0.0926 0.1439 -0.0013 0.0034 0.0054 240 ILE A C 1945 O O . ILE A 240 ? 0.1442 0.1351 0.1615 0.0052 0.0225 0.0172 240 ILE A O 1946 C CB . ILE A 240 ? 0.1166 0.1303 0.1289 -0.0205 0.0299 -0.0276 240 ILE A CB 1947 C CG1 . ILE A 240 ? 0.1540 0.1739 0.1148 -0.0280 -0.0028 -0.0106 240 ILE A CG1 1948 C CG2 . ILE A 240 ? 0.0753 0.1441 0.1746 -0.0039 0.0205 0.0128 240 ILE A CG2 1949 C CD1 . ILE A 240 ? 0.1845 0.1643 0.1587 0.0009 -0.0187 -0.0480 240 ILE A CD1 1950 N N . PHE A 241 ? 0.0661 0.1204 0.1352 0.0108 -0.0185 0.0002 241 PHE A N 1951 C CA . PHE A 241 ? 0.0729 0.1104 0.1576 0.0255 -0.0136 0.0044 241 PHE A CA 1952 C C . PHE A 241 ? 0.1407 0.1039 0.1501 0.0044 0.0074 -0.0275 241 PHE A C 1953 O O . PHE A 241 ? 0.1121 0.1505 0.1595 0.0147 0.0151 0.0019 241 PHE A O 1954 C CB . PHE A 241 ? 0.0791 0.1834 0.2183 -0.0102 -0.0002 -0.0339 241 PHE A CB 1955 C CG . PHE A 241 ? 0.0641 0.1287 0.1647 -0.0062 0.0030 0.0155 241 PHE A CG 1956 C CD1 . PHE A 241 ? 0.0641 0.1683 0.1665 -0.0215 -0.0047 -0.0028 241 PHE A CD1 1957 C CD2 . PHE A 241 ? 0.0833 0.1686 0.2209 0.0315 -0.0232 0.0010 241 PHE A CD2 1958 C CE1 . PHE A 241 ? 0.1074 0.2086 0.2182 -0.0029 0.0045 0.0082 241 PHE A CE1 1959 C CE2 . PHE A 241 ? 0.0837 0.2392 0.1871 0.0120 0.0089 -0.0011 241 PHE A CE2 1960 C CZ . PHE A 241 ? 0.1553 0.2304 0.1723 -0.0010 -0.0023 0.0132 241 PHE A CZ 1961 N N . PRO A 242 ? 0.0802 0.1488 0.1559 0.0132 0.0264 -0.0039 242 PRO A N 1962 C CA . PRO A 242 ? 0.1272 0.1204 0.1395 0.0542 -0.0017 -0.0050 242 PRO A CA 1963 C C . PRO A 242 ? 0.1372 0.1151 0.1394 0.0260 -0.0003 0.0091 242 PRO A C 1964 O O . PRO A 242 ? 0.0921 0.1513 0.1634 0.0063 0.0028 -0.0058 242 PRO A O 1965 C CB . PRO A 242 ? 0.1474 0.1975 0.1371 0.0877 0.0255 -0.0199 242 PRO A CB 1966 C CG . PRO A 242 ? 0.1643 0.1635 0.2790 -0.0010 0.0725 0.0285 242 PRO A CG 1967 C CD . PRO A 242 ? 0.1136 0.1601 0.1875 0.0226 0.0604 -0.0084 242 PRO A CD 1968 N N . ALA A 243 ? 0.1454 0.1268 0.1364 -0.0105 0.0114 0.0030 243 ALA A N 1969 C CA . ALA A 243 ? 0.1245 0.1449 0.1344 0.0247 -0.0012 0.0172 243 ALA A CA 1970 C C . ALA A 243 ? 0.0963 0.1182 0.1700 -0.0077 -0.0038 -0.0041 243 ALA A C 1971 O O . ALA A 243 ? 0.1322 0.1215 0.1783 0.0239 0.0024 -0.0344 243 ALA A O 1972 C CB . ALA A 243 ? 0.1467 0.1159 0.1971 -0.0025 0.0209 0.0114 243 ALA A CB 1973 N N . THR A 244 ? 0.0993 0.1332 0.1641 0.0026 -0.0128 -0.0274 244 THR A N 1974 C CA . THR A 244 ? 0.1223 0.1533 0.1455 0.0134 -0.0255 0.0234 244 THR A CA 1975 C C . THR A 244 ? 0.1962 0.1365 0.1752 0.0423 0.0153 -0.0125 244 THR A C 1976 O O . THR A 244 ? 0.2002 0.1948 0.2172 0.0111 -0.0281 -0.0213 244 THR A O 1977 C CB . THR A 244 ? 0.1687 0.1547 0.1510 0.0021 0.0206 -0.0345 244 THR A CB 1978 O OG1 . THR A 244 ? 0.1353 0.1631 0.2133 -0.0024 -0.0178 -0.0340 244 THR A OG1 1979 C CG2 . THR A 244 ? 0.1717 0.2345 0.1660 -0.0053 0.0011 0.0042 244 THR A CG2 1980 N N . GLY A 245 ? 0.1701 0.1654 0.1449 0.0054 0.0400 -0.0117 245 GLY A N 1981 C CA . GLY A 245 ? 0.2772 0.2110 0.1511 -0.0133 0.0247 -0.0329 245 GLY A CA 1982 C C . GLY A 245 ? 0.1668 0.2111 0.1448 0.0110 0.0115 -0.0148 245 GLY A C 1983 O O . GLY A 245 ? 0.3039 0.2959 0.1287 -0.0180 0.0239 -0.0326 245 GLY A O 1984 N N . ASN A 246 ? 0.1658 0.1700 0.2004 0.0182 0.0083 -0.0437 246 ASN A N 1985 C CA . ASN A 246 ? 0.1489 0.1497 0.1901 0.0129 0.0321 -0.0230 246 ASN A CA 1986 C C . ASN A 246 ? 0.1457 0.1528 0.2076 0.0167 -0.0286 -0.0263 246 ASN A C 1987 O O . ASN A 246 ? 0.1470 0.1750 0.1645 0.0339 -0.0103 -0.0198 246 ASN A O 1988 C CB . ASN A 246 ? 0.1265 0.1914 0.2346 0.0193 0.0493 -0.0497 246 ASN A CB 1989 C CG . ASN A 246 ? 0.1681 0.2266 0.2669 0.0414 -0.0313 -0.0114 246 ASN A CG 1990 O OD1 . ASN A 246 ? 0.2303 0.3143 0.3249 0.0947 -0.0232 0.0242 246 ASN A OD1 1991 N ND2 . ASN A 246 ? 0.2524 0.2809 0.2932 0.0128 -0.0241 -0.0181 246 ASN A ND2 1992 N N . PRO A 247 ? 0.1545 0.1590 0.1656 0.0201 -0.0117 -0.0369 247 PRO A N 1993 C CA . PRO A 247 ? 0.1619 0.1545 0.1735 0.0427 -0.0481 -0.0259 247 PRO A CA 1994 C C . PRO A 247 ? 0.1637 0.1235 0.1260 0.0148 -0.0115 0.0046 247 PRO A C 1995 O O . PRO A 247 ? 0.1735 0.1762 0.1892 0.0243 0.0139 -0.0471 247 PRO A O 1996 C CB . PRO A 247 ? 0.2328 0.1792 0.1616 0.0260 -0.0600 -0.0288 247 PRO A CB 1997 C CG . PRO A 247 ? 0.1777 0.2275 0.1942 0.0305 -0.0407 -0.0361 247 PRO A CG 1998 C CD . PRO A 247 ? 0.1866 0.2111 0.1577 0.0501 -0.0805 -0.0426 247 PRO A CD 1999 N N . ASN A 248 ? 0.2014 0.1053 0.1480 -0.0065 -0.0190 -0.0296 248 ASN A N 2000 C CA . ASN A 248 ? 0.1355 0.1221 0.1998 -0.0331 0.0110 -0.0094 248 ASN A CA 2001 C C . ASN A 248 ? 0.1290 0.1419 0.1543 0.0099 -0.0109 -0.0094 248 ASN A C 2002 O O . ASN A 248 ? 0.1251 0.1621 0.1432 -0.0234 -0.0095 -0.0358 248 ASN A O 2003 C CB . ASN A 248 ? 0.1657 0.1834 0.2008 0.0059 0.0404 -0.0069 248 ASN A CB 2004 C CG . ASN A 248 ? 0.1054 0.1548 0.1566 -0.0028 0.0084 0.0041 248 ASN A CG 2005 O OD1 . ASN A 248 ? 0.1884 0.1953 0.2335 0.0301 0.0138 0.0229 248 ASN A OD1 2006 N ND2 . ASN A 248 ? 0.1311 0.1926 0.1375 -0.0227 -0.0084 -0.0078 248 ASN A ND2 2007 N N . GLN A 249 ? 0.1373 0.1363 0.1240 -0.0140 -0.0221 -0.0322 249 GLN A N 2008 C CA . GLN A 249 ? 0.1089 0.1227 0.1399 -0.0105 0.0108 -0.0467 249 GLN A CA 2009 C C . GLN A 249 ? 0.1059 0.1026 0.1484 0.0360 0.0005 -0.0034 249 GLN A C 2010 O O . GLN A 249 ? 0.1247 0.1420 0.1467 0.0041 0.0023 -0.0280 249 GLN A O 2011 C CB . GLN A 249 ? 0.1268 0.0811 0.1449 0.0076 0.0342 -0.0199 249 GLN A CB 2012 C CG . GLN A 249 ? 0.1144 0.1066 0.1811 -0.0002 0.0517 -0.0415 249 GLN A CG 2013 C CD . GLN A 249 ? 0.1310 0.1584 0.1379 0.0355 0.0008 -0.0307 249 GLN A CD 2014 O OE1 . GLN A 249 ? 0.1397 0.1410 0.1683 0.0223 0.0215 0.0079 249 GLN A OE1 2015 N NE2 . GLN A 249 ? 0.1029 0.1729 0.1355 -0.0124 0.0029 -0.0127 249 GLN A NE2 2016 N N . GLN A 250 ? 0.1234 0.1361 0.1524 0.0331 0.0117 -0.0213 250 GLN A N 2017 C CA . GLN A 250 ? 0.1249 0.1688 0.1138 0.0496 -0.0046 -0.0130 250 GLN A CA 2018 C C . GLN A 250 ? 0.1155 0.1427 0.1415 -0.0006 0.0436 -0.0186 250 GLN A C 2019 O O . GLN A 250 ? 0.1388 0.1108 0.1747 -0.0067 0.0190 -0.0262 250 GLN A O 2020 C CB . GLN A 250 ? 0.1540 0.2163 0.0793 0.0443 -0.0080 -0.0185 250 GLN A CB 2021 C CG . GLN A 250 ? 0.1748 0.2635 0.2565 0.0464 -0.0182 0.0070 250 GLN A CG 2022 C CD . GLN A 250 ? 0.4837 0.3940 0.4742 -0.0253 -0.0088 0.0405 250 GLN A CD 2023 O OE1 . GLN A 250 ? 0.4429 0.4786 0.4738 0.0340 -0.0423 0.0133 250 GLN A OE1 2024 N NE2 . GLN A 250 ? 0.6318 0.6011 0.6303 0.0329 0.0180 -0.0275 250 GLN A NE2 2025 N N . TRP A 251 ? 0.1244 0.1228 0.1136 -0.0067 0.0119 0.0145 251 TRP A N 2026 C CA . TRP A 251 ? 0.1125 0.1375 0.1253 0.0069 0.0328 0.0275 251 TRP A CA 2027 C C . TRP A 251 ? 0.1397 0.1375 0.1406 0.0117 0.0256 -0.0087 251 TRP A C 2028 O O . TRP A 251 ? 0.1834 0.1360 0.1822 -0.0077 0.0313 0.0036 251 TRP A O 2029 C CB . TRP A 251 ? 0.1424 0.1763 0.1378 -0.0057 0.0248 0.0152 251 TRP A CB 2030 C CG . TRP A 251 ? 0.1033 0.0740 0.1258 0.0200 0.0243 0.0027 251 TRP A CG 2031 C CD1 . TRP A 251 ? 0.1044 0.1320 0.1085 0.0398 0.0083 -0.0086 251 TRP A CD1 2032 C CD2 . TRP A 251 ? 0.0911 0.0891 0.1140 0.0041 0.0101 -0.0200 251 TRP A CD2 2033 N NE1 . TRP A 251 ? 0.1335 0.1290 0.1521 -0.0010 -0.0258 0.0313 251 TRP A NE1 2034 C CE2 . TRP A 251 ? 0.1294 0.1199 0.0861 -0.0030 -0.0091 0.0140 251 TRP A CE2 2035 C CE3 . TRP A 251 ? 0.1162 0.1023 0.1160 0.0204 -0.0096 -0.0355 251 TRP A CE3 2036 C CZ2 . TRP A 251 ? 0.0974 0.1183 0.1154 0.0176 -0.0197 0.0141 251 TRP A CZ2 2037 C CZ3 . TRP A 251 ? 0.1399 0.1461 0.1071 0.0137 0.0090 -0.0007 251 TRP A CZ3 2038 C CH2 . TRP A 251 ? 0.1335 0.1006 0.1213 0.0120 -0.0065 -0.0011 251 TRP A CH2 2039 N N A VAL A 252 ? 0.1441 0.1627 0.1396 0.0289 0.0190 0.0009 252 VAL A N 2040 N N B VAL A 252 ? 0.1562 0.1778 0.1571 0.0302 0.0182 -0.0021 252 VAL A N 2041 C CA A VAL A 252 ? 0.1372 0.1199 0.1532 0.0150 0.0150 -0.0096 252 VAL A CA 2042 C CA B VAL A 252 ? 0.1578 0.1528 0.1911 0.0065 0.0129 0.0080 252 VAL A CA 2043 C C A VAL A 252 ? 0.1559 0.1292 0.1384 0.0144 0.0213 0.0074 252 VAL A C 2044 C C B VAL A 252 ? 0.1759 0.1414 0.1657 0.0044 0.0174 0.0130 252 VAL A C 2045 O O A VAL A 252 ? 0.1409 0.1200 0.2044 -0.0059 -0.0096 0.0105 252 VAL A O 2046 O O B VAL A 252 ? 0.1919 0.1444 0.1287 -0.0210 0.0291 0.0279 252 VAL A O 2047 C CB A VAL A 252 ? 0.1996 0.1792 0.1760 0.0282 -0.0142 0.0319 252 VAL A CB 2048 C CB B VAL A 252 ? 0.1797 0.1559 0.1936 0.0017 0.0063 0.0119 252 VAL A CB 2049 C CG1 A VAL A 252 ? 0.1858 0.2613 0.1080 0.0523 0.0167 0.0225 252 VAL A CG1 2050 C CG1 B VAL A 252 ? 0.1812 0.1164 0.1323 0.0158 -0.0254 0.0217 252 VAL A CG1 2051 C CG2 A VAL A 252 ? 0.2050 0.2064 0.2066 0.0117 -0.0081 -0.0067 252 VAL A CG2 2052 C CG2 B VAL A 252 ? 0.1686 0.2625 0.2415 -0.0030 0.0235 -0.0143 252 VAL A CG2 2053 N N . THR A 253 ? 0.1248 0.1708 0.1676 0.0216 0.0019 0.0046 253 THR A N 2054 C CA . THR A 253 ? 0.1442 0.1675 0.1458 0.0051 0.0035 0.0106 253 THR A CA 2055 C C . THR A 253 ? 0.1872 0.1538 0.1548 0.0361 0.0075 0.0090 253 THR A C 2056 O O . THR A 253 ? 0.3092 0.2019 0.1701 0.0765 0.0724 0.0245 253 THR A O 2057 C CB . THR A 253 ? 0.1699 0.2168 0.1932 -0.0332 0.0239 0.0057 253 THR A CB 2058 O OG1 . THR A 253 ? 0.2506 0.2240 0.2783 -0.0303 0.0118 0.0446 253 THR A OG1 2059 C CG2 . THR A 253 ? 0.2826 0.2310 0.1717 -0.0552 0.0137 -0.0195 253 THR A CG2 2060 N N . GLN A 254 ? 0.1725 0.1101 0.1283 0.0049 0.0215 0.0078 254 GLN A N 2061 C CA . GLN A 254 ? 0.1701 0.1980 0.1313 0.0366 0.0277 -0.0017 254 GLN A CA 2062 C C . GLN A 254 ? 0.1258 0.1312 0.0999 0.0012 0.0503 0.0106 254 GLN A C 2063 O O . GLN A 254 ? 0.1780 0.1803 0.1687 -0.0039 0.0294 0.0603 254 GLN A O 2064 C CB . GLN A 254 ? 0.1955 0.2494 0.1952 0.0332 0.0019 -0.0201 254 GLN A CB 2065 C CG . GLN A 254 ? 0.1765 0.3151 0.2309 -0.0098 -0.0369 0.0083 254 GLN A CG 2066 C CD . GLN A 254 ? 0.4423 0.4465 0.3192 0.0244 -0.0092 0.0418 254 GLN A CD 2067 O OE1 . GLN A 254 ? 0.4876 0.4545 0.4578 0.0633 0.0115 -0.0078 254 GLN A OE1 2068 N NE2 . GLN A 254 ? 0.4368 0.4958 0.4147 0.0189 0.0144 0.0117 254 GLN A NE2 2069 N N . VAL A 255 ? 0.1400 0.1619 0.1456 -0.0072 0.0549 0.0343 255 VAL A N 2070 C CA . VAL A 255 ? 0.1464 0.1649 0.2041 -0.0330 0.0035 -0.0067 255 VAL A CA 2071 C C . VAL A 255 ? 0.1793 0.1602 0.2120 0.0098 0.0202 0.0022 255 VAL A C 2072 O O . VAL A 255 ? 0.2436 0.1993 0.1880 -0.0130 0.0249 -0.0025 255 VAL A O 2073 C CB . VAL A 255 ? 0.2188 0.2334 0.3486 -0.0299 0.0168 0.0067 255 VAL A CB 2074 C CG1 . VAL A 255 ? 0.2498 0.2905 0.3423 -0.0019 0.0417 -0.0026 255 VAL A CG1 2075 C CG2 . VAL A 255 ? 0.3638 0.2676 0.4058 -0.0379 0.0017 -0.0038 255 VAL A CG2 2076 N N . LEU A 256 ? 0.1899 0.1968 0.1724 0.0149 0.0106 -0.0138 256 LEU A N 2077 C CA . LEU A 256 ? 0.2263 0.1692 0.2092 0.0179 0.0238 0.0105 256 LEU A CA 2078 C C . LEU A 256 ? 0.2477 0.2256 0.1392 -0.0105 0.0073 0.0125 256 LEU A C 2079 O O . LEU A 256 ? 0.2205 0.2315 0.2077 -0.0061 0.0333 -0.0158 256 LEU A O 2080 C CB . LEU A 256 ? 0.1548 0.2164 0.1343 0.0213 -0.0363 0.0098 256 LEU A CB 2081 C CG . LEU A 256 ? 0.1707 0.1883 0.1737 -0.0249 0.0068 -0.0439 256 LEU A CG 2082 C CD1 . LEU A 256 ? 0.2214 0.1612 0.1783 0.0048 0.0208 -0.0069 256 LEU A CD1 2083 C CD2 . LEU A 256 ? 0.2513 0.1798 0.2266 -0.0067 -0.0183 -0.0471 256 LEU A CD2 2084 N N . PRO A 257 ? 0.2180 0.1849 0.1908 -0.0109 0.0476 -0.0010 257 PRO A N 2085 C CA . PRO A 257 ? 0.2045 0.2030 0.1855 0.0260 0.0259 0.0149 257 PRO A CA 2086 C C . PRO A 257 ? 0.2559 0.3298 0.2736 0.0081 -0.0113 0.0208 257 PRO A C 2087 O O . PRO A 257 ? 0.2546 0.2928 0.3003 0.0258 0.0132 0.0238 257 PRO A O 2088 C CB . PRO A 257 ? 0.2664 0.2105 0.2516 0.0145 0.0475 -0.0457 257 PRO A CB 2089 C CG . PRO A 257 ? 0.2416 0.2059 0.2508 0.0146 0.0168 -0.0536 257 PRO A CG 2090 C CD . PRO A 257 ? 0.2428 0.1880 0.1810 -0.0191 0.0081 -0.0315 257 PRO A CD 2091 C C1 . NAG B . ? 0.3211 0.3203 0.2378 -0.0191 0.0379 -0.0067 258 NAG A C1 2092 C C2 . NAG B . ? 0.3536 0.3573 0.2395 -0.0204 0.0409 -0.0177 258 NAG A C2 2093 C C3 . NAG B . ? 0.3718 0.3646 0.3082 -0.0244 0.0340 -0.0266 258 NAG A C3 2094 C C4 . NAG B . ? 0.4249 0.4464 0.4126 0.0031 0.0096 -0.0003 258 NAG A C4 2095 C C5 . NAG B . ? 0.4154 0.4450 0.4143 -0.0322 -0.0053 -0.0187 258 NAG A C5 2096 C C6 . NAG B . ? 0.4589 0.4965 0.4406 0.0038 0.0017 0.0016 258 NAG A C6 2097 C C7 . NAG B . ? 0.4611 0.4947 0.4622 0.0025 -0.0060 -0.0293 258 NAG A C7 2098 C C8 . NAG B . ? 0.5187 0.4728 0.5299 0.0045 -0.0139 0.0040 258 NAG A C8 2099 N N2 . NAG B . ? 0.3473 0.4244 0.3715 -0.0001 0.0044 -0.0149 258 NAG A N2 2100 O O3 . NAG B . ? 0.4839 0.5441 0.3853 -0.0491 0.0538 -0.0282 258 NAG A O3 2101 O O4 . NAG B . ? 0.5259 0.4376 0.4622 -0.0261 -0.0003 0.0017 258 NAG A O4 2102 O O5 . NAG B . ? 0.3645 0.3883 0.2208 0.0144 0.0428 0.0169 258 NAG A O5 2103 O O6 . NAG B . ? 0.4888 0.5001 0.4591 -0.0032 0.0044 0.0091 258 NAG A O6 2104 O O7 . NAG B . ? 0.5360 0.5247 0.3879 -0.0052 0.0110 -0.0301 258 NAG A O7 2105 C C1 . NAG C . ? 0.5751 0.5159 0.5144 -0.0120 -0.0147 0.0170 259 NAG A C1 2106 C C2 . NAG C . ? 0.5816 0.5231 0.5547 0.0011 0.0141 0.0000 259 NAG A C2 2107 C C3 . NAG C . ? 0.6105 0.5514 0.5759 -0.0210 -0.0103 0.0142 259 NAG A C3 2108 C C4 . NAG C . ? 0.6899 0.5087 0.6251 -0.0212 0.0070 -0.0198 259 NAG A C4 2109 C C5 . NAG C . ? 0.6824 0.7021 0.7846 0.0019 -0.0204 0.0287 259 NAG A C5 2110 C C6 . NAG C . ? 0.6344 0.5767 0.5926 -0.0285 0.0117 -0.0461 259 NAG A C6 2111 C C7 . NAG C . ? 0.5417 0.4962 0.5095 0.0036 0.0114 -0.0135 259 NAG A C7 2112 C C8 . NAG C . ? 0.4408 0.4528 0.4282 0.0046 0.0146 0.0221 259 NAG A C8 2113 N N2 . NAG C . ? 0.5489 0.5290 0.4751 0.0134 -0.0011 0.0028 259 NAG A N2 2114 O O3 . NAG C . ? 0.5022 0.5092 0.4399 -0.0164 0.0511 0.0325 259 NAG A O3 2115 O O4 . NAG C . ? 0.7528 0.7538 0.7217 -0.0046 -0.0197 0.0039 259 NAG A O4 2116 O O5 . NAG C . ? 0.6561 0.6057 0.5503 -0.0107 0.0141 0.0025 259 NAG A O5 2117 O O6 . NAG C . ? 0.8088 0.7875 0.7237 0.0157 -0.0030 0.0081 259 NAG A O6 2118 O O7 . NAG C . ? 0.4786 0.5426 0.4946 -0.0198 0.0053 0.0071 259 NAG A O7 2119 C C1 . FUC D . ? 0.5177 0.5605 0.5095 -0.0052 0.0059 -0.0187 260 FUC A C1 2120 C C2 . FUC D . ? 0.5855 0.4883 0.5107 -0.0251 0.0128 -0.0028 260 FUC A C2 2121 C C3 . FUC D . ? 0.6787 0.6611 0.7206 -0.0007 -0.0177 -0.0077 260 FUC A C3 2122 C C4 . FUC D . ? 0.5579 0.5928 0.5125 -0.0071 0.0055 -0.0117 260 FUC A C4 2123 C C5 . FUC D . ? 0.5649 0.5638 0.5583 -0.0001 -0.0066 -0.0126 260 FUC A C5 2124 C C6 . FUC D . ? 0.4942 0.4603 0.4679 -0.0094 0.0294 0.0030 260 FUC A C6 2125 O O2 . FUC D . ? 0.5884 0.5640 0.4923 -0.0038 0.0213 -0.0068 260 FUC A O2 2126 O O3 . FUC D . ? 0.6862 0.7175 0.6041 -0.0077 0.0448 -0.0007 260 FUC A O3 2127 O O4 . FUC D . ? 0.6071 0.6565 0.6222 -0.0119 0.0273 -0.0347 260 FUC A O4 2128 O O5 . FUC D . ? 0.5246 0.5515 0.4855 -0.0341 0.0368 -0.0155 260 FUC A O5 2129 C C1 . NAG E . ? 0.2250 0.2152 0.3214 -0.0371 0.0407 0.0634 261 NAG A C1 2130 C C2 . NAG E . ? 0.2935 0.2240 0.3372 -0.0125 0.0459 0.0654 261 NAG A C2 2131 C C3 . NAG E . ? 0.3329 0.2690 0.3709 -0.0399 0.0477 0.0720 261 NAG A C3 2132 C C4 . NAG E . ? 0.4188 0.4006 0.4493 -0.0122 0.0320 0.0166 261 NAG A C4 2133 C C5 . NAG E . ? 0.4054 0.3160 0.4208 -0.0175 0.0354 0.0514 261 NAG A C5 2134 C C6 . NAG E . ? 0.4184 0.3959 0.4425 -0.0312 0.0206 0.0090 261 NAG A C6 2135 C C7 . NAG E . ? 0.2883 0.3489 0.3597 -0.0220 0.0427 0.0210 261 NAG A C7 2136 C C8 . NAG E . ? 0.3371 0.3793 0.3252 0.0008 0.0355 0.0171 261 NAG A C8 2137 N N2 . NAG E . ? 0.3231 0.3407 0.3681 -0.0134 0.0321 0.0395 261 NAG A N2 2138 O O3 . NAG E . ? 0.3979 0.3929 0.4693 -0.0022 0.0409 0.0346 261 NAG A O3 2139 O O4 . NAG E . ? 0.4646 0.4416 0.5713 -0.0167 0.0379 0.0688 261 NAG A O4 2140 O O5 . NAG E . ? 0.2853 0.2823 0.3736 -0.0274 0.0252 0.0665 261 NAG A O5 2141 O O6 . NAG E . ? 0.4980 0.4980 0.5663 -0.0292 -0.0059 0.0015 261 NAG A O6 2142 O O7 . NAG E . ? 0.3098 0.4379 0.3919 -0.0102 0.0186 0.0433 261 NAG A O7 2143 C C1 . NAG F . ? 0.5291 0.5467 0.6260 -0.0286 -0.0131 0.0077 262 NAG A C1 2144 C C2 . NAG F . ? 0.7125 0.5535 0.6374 0.0121 0.0167 0.0260 262 NAG A C2 2145 C C3 . NAG F . ? 0.5755 0.5333 0.6837 0.0028 0.0157 0.0384 262 NAG A C3 2146 C C4 . NAG F . ? 0.8024 0.7448 0.7340 -0.0050 0.0129 0.0188 262 NAG A C4 2147 C C5 . NAG F . ? 0.7402 0.6737 0.7055 -0.0153 0.0056 0.0136 262 NAG A C5 2148 C C6 . NAG F . ? 0.6128 0.6147 0.6395 0.0058 0.0001 -0.0203 262 NAG A C6 2149 C C7 . NAG F . ? 0.5647 0.5210 0.6651 -0.0297 0.0204 0.0228 262 NAG A C7 2150 C C8 . NAG F . ? 0.4985 0.4655 0.5561 -0.0050 0.0265 0.0024 262 NAG A C8 2151 N N2 . NAG F . ? 0.4430 0.4244 0.5483 -0.0378 0.0021 0.0409 262 NAG A N2 2152 O O3 . NAG F . ? 0.7284 0.8147 0.8208 0.0022 0.0047 0.0028 262 NAG A O3 2153 O O4 . NAG F . ? 0.7146 0.7047 0.7631 -0.0219 -0.0118 0.0042 262 NAG A O4 2154 O O5 . NAG F . ? 0.5764 0.6014 0.6739 -0.0038 0.0182 0.0054 262 NAG A O5 2155 O O6 . NAG F . ? 0.6624 0.7181 0.7206 0.0106 0.0181 0.0004 262 NAG A O6 2156 O O7 . NAG F . ? 0.6269 0.5668 0.5373 -0.0311 -0.0054 0.0281 262 NAG A O7 2157 C C1 . FUC G . ? 0.5742 0.5023 0.5443 0.0377 0.0060 -0.0163 263 FUC A C1 2158 C C2 . FUC G . ? 0.8099 0.7780 0.6681 0.0194 -0.0261 -0.0023 263 FUC A C2 2159 C C3 . FUC G . ? 0.6134 0.5936 0.7079 -0.0186 0.0196 0.0423 263 FUC A C3 2160 C C4 . FUC G . ? 0.7980 0.8107 0.8188 -0.0579 -0.0091 0.0076 263 FUC A C4 2161 C C5 . FUC G . ? 0.5995 0.6119 0.7147 0.0207 0.0470 0.0082 263 FUC A C5 2162 C C6 . FUC G . ? 0.7639 0.8170 0.7936 -0.0266 0.0088 -0.0144 263 FUC A C6 2163 O O2 . FUC G . ? 0.6034 0.5792 0.5839 -0.0091 0.0435 0.0384 263 FUC A O2 2164 O O3 . FUC G . ? 0.7487 0.7763 0.7579 -0.0200 0.0059 0.0063 263 FUC A O3 2165 O O4 . FUC G . ? 0.6729 0.6818 0.5920 -0.0188 -0.0144 0.0089 263 FUC A O4 2166 O O5 . FUC G . ? 0.7752 0.7530 0.7425 0.0358 -0.0107 0.0105 263 FUC A O5 2167 C C1 . NAG H . ? 0.1664 0.1987 0.1873 0.0045 0.0077 -0.0222 264 NAG A C1 2168 C C2 . NAG H . ? 0.2259 0.2249 0.2440 0.0238 0.0067 -0.0264 264 NAG A C2 2169 C C3 . NAG H . ? 0.2067 0.2778 0.2466 0.0210 0.0424 -0.0298 264 NAG A C3 2170 C C4 . NAG H . ? 0.2624 0.2882 0.2932 0.0062 -0.0163 0.0200 264 NAG A C4 2171 C C5 . NAG H . ? 0.1888 0.2946 0.2263 -0.0292 -0.0180 0.0033 264 NAG A C5 2172 C C6 . NAG H . ? 0.2480 0.2993 0.3081 -0.0178 -0.0152 0.0275 264 NAG A C6 2173 C C7 . NAG H . ? 0.2497 0.2852 0.2121 0.0275 0.0327 -0.0228 264 NAG A C7 2174 C C8 . NAG H . ? 0.2594 0.2947 0.2464 -0.0080 -0.0094 -0.0500 264 NAG A C8 2175 N N2 . NAG H . ? 0.2543 0.2598 0.2209 0.0582 0.0169 -0.0272 264 NAG A N2 2176 O O3 . NAG H . ? 0.2935 0.3461 0.2431 0.0379 0.0068 -0.0461 264 NAG A O3 2177 O O4 . NAG H . ? 0.2297 0.3599 0.3251 0.0519 0.0282 0.0021 264 NAG A O4 2178 O O5 . NAG H . ? 0.2008 0.2866 0.1887 0.0480 0.0072 0.0200 264 NAG A O5 2179 O O6 . NAG H . ? 0.2340 0.2934 0.2895 0.0539 0.0602 0.0550 264 NAG A O6 2180 O O7 . NAG H . ? 0.2800 0.2989 0.2615 0.0194 0.0319 -0.0175 264 NAG A O7 2181 C C1 . NAG I . ? 0.3339 0.3424 0.4061 0.0310 0.0118 -0.0163 265 NAG A C1 2182 C C2 . NAG I . ? 0.3221 0.4522 0.4206 0.0026 0.0019 -0.0179 265 NAG A C2 2183 C C3 . NAG I . ? 0.4006 0.4455 0.4694 0.0269 0.0121 -0.0150 265 NAG A C3 2184 C C4 . NAG I . ? 0.3726 0.4068 0.4702 0.0124 -0.0079 -0.0015 265 NAG A C4 2185 C C5 . NAG I . ? 0.3072 0.4100 0.4442 0.0432 0.0239 -0.0084 265 NAG A C5 2186 C C6 . NAG I . ? 0.4190 0.4212 0.4585 0.0318 0.0165 -0.0172 265 NAG A C6 2187 C C7 . NAG I . ? 0.4355 0.3976 0.4232 0.0162 -0.0016 0.0008 265 NAG A C7 2188 C C8 . NAG I . ? 0.2981 0.4320 0.3847 0.0279 -0.0048 0.0087 265 NAG A C8 2189 N N2 . NAG I . ? 0.2547 0.3607 0.4095 0.0475 0.0273 -0.0087 265 NAG A N2 2190 O O3 . NAG I . ? 0.3623 0.4770 0.4749 0.0193 -0.0018 -0.0009 265 NAG A O3 2191 O O4 . NAG I . ? 0.4415 0.4137 0.5777 0.0833 -0.0022 -0.0134 265 NAG A O4 2192 O O5 . NAG I . ? 0.3333 0.3827 0.3602 0.0536 0.0426 0.0055 265 NAG A O5 2193 O O6 . NAG I . ? 0.4288 0.5067 0.4095 0.0343 0.0710 -0.0282 265 NAG A O6 2194 O O7 . NAG I . ? 0.3134 0.3975 0.3900 0.0177 0.0482 0.0420 265 NAG A O7 2195 C C1 . NAG J . ? 0.4069 0.3015 0.4416 -0.0499 0.0134 0.0076 266 NAG A C1 2196 C C2 . NAG J . ? 0.4180 0.4960 0.5610 0.0020 0.0357 -0.0073 266 NAG A C2 2197 C C3 . NAG J . ? 0.4775 0.4740 0.5546 -0.0086 -0.0028 -0.0013 266 NAG A C3 2198 C C4 . NAG J . ? 0.5482 0.5898 0.5769 -0.0153 0.0022 0.0103 266 NAG A C4 2199 C C5 . NAG J . ? 0.4903 0.3512 0.5220 -0.0334 -0.0068 0.0247 266 NAG A C5 2200 C C6 . NAG J . ? 0.4428 0.3924 0.4867 -0.0383 0.0122 0.0171 266 NAG A C6 2201 C C7 . NAG J . ? 0.6038 0.6254 0.5635 -0.0643 -0.0163 0.0252 266 NAG A C7 2202 C C8 . NAG J . ? 0.4451 0.3984 0.5233 -0.0050 -0.0054 0.0089 266 NAG A C8 2203 N N2 . NAG J . ? 0.4713 0.5012 0.4951 -0.0582 -0.0462 0.0380 266 NAG A N2 2204 O O3 . NAG J . ? 0.5279 0.5409 0.6088 0.0156 0.0132 -0.0035 266 NAG A O3 2205 O O4 . NAG J . ? 0.6641 0.5946 0.6888 -0.0316 -0.0062 0.0047 266 NAG A O4 2206 O O5 . NAG J . ? 0.3465 0.3012 0.4989 -0.0639 0.0277 0.0283 266 NAG A O5 2207 O O6 . NAG J . ? 0.5089 0.3900 0.5091 -0.0494 0.0147 -0.0129 266 NAG A O6 2208 O O7 . NAG J . ? 0.6093 0.5829 0.6226 0.0326 0.0176 -0.0422 266 NAG A O7 2209 C C1 . LAT K . ? 0.1615 0.2385 0.1632 0.0230 -0.0098 0.0036 267 LAT A C1 2210 C C2 . LAT K . ? 0.1371 0.2554 0.1193 -0.0013 0.0080 0.0019 267 LAT A C2 2211 C C3 . LAT K . ? 0.1305 0.1725 0.1364 0.0257 0.0027 0.0069 267 LAT A C3 2212 C C4 . LAT K . ? 0.1505 0.1460 0.1199 0.0234 -0.0196 0.0029 267 LAT A C4 2213 C C5 . LAT K . ? 0.1220 0.2040 0.1566 0.0044 0.0137 0.0389 267 LAT A C5 2214 C C6 . LAT K . ? 0.1842 0.1673 0.1149 0.0388 -0.0310 0.0149 267 LAT A C6 2215 O O1 . LAT K . ? 0.1230 0.2403 0.2337 0.0254 -0.0181 0.0096 267 LAT A O1 2216 O O2 . LAT K . ? 0.1397 0.2856 0.1604 0.0357 0.0224 -0.0118 267 LAT A O2 2217 O O3 . LAT K . ? 0.1292 0.2123 0.1023 0.0366 0.0098 0.0344 267 LAT A O3 2218 O O4 . LAT K . ? 0.1474 0.1736 0.1454 0.0100 -0.0112 -0.0033 267 LAT A O4 2219 O O5 . LAT K . ? 0.1500 0.2089 0.1617 0.0214 -0.0058 -0.0036 267 LAT A O5 2220 O O6 . LAT K . ? 0.1890 0.2110 0.2162 0.0437 -0.0266 -0.0083 267 LAT A O6 2221 C "C1'" . LAT K . ? 0.4356 0.4405 0.3952 -0.0141 0.0090 0.0202 267 LAT A "C1'" 2222 C "C2'" . LAT K . ? 0.1706 0.3609 0.3008 0.0631 -0.0267 -0.0248 267 LAT A "C2'" 2223 C "C3'" . LAT K . ? 0.1820 0.3916 0.2869 0.0322 -0.0432 -0.0177 267 LAT A "C3'" 2224 C "C4'" . LAT K . ? 0.1236 0.3410 0.2072 0.0639 -0.0404 0.0342 267 LAT A "C4'" 2225 C "C5'" . LAT K . ? 0.2364 0.4076 0.3794 0.0281 0.0191 0.0184 267 LAT A "C5'" 2226 C "C6'" . LAT K . ? 0.4148 0.4683 0.4205 0.0260 -0.0356 -0.0008 267 LAT A "C6'" 2227 O "O2'" . LAT K . ? 0.3177 0.4404 0.3275 0.0618 -0.0492 -0.0328 267 LAT A "O2'" 2228 O "O3'" . LAT K . ? 0.2421 0.4192 0.2724 0.0474 -0.0204 -0.0264 267 LAT A "O3'" 2229 O "O5'" . LAT K . ? 0.1959 0.4766 0.4145 0.0741 -0.0552 0.0121 267 LAT A "O5'" 2230 O "O6'" . LAT K . ? 0.2908 0.4673 0.4779 0.0461 -0.0097 -0.0178 267 LAT A "O6'" 2231 C C1 . LAT L . ? 0.1956 0.2239 0.2220 -0.0208 -0.0070 -0.0192 268 LAT A C1 2232 C C2 . LAT L . ? 0.1708 0.2103 0.1907 0.0029 -0.0091 -0.0142 268 LAT A C2 2233 C C3 . LAT L . ? 0.1618 0.2490 0.1837 0.0131 0.0179 -0.0136 268 LAT A C3 2234 C C4 . LAT L . ? 0.1178 0.1884 0.2147 0.0279 0.0392 0.0167 268 LAT A C4 2235 C C5 . LAT L . ? 0.1705 0.2090 0.2038 -0.0240 0.0422 -0.0401 268 LAT A C5 2236 C C6 . LAT L . ? 0.1862 0.2454 0.2789 0.0274 0.0464 0.0100 268 LAT A C6 2237 O O1 . LAT L . ? 0.1156 0.2052 0.3866 -0.0108 0.0193 -0.0528 268 LAT A O1 2238 O O2 . LAT L . ? 0.1995 0.2711 0.2822 0.0240 -0.0400 -0.0004 268 LAT A O2 2239 O O3 . LAT L . ? 0.1636 0.1990 0.1989 -0.0198 0.0432 -0.0161 268 LAT A O3 2240 O O4 . LAT L . ? 0.1746 0.1601 0.2129 0.0293 0.0372 -0.0362 268 LAT A O4 2241 O O5 . LAT L . ? 0.1968 0.2218 0.2262 -0.0047 0.0159 -0.0294 268 LAT A O5 2242 O O6 . LAT L . ? 0.2289 0.2693 0.3201 -0.0128 0.1004 -0.0178 268 LAT A O6 2243 C "C1'" . LAT L . ? 0.4085 0.4412 0.3509 -0.0349 -0.0203 0.0065 268 LAT A "C1'" 2244 C "C2'" . LAT L . ? 0.3157 0.3678 0.4072 -0.0489 -0.0050 0.0066 268 LAT A "C2'" 2245 C "C3'" . LAT L . ? 0.2505 0.4004 0.3246 -0.0410 0.0013 -0.0061 268 LAT A "C3'" 2246 C "C4'" . LAT L . ? 0.2249 0.2767 0.3664 -0.0145 0.0494 -0.0118 268 LAT A "C4'" 2247 C "C5'" . LAT L . ? 0.3423 0.4147 0.3916 -0.0243 -0.0126 -0.0060 268 LAT A "C5'" 2248 C "C6'" . LAT L . ? 0.4576 0.3956 0.4510 0.0053 0.0091 0.0095 268 LAT A "C6'" 2249 O "O2'" . LAT L . ? 0.3598 0.4526 0.3835 -0.0463 0.0342 0.0339 268 LAT A "O2'" 2250 O "O3'" . LAT L . ? 0.2550 0.3858 0.4345 -0.0453 0.0459 -0.0622 268 LAT A "O3'" 2251 O "O5'" . LAT L . ? 0.3487 0.4054 0.4544 -0.0534 0.0126 0.0241 268 LAT A "O5'" 2252 O "O6'" . LAT L . ? 0.4225 0.4767 0.4340 0.0095 0.0045 0.0145 268 LAT A "O6'" 2253 S S . SO4 M . ? 0.5527 0.6132 0.5864 0.0181 -0.0333 0.0146 901 SO4 A S 2254 O O1 . SO4 M . ? 0.6209 0.6037 0.6027 -0.0003 -0.0144 -0.0104 901 SO4 A O1 2255 O O2 . SO4 M . ? 0.5641 0.5425 0.5734 -0.0134 -0.0259 0.0029 901 SO4 A O2 2256 O O3 . SO4 M . ? 0.6646 0.6594 0.6276 0.0041 -0.0267 0.0199 901 SO4 A O3 2257 O O4 . SO4 M . ? 0.5350 0.4922 0.5173 -0.0141 -0.0135 0.0125 901 SO4 A O4 2258 S S . SO4 N . ? 0.2610 0.2977 0.2475 0.0396 -0.0382 0.0011 902 SO4 A S 2259 O O1 . SO4 N . ? 0.4796 0.4144 0.5779 -0.0250 -0.0081 0.0258 902 SO4 A O1 2260 O O2 . SO4 N . ? 0.2779 0.4763 0.2979 0.0320 -0.0477 -0.0269 902 SO4 A O2 2261 O O3 . SO4 N . ? 0.2228 0.3444 0.1558 0.0011 -0.0067 -0.0544 902 SO4 A O3 2262 O O4 . SO4 N . ? 0.2239 0.5088 0.2135 0.0301 -0.0059 -0.0202 902 SO4 A O4 2263 S S A SO4 O . ? 0.2673 0.2580 0.2461 -0.0001 -0.0088 0.0034 903 SO4 A S 2264 S S B SO4 O . ? 0.0977 0.0804 0.1116 0.0006 0.0004 -0.0002 903 SO4 A S 2265 O O1 A SO4 O . ? 0.2729 0.3025 0.2820 -0.0070 -0.0225 0.0001 903 SO4 A O1 2266 O O1 B SO4 O . ? 0.1051 0.1004 0.1368 0.0151 -0.0080 -0.0022 903 SO4 A O1 2267 O O2 A SO4 O . ? 0.1918 0.1749 0.2141 -0.0008 -0.0105 -0.0103 903 SO4 A O2 2268 O O2 B SO4 O . ? 0.0951 0.0861 0.1483 -0.0217 0.0120 0.0006 903 SO4 A O2 2269 O O3 A SO4 O . ? 0.2570 0.2650 0.2448 0.0086 -0.0008 0.0008 903 SO4 A O3 2270 O O3 B SO4 O . ? 0.1194 0.1017 0.0958 0.0203 -0.0269 -0.0190 903 SO4 A O3 2271 O O4 A SO4 O . ? 0.2673 0.2760 0.2699 -0.0126 -0.0062 -0.0004 903 SO4 A O4 2272 O O4 B SO4 O . ? 0.1192 0.1044 0.0955 -0.0198 0.0265 -0.0182 903 SO4 A O4 2273 S S . SO4 P . ? 0.4069 0.4146 0.3446 -0.0339 0.0528 0.0325 904 SO4 A S 2274 O O1 . SO4 P . ? 0.3429 0.4841 0.4037 0.0349 -0.0042 -0.0297 904 SO4 A O1 2275 O O2 . SO4 P . ? 0.3046 0.3668 0.2979 0.0198 0.0150 0.0214 904 SO4 A O2 2276 O O3 . SO4 P . ? 0.3625 0.4250 0.3674 -0.0336 0.0341 -0.0273 904 SO4 A O3 2277 O O4 . SO4 P . ? 0.4358 0.4649 0.3316 -0.0653 0.0686 0.0129 904 SO4 A O4 2278 S S . SO4 Q . ? 0.2383 0.2870 0.2078 0.0259 0.0151 0.0332 905 SO4 A S 2279 O O1 . SO4 Q . ? 0.1701 0.2443 0.2191 -0.0177 0.0398 0.0361 905 SO4 A O1 2280 O O2 . SO4 Q . ? 0.1695 0.2472 0.3090 0.0232 0.0556 0.0871 905 SO4 A O2 2281 O O3 . SO4 Q . ? 0.2696 0.2985 0.2909 0.0034 -0.0027 -0.0096 905 SO4 A O3 2282 O O4 . SO4 Q . ? 0.3606 0.3034 0.2471 0.0271 0.0699 0.0643 905 SO4 A O4 2283 S S . SO4 R . ? 0.7520 0.7091 0.7747 0.0085 0.0225 0.0209 906 SO4 A S 2284 O O1 . SO4 R . ? 0.7406 0.7465 0.7620 0.0037 0.0024 -0.0273 906 SO4 A O1 2285 O O2 . SO4 R . ? 0.8242 0.8013 0.8351 -0.0087 -0.0040 -0.0028 906 SO4 A O2 2286 O O3 . SO4 R . ? 0.8185 0.8096 0.8245 -0.0067 -0.0028 0.0043 906 SO4 A O3 2287 O O4 . SO4 R . ? 0.7698 0.7536 0.7723 -0.0203 -0.0031 0.0085 906 SO4 A O4 2288 C C . ACT S . ? 0.3093 0.2480 0.2584 -0.0087 -0.0174 0.0351 910 ACT A C 2289 O O . ACT S . ? 0.3174 0.3729 0.4168 0.0562 -0.0548 0.0434 910 ACT A O 2290 O OXT . ACT S . ? 0.3081 0.3460 0.3131 -0.0217 -0.0325 0.0246 910 ACT A OXT 2291 C CH3 . ACT S . ? 0.0941 0.1762 0.1040 -0.0136 -0.0489 -0.0055 910 ACT A CH3 2292 O O . HOH T . ? 0.1086 0.1400 0.1958 0.0033 -0.0213 0.0192 911 HOH A O 2293 O O . HOH T . ? 0.1554 0.0852 0.1161 -0.0071 0.0115 -0.0065 912 HOH A O 2294 O O . HOH T . ? 0.1156 0.1343 0.1486 -0.0078 0.0108 -0.0044 913 HOH A O 2295 O O . HOH T . ? 0.1029 0.2071 0.1508 0.0111 0.0052 -0.0172 914 HOH A O 2296 O O . HOH T . ? 0.1615 0.1147 0.1487 0.0098 -0.0156 -0.0235 915 HOH A O 2297 O O . HOH T . ? 0.1229 0.1144 0.1330 -0.0188 0.0197 0.0150 916 HOH A O 2298 O O . HOH T . ? 0.1407 0.1739 0.2154 -0.0067 -0.0391 -0.0363 917 HOH A O 2299 O O . HOH T . ? 0.0955 0.1596 0.1061 0.0237 -0.0033 -0.0018 918 HOH A O 2300 O O . HOH T . ? 0.1408 0.1317 0.1632 -0.0186 0.0142 -0.0029 919 HOH A O 2301 O O . HOH T . ? 0.1419 0.1342 0.1113 -0.0177 -0.0122 0.0207 920 HOH A O 2302 O O . HOH T . ? 0.1387 0.1643 0.1824 0.0145 0.0000 -0.0007 921 HOH A O 2303 O O . HOH T . ? 0.1178 0.1616 0.1690 -0.0020 0.0140 -0.0371 922 HOH A O 2304 O O . HOH T . ? 0.0958 0.1635 0.1206 0.0069 -0.0189 0.0098 923 HOH A O 2305 O O . HOH T . ? 0.1490 0.1517 0.1156 -0.0131 -0.0119 -0.0174 924 HOH A O 2306 O O . HOH T . ? 0.2712 0.1492 0.1832 -0.0551 0.0135 0.0214 925 HOH A O 2307 O O . HOH T . ? 0.1312 0.1586 0.1716 -0.0002 -0.0314 0.0176 926 HOH A O 2308 O O . HOH T . ? 0.2321 0.1353 0.1883 -0.0151 0.0045 -0.0416 927 HOH A O 2309 O O . HOH T . ? 0.2294 0.1999 0.1561 -0.0098 0.0126 0.0099 928 HOH A O 2310 O O . HOH T . ? 0.1701 0.1285 0.1531 0.0240 -0.0174 -0.0042 929 HOH A O 2311 O O . HOH T . ? 0.2387 0.1602 0.1795 0.0393 0.0266 0.0155 930 HOH A O 2312 O O . HOH T . ? 0.1898 0.1779 0.2359 0.0297 0.0489 0.0177 931 HOH A O 2313 O O . HOH T . ? 0.2106 0.1431 0.1560 -0.0103 0.0371 0.0048 932 HOH A O 2314 O O . HOH T . ? 0.1196 0.2609 0.3271 -0.0202 -0.0286 -0.0367 933 HOH A O 2315 O O . HOH T . ? 0.1799 0.1845 0.1540 -0.0298 0.0241 -0.0120 934 HOH A O 2316 O O . HOH T . ? 0.1349 0.1154 0.1278 -0.0077 -0.0007 0.0008 935 HOH A O 2317 O O . HOH T . ? 0.1755 0.1987 0.1723 -0.0139 0.0211 -0.0309 936 HOH A O 2318 O O . HOH T . ? 0.1773 0.1162 0.1432 -0.0149 -0.0061 -0.0031 937 HOH A O 2319 O O . HOH T . ? 0.2319 0.2032 0.1745 -0.0385 -0.0149 0.0306 938 HOH A O 2320 O O . HOH T . ? 0.1490 0.2124 0.2231 0.0303 0.0070 -0.0263 939 HOH A O 2321 O O . HOH T . ? 0.2275 0.2310 0.2887 -0.0160 0.0180 0.0256 940 HOH A O 2322 O O . HOH T . ? 0.2281 0.2546 0.2659 -0.0331 -0.0102 0.0063 941 HOH A O 2323 O O . HOH T . ? 0.3218 0.2422 0.2468 0.0542 -0.0018 0.0605 942 HOH A O 2324 O O . HOH T . ? 0.2005 0.2043 0.2291 -0.0138 0.0262 0.0612 943 HOH A O 2325 O O . HOH T . ? 0.1880 0.1662 0.1919 -0.0192 0.0115 -0.0088 944 HOH A O 2326 O O . HOH T . ? 0.2237 0.2032 0.1761 -0.0123 -0.0092 -0.0146 945 HOH A O 2327 O O . HOH T . ? 0.1826 0.1741 0.1210 0.0278 0.0125 -0.0048 946 HOH A O 2328 O O . HOH T . ? 0.1582 0.2980 0.1780 0.0334 -0.0139 -0.0464 947 HOH A O 2329 O O . HOH T . ? 0.2734 0.1779 0.2627 0.0101 -0.0134 -0.0057 948 HOH A O 2330 O O . HOH T . ? 0.1582 0.3797 0.1846 0.0537 -0.0513 -0.0944 949 HOH A O 2331 O O . HOH T . ? 0.2257 0.2347 0.2511 0.0068 -0.0435 -0.0117 950 HOH A O 2332 O O . HOH T . ? 0.2168 0.3282 0.1961 -0.0012 -0.0292 0.0275 951 HOH A O 2333 O O . HOH T . ? 0.1980 0.2038 0.2172 0.0179 0.0139 0.0315 952 HOH A O 2334 O O . HOH T . ? 0.1914 0.2340 0.1994 0.0251 0.0072 0.0575 953 HOH A O 2335 O O . HOH T . ? 0.1486 0.2094 0.1136 0.0119 0.0226 -0.0163 954 HOH A O 2336 O O . HOH T . ? 0.2396 0.2216 0.2004 0.0273 -0.0401 -0.0417 955 HOH A O 2337 O O . HOH T . ? 0.2357 0.1849 0.2417 0.0171 0.0276 -0.0435 956 HOH A O 2338 O O . HOH T . ? 0.2562 0.3040 0.2497 0.0269 -0.0162 0.0216 957 HOH A O 2339 O O . HOH T . ? 0.3289 0.2793 0.2026 0.0320 -0.0074 -0.0057 958 HOH A O 2340 O O . HOH T . ? 0.2586 0.1958 0.2453 -0.0219 0.0084 -0.0288 959 HOH A O 2341 O O . HOH T . ? 0.1771 0.2235 0.2887 -0.0172 -0.0015 -0.0155 960 HOH A O 2342 O O . HOH T . ? 0.2141 0.2411 0.2651 0.0729 0.0385 0.0402 961 HOH A O 2343 O O . HOH T . ? 0.2997 0.1896 0.2342 -0.0321 0.0036 0.0229 962 HOH A O 2344 O O . HOH T . ? 0.2328 0.1753 0.2289 -0.0300 -0.0395 -0.0003 963 HOH A O 2345 O O . HOH T . ? 0.2578 0.2304 0.1679 -0.0175 0.0161 -0.0086 964 HOH A O 2346 O O . HOH T . ? 0.1841 0.2390 0.1981 0.0849 0.0207 -0.0161 965 HOH A O 2347 O O . HOH T . ? 0.1887 0.3248 0.2205 0.0333 -0.0104 -0.0121 966 HOH A O 2348 O O . HOH T . ? 0.1717 0.2944 0.1776 -0.0013 0.0204 -0.0129 967 HOH A O 2349 O O . HOH T . ? 0.2402 0.2269 0.2051 -0.0074 0.0352 -0.0275 968 HOH A O 2350 O O . HOH T . ? 0.2484 0.2099 0.1815 -0.0174 0.0142 0.0084 969 HOH A O 2351 O O . HOH T . ? 0.2768 0.2344 0.3638 -0.0335 -0.0646 0.0368 970 HOH A O 2352 O O . HOH T . ? 0.3573 0.2640 0.3385 0.0105 0.0232 0.0165 971 HOH A O 2353 O O . HOH T . ? 0.1771 0.2343 0.1770 0.0195 0.0000 -0.0117 972 HOH A O 2354 O O . HOH T . ? 0.2151 0.2755 0.1980 0.0070 -0.0044 0.0108 973 HOH A O 2355 O O . HOH T . ? 0.3580 0.3355 0.2734 -0.0502 -0.0307 0.0193 974 HOH A O 2356 O O . HOH T . ? 0.1215 0.2813 0.2566 0.0454 0.0090 -0.0044 975 HOH A O 2357 O O . HOH T . ? 0.2810 0.2392 0.2659 0.0146 0.0368 0.0194 976 HOH A O 2358 O O . HOH T . ? 0.2337 0.2219 0.1379 -0.0347 -0.0013 -0.0032 977 HOH A O 2359 O O . HOH T . ? 0.2092 0.2043 0.2395 0.0139 0.0368 0.0319 978 HOH A O 2360 O O . HOH T . ? 0.3705 0.2648 0.3269 0.0655 -0.0224 -0.0192 979 HOH A O 2361 O O . HOH T . ? 0.2949 0.1737 0.3137 0.0604 -0.0394 0.0691 980 HOH A O 2362 O O . HOH T . ? 0.1912 0.2373 0.2018 -0.0338 -0.0050 0.0218 981 HOH A O 2363 O O . HOH T . ? 0.2552 0.2950 0.2959 -0.0686 -0.0519 -0.0198 982 HOH A O 2364 O O . HOH T . ? 0.2102 0.3145 0.2311 0.0662 -0.0595 -0.0372 983 HOH A O 2365 O O . HOH T . ? 0.2871 0.1971 0.2546 -0.0057 -0.0639 0.0092 984 HOH A O 2366 O O . HOH T . ? 0.3167 0.2343 0.4716 0.0258 0.0188 0.0053 985 HOH A O 2367 O O . HOH T . ? 0.2047 0.2655 0.2195 0.0154 -0.0640 -0.0027 986 HOH A O 2368 O O . HOH T . ? 0.1921 0.3356 0.2209 -0.0034 -0.0389 0.0361 987 HOH A O 2369 O O . HOH T . ? 0.3437 0.3314 0.2010 -0.0459 -0.0320 0.0190 988 HOH A O 2370 O O . HOH T . ? 0.2648 0.2745 0.2681 -0.0029 -0.0064 0.0106 989 HOH A O 2371 O O . HOH T . ? 0.2164 0.2851 0.3118 -0.0387 0.0295 -0.0254 990 HOH A O 2372 O O . HOH T . ? 0.3247 0.2972 0.3409 0.0218 -0.0027 0.0135 991 HOH A O 2373 O O . HOH T . ? 0.2552 0.2140 0.2243 0.0340 -0.0230 -0.0193 992 HOH A O 2374 O O . HOH T . ? 0.2089 0.3633 0.3760 -0.0035 0.0625 0.0234 993 HOH A O 2375 O O . HOH T . ? 0.2703 0.1707 0.2846 -0.0372 -0.0774 0.0764 994 HOH A O 2376 O O . HOH T . ? 0.2697 0.2880 0.3225 0.0541 -0.0078 0.0536 995 HOH A O 2377 O O . HOH T . ? 0.2257 0.3438 0.2665 0.0045 0.0067 0.0233 996 HOH A O 2378 O O . HOH T . ? 0.2727 0.3036 0.3231 0.0554 0.0430 -0.0350 997 HOH A O 2379 O O . HOH T . ? 0.2707 0.2821 0.2779 -0.0388 -0.0347 0.0602 998 HOH A O 2380 O O . HOH T . ? 0.3274 0.2466 0.2827 0.0136 -0.0102 -0.0290 999 HOH A O 2381 O O . HOH T . ? 0.2984 0.3053 0.4006 0.0203 -0.0008 0.0150 1000 HOH A O 2382 O O . HOH T . ? 0.2523 0.2589 0.2729 -0.0300 -0.0083 -0.0161 1001 HOH A O 2383 O O . HOH T . ? 0.2319 0.3818 0.3937 -0.0103 0.0080 0.0024 1002 HOH A O 2384 O O . HOH T . ? 0.3854 0.2282 0.2384 -0.0585 -0.0292 -0.0218 1003 HOH A O 2385 O O . HOH T . ? 0.2211 0.2671 0.3950 -0.0123 -0.0592 -0.0025 1004 HOH A O 2386 O O . HOH T . ? 0.2628 0.3046 0.2073 0.0052 -0.0036 0.0082 1005 HOH A O 2387 O O . HOH T . ? 0.2317 0.3244 0.1565 -0.0390 -0.0115 0.0041 1006 HOH A O 2388 O O . HOH T . ? 0.3328 0.2986 0.3088 -0.0312 -0.0161 0.0109 1007 HOH A O 2389 O O . HOH T . ? 0.3084 0.2894 0.2601 0.0313 0.0141 -0.0256 1008 HOH A O 2390 O O . HOH T . ? 0.3415 0.2210 0.2036 -0.0254 0.0204 0.0315 1009 HOH A O 2391 O O . HOH T . ? 0.3759 0.3824 0.2067 0.0312 0.0568 0.0374 1010 HOH A O 2392 O O . HOH T . ? 0.3447 0.2503 0.1956 0.0113 0.0416 0.0178 1011 HOH A O 2393 O O . HOH T . ? 0.2763 0.3032 0.1706 -0.0214 0.0297 -0.0194 1012 HOH A O 2394 O O . HOH T . ? 0.4434 0.2458 0.3238 -0.0177 -0.0640 -0.0218 1013 HOH A O 2395 O O . HOH T . ? 0.3629 0.2134 0.3491 -0.0027 -0.0388 0.0244 1014 HOH A O 2396 O O . HOH T . ? 0.2416 0.3818 0.3386 0.0461 -0.0682 0.0568 1015 HOH A O 2397 O O . HOH T . ? 0.3420 0.2823 0.2067 -0.0091 0.0055 -0.0460 1016 HOH A O 2398 O O . HOH T . ? 0.2979 0.2170 0.3085 -0.0229 0.0407 -0.0286 1017 HOH A O 2399 O O . HOH T . ? 0.3413 0.3741 0.2835 -0.1230 0.0701 -0.0215 1018 HOH A O 2400 O O . HOH T . ? 0.2840 0.2404 0.3077 0.0102 -0.0145 0.0364 1019 HOH A O 2401 O O . HOH T . ? 0.2074 0.3315 0.3241 -0.0221 -0.0540 0.0500 1020 HOH A O 2402 O O . HOH T . ? 0.4459 0.2850 0.2660 -0.0339 -0.0618 0.0037 1021 HOH A O 2403 O O . HOH T . ? 0.2909 0.2708 0.2601 -0.0202 0.0060 -0.0316 1022 HOH A O 2404 O O . HOH T . ? 0.2516 0.2914 0.3308 -0.0051 0.0265 0.0421 1023 HOH A O 2405 O O . HOH T . ? 0.4034 0.3655 0.3760 -0.0086 0.0000 0.0000 1024 HOH A O 2406 O O . HOH T . ? 0.4066 0.4783 0.4750 0.0340 -0.0334 0.0131 1025 HOH A O 2407 O O . HOH T . ? 0.2398 0.2645 0.2411 -0.0109 0.0146 0.0029 1026 HOH A O 2408 O O . HOH T . ? 0.3165 0.3056 0.3068 0.0375 0.0125 0.0320 1027 HOH A O 2409 O O . HOH T . ? 0.2646 0.2795 0.3548 -0.0167 0.0422 -0.0737 1028 HOH A O 2410 O O . HOH T . ? 0.2925 0.3785 0.2580 -0.0471 -0.0222 0.0812 1029 HOH A O 2411 O O . HOH T . ? 0.3188 0.2661 0.3728 -0.0162 -0.0009 -0.0247 1030 HOH A O 2412 O O . HOH T . ? 0.1836 0.2330 0.4732 0.0106 0.0097 0.0811 1031 HOH A O 2413 O O . HOH T . ? 0.2921 0.2468 0.2738 0.0110 -0.0139 -0.0015 1032 HOH A O 2414 O O . HOH T . ? 0.4103 0.2857 0.3831 -0.0307 -0.0183 -0.0131 1033 HOH A O 2415 O O . HOH T . ? 0.2559 0.3380 0.4077 0.0363 -0.0214 -0.0099 1034 HOH A O 2416 O O . HOH T . ? 0.2583 0.3456 0.3031 0.0050 0.0016 -0.0472 1035 HOH A O 2417 O O . HOH T . ? 0.3151 0.3307 0.2923 -0.0009 0.0253 0.0095 1036 HOH A O 2418 O O . HOH T . ? 0.4407 0.2906 0.3052 0.0470 0.0874 0.0023 1037 HOH A O 2419 O O . HOH T . ? 0.1938 0.3176 0.4968 0.0166 -0.0059 0.0506 1038 HOH A O 2420 O O . HOH T . ? 0.2382 0.3976 0.2223 0.0440 0.0304 -0.0052 1039 HOH A O 2421 O O . HOH T . ? 0.3776 0.2850 0.3341 0.0159 -0.0477 0.0064 1040 HOH A O 2422 O O . HOH T . ? 0.3869 0.3269 0.3483 0.0120 0.0603 0.0147 1041 HOH A O 2423 O O . HOH T . ? 0.2245 0.3800 0.2919 0.0310 -0.0095 -0.0107 1042 HOH A O 2424 O O . HOH T . ? 0.3073 0.2905 0.4424 0.0417 0.0116 0.0054 1043 HOH A O 2425 O O . HOH T . ? 0.4609 0.3446 0.4009 0.0268 -0.0203 0.0754 1044 HOH A O 2426 O O . HOH T . ? 0.2953 0.2508 0.3481 -0.0691 -0.0609 0.0608 1045 HOH A O 2427 O O . HOH T . ? 0.3297 0.3029 0.3606 -0.0067 0.0198 -0.0135 1046 HOH A O 2428 O O . HOH T . ? 0.3733 0.2782 0.3452 0.0242 -0.0435 -0.0253 1047 HOH A O 2429 O O . HOH T . ? 0.3321 0.4560 0.2482 -0.0026 0.0166 0.0396 1048 HOH A O 2430 O O . HOH T . ? 0.3774 0.3487 0.3887 0.0333 0.0353 -0.0129 1049 HOH A O 2431 O O . HOH T . ? 0.3300 0.2284 0.4461 0.0817 -0.0468 0.0507 1050 HOH A O 2432 O O . HOH T . ? 0.2283 0.4349 0.3635 0.0135 -0.0895 -0.0414 1051 HOH A O 2433 O O . HOH T . ? 0.2920 0.2639 0.3518 -0.0169 0.0287 -0.0312 1052 HOH A O 2434 O O . HOH T . ? 0.2953 0.4601 0.2858 0.0666 0.0359 0.0726 1053 HOH A O 2435 O O . HOH T . ? 0.3838 0.3522 0.3681 0.0771 -0.0035 0.0616 1054 HOH A O 2436 O O . HOH T . ? 0.4805 0.3494 0.4621 0.0625 0.0143 -0.0324 1055 HOH A O 2437 O O . HOH T . ? 0.4451 0.4485 0.3694 0.0212 0.0173 -0.0040 1056 HOH A O 2438 O O . HOH T . ? 0.3214 0.4086 0.3033 -0.0087 0.0154 0.0040 1057 HOH A O 2439 O O . HOH T . ? 0.4080 0.4045 0.4946 -0.0705 -0.0026 0.0833 1058 HOH A O 2440 O O . HOH T . ? 0.3067 0.4398 0.3922 0.0289 -0.0154 -0.0249 1059 HOH A O 2441 O O . HOH T . ? 0.4122 0.4121 0.3738 0.0014 -0.0317 -0.0217 1060 HOH A O 2442 O O . HOH T . ? 0.3538 0.2530 0.3436 0.0726 -0.0129 -0.0036 1061 HOH A O 2443 O O . HOH T . ? 0.3347 0.4261 0.3385 0.0144 -0.0194 0.0537 1062 HOH A O 2444 O O . HOH T . ? 0.3326 0.3945 0.2157 0.0071 0.0536 -0.0013 1063 HOH A O 2445 O O . HOH T . ? 0.3971 0.3207 0.4090 -0.0195 -0.0559 -0.0038 1064 HOH A O 2446 O O . HOH T . ? 0.3248 0.3657 0.4031 0.0354 0.0572 0.0858 1065 HOH A O 2447 O O . HOH T . ? 0.4894 0.5439 0.4201 -0.0191 0.0284 0.0161 1066 HOH A O 2448 O O . HOH T . ? 0.5697 0.4047 0.3663 -0.0109 0.0631 0.0432 1067 HOH A O 2449 O O . HOH T . ? 0.2359 0.3694 0.3617 -0.0176 0.0251 -0.0242 1068 HOH A O 2450 O O . HOH T . ? 0.4080 0.3517 0.4640 -0.0473 -0.0359 0.0575 1069 HOH A O 2451 O O . HOH T . ? 0.4454 0.4086 0.3915 0.0272 0.0114 -0.0312 1070 HOH A O 2452 O O . HOH T . ? 0.3830 0.4485 0.3680 0.0072 0.0200 -0.0151 1071 HOH A O 2453 O O . HOH T . ? 0.5136 0.4470 0.4440 -0.0101 0.0137 -0.0084 1072 HOH A O 2454 O O . HOH T . ? 0.3352 0.2515 0.2355 0.0066 -0.0022 0.0072 1073 HOH A O 2455 O O . HOH T . ? 0.3564 0.4570 0.3175 0.0041 -0.0061 0.0757 1074 HOH A O 2456 O O . HOH T . ? 0.3812 0.3586 0.3235 -0.0392 -0.0607 -0.0247 1075 HOH A O 2457 O O . HOH T . ? 0.5205 0.2953 0.4377 -0.0578 0.0289 -0.0361 1076 HOH A O 2458 O O . HOH T . ? 0.2125 0.3996 0.3008 0.0901 0.0201 0.0783 1077 HOH A O 2459 O O . HOH T . ? 0.3747 0.3900 0.4162 0.0282 0.0518 0.0615 1078 HOH A O 2460 O O . HOH T . ? 0.5173 0.4282 0.4536 0.0248 -0.0078 0.0117 1079 HOH A O 2461 O O . HOH T . ? 0.4158 0.4073 0.5134 -0.0294 0.0013 -0.0353 1080 HOH A O 2462 O O . HOH T . ? 0.3350 0.3103 0.6009 0.0477 0.0164 -0.0310 1081 HOH A O 2463 O O . HOH T . ? 0.3216 0.4505 0.3078 -0.0585 -0.0435 0.0016 1082 HOH A O 2464 O O . HOH T . ? 0.3560 0.3394 0.3084 0.0524 -0.0099 0.0270 1083 HOH A O 2465 O O . HOH T . ? 0.3935 0.4234 0.4293 0.0040 -0.0046 -0.0199 1084 HOH A O 2466 O O . HOH T . ? 0.4713 0.2746 0.3391 -0.0300 0.0264 0.0104 1085 HOH A O 2467 O O . HOH T . ? 0.3449 0.2775 0.4176 -0.0188 0.0089 -0.0324 1086 HOH A O 2468 O O . HOH T . ? 0.3734 0.2776 0.3263 -0.0553 0.0059 0.0183 1087 HOH A O 2469 O O . HOH T . ? 0.5544 0.5771 0.5261 -0.0109 -0.0161 -0.0070 1088 HOH A O 2470 O O . HOH T . ? 0.2898 0.2872 0.3508 -0.0042 0.0544 -0.0361 1089 HOH A O 2471 O O . HOH T . ? 0.4179 0.4344 0.3545 -0.0127 0.0000 -0.0039 1090 HOH A O 2472 O O . HOH T . ? 0.4289 0.4720 0.3712 -0.0229 -0.0183 -0.0015 1091 HOH A O 2473 O O . HOH T . ? 0.4106 0.4686 0.5118 0.0056 -0.0380 0.0046 1092 HOH A O 2474 O O . HOH T . ? 0.3712 0.3054 0.3414 0.0386 0.0406 -0.0276 1093 HOH A O 2475 O O . HOH T . ? 0.4512 0.3497 0.2447 0.0208 0.0437 0.0657 1094 HOH A O 2476 O O . HOH T . ? 0.3679 0.3630 0.2407 -0.0371 0.0683 -0.0014 1095 HOH A O 2477 O O . HOH T . ? 0.4861 0.4095 0.3906 0.0402 0.0916 -0.0179 1096 HOH A O 2478 O O . HOH T . ? 0.4914 0.3410 0.5141 0.0677 0.0102 0.0252 1097 HOH A O 2479 O O . HOH T . ? 0.3555 0.3323 0.3930 0.0010 0.0360 -0.0728 1098 HOH A O 2480 O O . HOH T . ? 0.4218 0.5489 0.5126 0.0016 -0.0725 0.0155 1099 HOH A O 2481 O O . HOH T . ? 0.5249 0.3094 0.4132 -0.0270 -0.0090 0.0583 1100 HOH A O 2482 O O . HOH T . ? 0.3038 0.3889 0.3775 -0.0135 0.0147 0.0279 1101 HOH A O 2483 O O . HOH T . ? 0.3512 0.3183 0.3750 0.0250 0.0131 -0.0341 1102 HOH A O 2484 O O . HOH T . ? 0.3920 0.3544 0.3024 0.0381 -0.0030 -0.0297 1103 HOH A O 2485 O O . HOH T . ? 0.2949 0.3728 0.3776 0.0216 -0.0014 0.0284 1104 HOH A O 2486 O O . HOH T . ? 0.3510 0.3941 0.3999 -0.0600 -0.0050 -0.0208 1105 HOH A O 2487 O O . HOH T . ? 0.3430 0.5207 0.2467 -0.0750 0.0142 -0.0371 1106 HOH A O 2488 O O . HOH T . ? 0.4934 0.4675 0.4186 0.0182 -0.0149 -0.0177 1107 HOH A O 2489 O O . HOH T . ? 0.4577 0.4346 0.5041 0.0088 -0.0022 0.0207 1108 HOH A O 2490 O O . HOH T . ? 0.2719 0.3463 0.3911 0.0411 -0.0087 0.0368 1109 HOH A O 2491 O O . HOH T . ? 0.5153 0.4206 0.5821 0.0032 -0.0027 0.0482 1110 HOH A O 2492 O O . HOH T . ? 0.3356 0.4101 0.4000 0.0815 0.0131 -0.0088 1111 HOH A O 2493 O O . HOH T . ? 0.3097 0.2251 0.3687 0.0619 0.0353 0.0407 1112 HOH A O 2494 O O . HOH T . ? 0.5983 0.6265 0.6241 -0.0039 0.0017 0.0087 1113 HOH A O 2495 O O . HOH T . ? 0.3559 0.3019 0.4981 0.0071 -0.0277 -0.0086 1114 HOH A O 2496 O O . HOH T . ? 0.4337 0.3467 0.3611 -0.0272 -0.0228 -0.0157 1115 HOH A O 2497 O O . HOH T . ? 0.3989 0.3467 0.2848 -0.0358 0.0371 0.0183 1116 HOH A O 2498 O O . HOH T . ? 0.4115 0.3815 0.3964 -0.0004 0.0308 0.0447 1117 HOH A O 2499 O O . HOH T . ? 0.3739 0.5149 0.5161 -0.0296 -0.0038 -0.0284 1118 HOH A O 2500 O O . HOH T . ? 0.4076 0.3517 0.3863 0.0072 -0.0411 -0.0926 1119 HOH A O 2501 O O . HOH T . ? 0.3996 0.4353 0.3681 0.0190 0.0126 0.0276 1120 HOH A O 2502 O O . HOH T . ? 0.3584 0.4394 0.3073 0.0328 -0.0389 -0.0009 1121 HOH A O 2503 O O . HOH T . ? 0.3385 0.2980 0.3251 0.0023 -0.0032 0.0411 1122 HOH A O 2504 O O . HOH T . ? 0.3494 0.3949 0.4360 -0.0087 -0.0234 -0.0183 1123 HOH A O 2505 O O . HOH T . ? 0.4731 0.3408 0.4917 -0.0490 -0.0365 0.0495 1124 HOH A O 2506 O O . HOH T . ? 0.4522 0.4523 0.3494 -0.0158 0.0440 -0.0104 1125 HOH A O 2507 O O . HOH T . ? 0.4743 0.2837 0.5029 0.0000 0.0358 0.0096 1126 HOH A O 2508 O O . HOH T . ? 0.3077 0.4163 0.4625 0.0220 -0.0278 -0.0405 1127 HOH A O 2509 O O . HOH T . ? 0.4490 0.4423 0.2368 -0.0673 0.0287 0.0084 1128 HOH A O 2510 O O . HOH T . ? 0.4041 0.4346 0.4716 0.0177 0.0618 0.0227 1129 HOH A O 2511 O O . HOH T . ? 0.5080 0.4830 0.4005 -0.0056 -0.0124 0.0496 1130 HOH A O 2512 O O . HOH T . ? 0.3965 0.3785 0.4051 0.0228 0.0165 -0.0232 1131 HOH A O 2513 O O . HOH T . ? 0.3564 0.4160 0.4772 0.0232 -0.0185 -0.0288 1132 HOH A O 2514 O O . HOH T . ? 0.4212 0.4176 0.4951 0.0298 -0.0199 -0.0184 1133 HOH A O 2515 O O . HOH T . ? 0.3004 0.3752 0.4207 -0.0143 0.0172 0.0148 1134 HOH A O 2516 O O . HOH T . ? 0.4013 0.3509 0.3909 0.0040 -0.0392 -0.0119 1135 HOH A O 2517 O O . HOH T . ? 0.5079 0.4570 0.4222 0.0429 -0.0185 0.0131 1136 HOH A O 2518 O O . HOH T . ? 0.4517 0.4354 0.4125 -0.0178 0.0207 -0.0522 1137 HOH A O 2519 O O . HOH T . ? 0.3423 0.4569 0.2858 -0.0180 -0.0097 0.0823 1138 HOH A O 2520 O O . HOH T . ? 0.4760 0.4976 0.4642 0.0110 -0.0474 -0.0040 1139 HOH A O 2521 O O . HOH T . ? 0.4301 0.4129 0.4844 0.0085 0.0249 0.0085 1140 HOH A O 2522 O O . HOH T . ? 0.4097 0.4180 0.4716 0.0283 0.0330 -0.0221 1141 HOH A O 2523 O O . HOH T . ? 0.3840 0.4180 0.4376 -0.0296 -0.0022 0.0010 1142 HOH A O 2524 O O . HOH T . ? 0.3833 0.3900 0.5255 -0.0729 0.0394 -0.0185 1143 HOH A O 2525 O O . HOH T . ? 0.4520 0.4447 0.3083 -0.0245 -0.0329 0.0295 1144 HOH A O 2526 O O . HOH T . ? 0.4863 0.3668 0.2622 0.0247 0.0508 0.0370 1145 HOH A O 2527 O O . HOH T . ? 0.4228 0.4593 0.4257 -0.0467 0.0129 0.0050 1146 HOH A O 2528 O O . HOH T . ? 0.5119 0.4030 0.4566 0.0405 0.0264 0.0667 1147 HOH A O 2529 O O . HOH T . ? 0.3847 0.4102 0.3523 0.0285 -0.0020 -0.0324 1148 HOH A O 2530 O O . HOH T . ? 0.4315 0.5602 0.5544 -0.0241 0.0142 0.0189 1149 HOH A O 2531 O O . HOH T . ? 0.3566 0.3352 0.3472 -0.0277 -0.0223 -0.0320 1150 HOH A O 2532 O O . HOH T . ? 0.4442 0.5124 0.3179 -0.0466 0.0088 0.0058 1151 HOH A O 2533 O O . HOH T . ? 0.4973 0.4870 0.5183 0.0021 0.0347 0.0435 1152 HOH A O 2534 O O . HOH T . ? 0.4256 0.5005 0.4850 -0.0174 0.0305 0.0378 1153 HOH A O 2535 O O . HOH T . ? 0.4295 0.3912 0.4949 0.0212 -0.0110 -0.0067 1154 HOH A O 2536 O O . HOH T . ? 0.5776 0.4906 0.4790 0.0060 0.0160 0.0045 1155 HOH A O 2537 O O . HOH T . ? 0.4185 0.4455 0.4577 0.0093 -0.0371 -0.0295 1156 HOH A O 2538 O O . HOH T . ? 0.4904 0.4615 0.5126 0.0643 -0.0272 0.0177 1157 HOH A O 2539 O O . HOH T . ? 0.4285 0.4359 0.3670 -0.0453 -0.0381 -0.0824 1158 HOH A O 2540 O O . HOH T . ? 0.4638 0.5284 0.4965 -0.0285 -0.0363 -0.0234 1159 HOH A O 2541 O O . HOH T . ? 0.5091 0.5624 0.4822 -0.0105 -0.0084 -0.0203 1160 HOH A O 2542 O O . HOH T . ? 0.3182 0.4817 0.5390 0.0312 -0.0451 -0.0241 1161 HOH A O 2543 O O . HOH T . ? 0.5306 0.4375 0.4717 -0.0132 -0.0233 0.0404 1162 HOH A O 2544 O O . HOH T . ? 0.4878 0.4111 0.4549 -0.0130 0.0175 -0.0297 1163 HOH A O 2545 O O . HOH T . ? 0.4630 0.4157 0.5254 -0.0206 0.0210 -0.0139 1164 HOH A O 2546 O O . HOH T . ? 0.4963 0.5058 0.4423 0.0065 -0.0248 -0.0227 1165 HOH A O 2547 O O . HOH T . ? 0.4384 0.4293 0.4098 0.0954 0.0549 -0.0080 1166 HOH A O 2548 O O . HOH T . ? 0.4373 0.4422 0.4721 -0.0460 0.0419 0.0051 1167 HOH A O 2549 O O . HOH T . ? 0.3351 0.4187 0.3079 0.0008 0.0044 0.0277 1168 HOH A O 2550 O O . HOH T . ? 0.4910 0.5073 0.4757 0.0090 0.0214 -0.0166 1169 HOH A O 2551 O O . HOH T . ? 0.4118 0.4594 0.3888 0.0197 -0.0070 0.0230 1170 HOH A O 2552 O O . HOH T . ? 0.3918 0.4586 0.5148 0.0280 0.0096 0.0045 1171 HOH A O 2553 O O . HOH T . ? 0.4265 0.5393 0.5620 0.0209 -0.0274 0.0051 1172 HOH A O 2554 O O . HOH T . ? 0.4209 0.3196 0.2135 -0.0093 -0.0837 -0.0186 1173 HOH A O 2555 O O . HOH T . ? 0.5356 0.4664 0.5092 0.0061 -0.0165 0.0074 1174 HOH A O 2556 O O . HOH T . ? 0.6101 0.5370 0.5245 -0.0143 0.0067 0.0029 1175 HOH A O 2557 O O . HOH T . ? 0.3876 0.3545 0.4171 0.0876 -0.0321 0.0538 1176 HOH A O 2558 O O . HOH T . ? 0.5285 0.4840 0.5619 -0.0260 0.0209 0.0396 1177 HOH A O 2559 O O . HOH T . ? 0.6159 0.6238 0.6154 -0.0190 0.0037 -0.0356 1178 HOH A O 2560 O O . HOH T . ? 0.4625 0.3415 0.3906 -0.0007 -0.0636 0.0656 1179 HOH A O 2561 O O . HOH T . ? 0.4897 0.4157 0.5101 0.0049 -0.0108 0.0028 1180 HOH A O 2562 O O . HOH T . ? 0.5762 0.5172 0.5166 0.0134 -0.0199 0.0460 1181 HOH A O 2563 O O . HOH T . ? 0.5799 0.5525 0.6216 0.0054 0.0043 0.0087 1182 HOH A O 2564 O O . HOH T . ? 0.5289 0.2998 0.4460 0.0232 -0.0071 0.0097 1183 HOH A O 2565 O O . HOH T . ? 0.4662 0.5418 0.4913 0.0231 0.0023 -0.0097 1184 HOH A O 2566 O O . HOH T . ? 0.4786 0.5253 0.3632 0.0341 0.0622 -0.0001 1185 HOH A O 2567 O O . HOH T . ? 0.5683 0.5058 0.4730 -0.0329 0.0622 0.0212 1186 HOH A O 2568 O O . HOH T . ? 0.3563 0.4730 0.4003 -0.0376 -0.0314 -0.0218 1187 HOH A O 2569 O O . HOH T . ? 0.4613 0.4063 0.5262 0.0542 -0.0056 -0.0267 1188 HOH A O 2570 O O . HOH T . ? 0.4855 0.5592 0.5260 0.0167 -0.0177 -0.0190 1189 HOH A O 2571 O O . HOH T . ? 0.4400 0.5140 0.5762 -0.0139 0.0221 0.0099 1190 HOH A O 2572 O O . HOH T . ? 0.4190 0.4040 0.3955 0.0159 -0.0022 0.0061 1191 HOH A O 2573 O O . HOH T . ? 0.4366 0.4493 0.5427 0.0409 0.0115 0.0234 1192 HOH A O 2574 O O . HOH T . ? 0.3996 0.3709 0.3939 -0.0223 0.0127 -0.0014 1193 HOH A O 2575 O O . HOH T . ? 0.4460 0.4860 0.5224 0.0490 -0.0120 0.0112 1194 HOH A O 2576 O O . HOH T . ? 0.4026 0.4346 0.4392 0.0556 -0.0313 -0.0281 1195 HOH A O 2577 O O . HOH T . ? 0.6691 0.6424 0.6313 -0.0051 -0.0112 0.0069 1196 HOH A O 2578 O O . HOH T . ? 0.5287 0.5290 0.4225 0.0006 0.0326 -0.0353 1197 HOH A O 2579 O O . HOH T . ? 0.4152 0.3707 0.2964 -0.0355 0.0062 0.0061 1198 HOH A O 2580 O O . HOH T . ? 0.3190 0.4740 0.4542 0.0170 -0.0485 -0.0087 1199 HOH A O 2581 O O . HOH T . ? 0.4825 0.5066 0.4097 0.0368 0.0278 0.0389 1200 HOH A O 2582 O O . HOH T . ? 0.5724 0.6260 0.5212 -0.0102 0.0262 0.0149 1201 HOH A O 2583 O O . HOH T . ? 0.3718 0.5768 0.4956 0.0416 -0.0074 -0.0053 1202 HOH A O 2584 O O . HOH T . ? 0.5229 0.4615 0.3564 -0.0063 -0.0038 0.0134 1203 HOH A O 2585 O O . HOH T . ? 0.4689 0.4611 0.5599 0.0628 0.0144 -0.0126 1204 HOH A O 2586 O O . HOH T . ? 0.4354 0.4555 0.4717 0.0473 -0.0100 -0.0180 1205 HOH A O 2587 O O . HOH T . ? 0.5922 0.4689 0.5833 0.0261 0.0013 0.0048 1206 HOH A O 2588 O O . HOH T . ? 0.4835 0.4087 0.4891 -0.0299 -0.0280 -0.0380 1207 HOH A O 2589 O O . HOH T . ? 0.5474 0.5473 0.5964 0.0141 -0.0015 -0.0281 1208 HOH A O 2590 O O . HOH T . ? 0.3381 0.3542 0.3649 0.0101 -0.0333 0.0000 1209 HOH A O 2591 O O . HOH T . ? 0.3895 0.4336 0.4308 -0.0006 -0.0163 -0.0459 1210 HOH A O 2592 O O . HOH T . ? 0.3909 0.3412 0.3667 -0.0084 -0.0486 0.0116 1211 HOH A O 2593 O O . HOH T . ? 0.5017 0.4717 0.4750 -0.0091 0.0308 0.0030 1212 HOH A O 2594 O O . HOH T . ? 0.4280 0.4943 0.5247 0.0402 0.0069 -0.0330 1213 HOH A O 2595 O O . HOH T . ? 0.5114 0.5764 0.5926 -0.0226 -0.0039 0.0060 1214 HOH A O 2596 O O . HOH T . ? 0.5135 0.4433 0.4979 0.0431 0.0403 0.0328 1215 HOH A O 2597 O O . HOH T . ? 0.3527 0.4845 0.5174 -0.0842 -0.0075 -0.0191 1216 HOH A O 2598 O O . HOH T . ? 0.4523 0.5018 0.4344 -0.0167 -0.0004 -0.0017 1217 HOH A O 2599 O O . HOH T . ? 0.4460 0.4893 0.3870 0.0242 0.0079 -0.0337 1218 HOH A O 2600 O O . HOH T . ? 0.3549 0.4425 0.4458 0.0277 0.0386 -0.0243 1219 HOH A O 2601 O O . HOH T . ? 0.5870 0.5207 0.5345 -0.0294 0.0318 0.0083 1220 HOH A O 2602 O O . HOH T . ? 0.3975 0.4905 0.5933 -0.0224 -0.0048 0.0514 1221 HOH A O 2603 O O . HOH T . ? 0.5516 0.4458 0.4396 0.0658 0.0151 -0.0226 1222 HOH A O 2604 O O . HOH T . ? 0.4626 0.3410 0.3168 -0.0290 0.0195 -0.0115 1223 HOH A O 2605 O O . HOH T . ? 0.4782 0.3945 0.5329 -0.0361 0.0336 -0.0110 1224 HOH A O 2606 O O . HOH T . ? 0.5653 0.4161 0.4382 0.0034 -0.0184 -0.0470 1225 HOH A O 2607 O O . HOH T . ? 0.5762 0.6548 0.6407 0.0001 -0.0228 -0.0172 1226 HOH A O 2608 O O . HOH T . ? 0.5120 0.4969 0.5017 0.0504 -0.0147 -0.0412 1227 HOH A O 2609 O O . HOH T . ? 0.5881 0.5349 0.4620 -0.0108 0.0258 0.0406 1228 HOH A O 2610 O O . HOH T . ? 0.5697 0.5748 0.5229 0.0026 0.0420 -0.0460 1229 HOH A O 2611 O O . HOH T . ? 0.4862 0.4478 0.5581 -0.0112 0.0044 0.0036 1230 HOH A O 2612 O O . HOH T . ? 0.6141 0.4982 0.5762 0.0248 0.0015 -0.0014 1231 HOH A O 2613 O O . HOH T . ? 0.5276 0.4275 0.5185 -0.0092 0.0031 -0.0149 1232 HOH A O 2614 O O . HOH T . ? 0.4773 0.4420 0.4665 0.0019 0.0151 0.0006 1233 HOH A O 2615 O O . HOH T . ? 0.4880 0.5350 0.4983 0.0050 0.0027 0.0067 1234 HOH A O 2616 O O . HOH T . ? 0.5067 0.4246 0.5299 -0.0586 -0.0138 -0.0160 1235 HOH A O 2617 O O . HOH T . ? 0.5078 0.5047 0.4827 0.0127 0.0130 -0.0168 1236 HOH A O 2618 O O . HOH T . ? 0.5271 0.5112 0.4857 -0.0204 -0.0008 0.0300 1237 HOH A O 2619 O O . HOH T . ? 0.5195 0.5272 0.5011 -0.0130 0.0124 -0.0106 1238 HOH A O 2620 O O . HOH T . ? 0.3702 0.4254 0.3862 0.0208 -0.0222 -0.0195 1239 HOH A O 2621 O O . HOH T . ? 0.5708 0.5434 0.5296 0.0000 0.0018 0.0000 1240 HOH A O 2622 O O . HOH T . ? 0.5925 0.6185 0.5484 0.0176 -0.0163 0.0146 1241 HOH A O 2623 O O . HOH T . ? 0.5816 0.6196 0.5499 0.0125 0.0060 -0.0161 1242 HOH A O 2624 O O . HOH T . ? 0.4671 0.5169 0.5262 -0.0082 0.0132 0.0110 1243 HOH A O 2625 O O . HOH T . ? 0.6843 0.6726 0.6622 0.0057 -0.0007 -0.0027 1244 HOH A O 2626 O O . HOH T . ? 0.4820 0.3754 0.3926 -0.0166 -0.0043 0.0193 1245 HOH A O 2627 O O . HOH T . ? 0.4080 0.3297 0.2825 -0.0028 0.0156 -0.0231 1246 HOH A O 2628 O O . HOH T . ? 0.5698 0.6926 0.6621 0.0108 -0.0226 0.0064 1247 HOH A O 2629 O O . HOH T . ? 0.4196 0.5194 0.4113 -0.0359 0.0607 -0.0100 1248 HOH A O 2630 O O . HOH T . ? 0.4880 0.5346 0.4671 0.0282 -0.0149 -0.0011 1249 HOH A O 2631 O O . HOH T . ? 0.3330 0.4142 0.3758 -0.0441 -0.0171 -0.0020 1250 HOH A O 2632 O O . HOH T . ? 0.3120 0.5585 0.4703 -0.0333 -0.0286 0.0495 1251 HOH A O 2633 O O . HOH T . ? 0.6298 0.6656 0.6088 0.0172 -0.0124 0.0097 1252 HOH A O 2634 O O . HOH T . ? 0.4762 0.5061 0.4539 0.0439 0.0153 0.0318 1253 HOH A O 2635 O O . HOH T . ? 0.5035 0.5471 0.5464 -0.0085 -0.0094 -0.0285 1254 HOH A O 2636 O O . HOH T . ? 0.4126 0.5121 0.4739 -0.0233 0.0166 -0.0059 1255 HOH A O 2637 O O B HOH T . ? 0.1147 0.0898 0.0874 -0.0104 -0.0139 0.0197 1256 HOH A O 2638 O O . HOH T . ? 0.4228 0.4363 0.5190 0.0398 0.0207 -0.0341 1257 HOH A O 2639 O O . HOH T . ? 0.5026 0.5653 0.3334 -0.0050 -0.0034 0.0035 1258 HOH A O 2640 O O . HOH T . ? 0.6885 0.6740 0.6729 -0.0189 0.0159 0.0070 1259 HOH A O 2641 O O . HOH T . ? 0.4753 0.5637 0.5458 0.0503 0.0219 -0.0030 1260 HOH A O 2642 O O . HOH T . ? 0.5244 0.5740 0.4616 0.0059 -0.0338 -0.0292 1261 HOH A O 2643 O O . HOH T . ? 0.5433 0.5359 0.5017 -0.0003 0.0061 -0.0039 1262 HOH A O 2644 O O . HOH T . ? 0.5280 0.4192 0.5018 0.0561 -0.0445 0.0384 1263 HOH A O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 1 1 THR THR A . n A 1 2 SER 2 2 2 SER SER A . n A 1 3 PHE 3 3 3 PHE PHE A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 ASN 6 6 6 ASN ASN A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 GLY 9 9 9 GLY GLY A . n A 1 10 ARG 10 10 10 ARG ARG A . n A 1 11 ASP 11 11 11 ASP ASP A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 CYS 14 14 14 CYS CYS A . n A 1 15 VAL 15 15 15 VAL VAL A . n A 1 16 ASP 16 16 16 ASP ASP A . n A 1 17 VAL 17 17 17 VAL VAL A . n A 1 18 ARG 18 18 18 ARG ARG A . n A 1 19 ASN 19 19 19 ASN ASN A . n A 1 20 GLY 20 20 20 GLY GLY A . n A 1 21 TYR 21 21 21 TYR TYR A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 THR 23 23 23 THR THR A . n A 1 24 ASP 24 24 24 ASP ASP A . n A 1 25 GLY 25 25 25 GLY GLY A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 PRO 27 27 27 PRO PRO A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 GLN 29 29 29 GLN GLN A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 PRO 32 32 32 PRO PRO A . n A 1 33 CYS 33 33 33 CYS CYS A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 ARG 37 37 37 ARG ARG A . n A 1 38 ASN 38 38 38 ASN ASN A . n A 1 39 GLN 39 39 39 GLN GLN A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 TRP 41 41 41 TRP TRP A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 PHE 43 43 43 PHE PHE A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 SER 45 45 45 SER SER A . n A 1 46 ASP 46 46 46 ASP ASP A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 THR 48 48 48 THR THR A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 MET 52 52 52 MET MET A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 LYS 54 54 54 LYS LYS A . n A 1 55 CYS 55 55 55 CYS CYS A . n A 1 56 MET 56 56 56 MET MET A . n A 1 57 THR 57 57 57 THR THR A . n A 1 58 ALA 58 58 58 ALA ALA A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 LEU 61 61 61 LEU LEU A . n A 1 62 ASN 62 62 62 ASN ASN A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 SER 65 65 65 SER SER A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 ILE 69 69 69 ILE ILE A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 ASN 71 71 71 ASN ASN A . n A 1 72 CYS 72 72 72 CYS CYS A . n A 1 73 SER 73 73 73 SER SER A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 ASN 78 78 78 ASN ASN A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 ILE 80 80 80 ILE ILE A . n A 1 81 LYS 81 81 81 LYS LYS A . n A 1 82 TRP 82 82 82 TRP TRP A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 VAL 84 84 84 VAL VAL A . n A 1 85 PRO 85 85 85 PRO PRO A . n A 1 86 ILE 86 86 86 ILE ILE A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 ILE 90 90 90 ILE ILE A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 ASN 92 92 92 ASN ASN A . n A 1 93 PRO 93 93 93 PRO PRO A . n A 1 94 SER 94 94 94 SER SER A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 VAL 98 98 98 VAL VAL A . n A 1 99 MET 99 99 99 MET MET A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 ALA 101 101 101 ALA ALA A . n A 1 102 PRO 102 102 102 PRO PRO A . n A 1 103 ARG 103 103 103 ARG ARG A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 SER 106 106 106 SER SER A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 ILE 109 109 109 ILE ILE A . n A 1 110 LEU 110 110 110 LEU LEU A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 ASP 114 114 114 ASP ASP A . n A 1 115 ASN 115 115 115 ASN ASN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 TYR 117 117 117 TYR TYR A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 TRP 123 123 123 TRP TRP A . n A 1 124 THR 124 124 124 THR THR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 THR 126 126 126 THR THR A . n A 1 127 ASN 127 127 127 ASN ASN A . n A 1 128 ASN 128 128 128 ASN ASN A . n A 1 129 VAL 129 129 129 VAL VAL A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 PRO 131 131 131 PRO PRO A . n A 1 132 ILE 132 132 132 ILE ILE A . n A 1 133 VAL 133 133 133 VAL VAL A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 SER 135 135 135 SER SER A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 VAL 137 137 137 VAL VAL A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 TYR 139 139 139 TYR TYR A . n A 1 140 LYS 140 140 140 LYS LYS A . n A 1 141 GLU 141 141 141 GLU GLU A . n A 1 142 MET 142 142 142 MET MET A . n A 1 143 CYS 143 143 143 CYS CYS A . n A 1 144 LEU 144 144 144 LEU LEU A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 SER 146 146 146 SER SER A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 GLY 148 148 148 GLY GLY A . n A 1 149 GLU 149 149 149 GLU GLU A . n A 1 150 ASN 150 150 150 ASN ASN A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 TRP 154 154 154 TRP TRP A . n A 1 155 MET 155 155 155 MET MET A . n A 1 156 GLU 156 156 156 GLU GLU A . n A 1 157 ASP 157 157 157 ASP ASP A . n A 1 158 CYS 158 158 158 CYS CYS A . n A 1 159 GLU 159 159 159 GLU GLU A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 THR 161 161 161 THR THR A . n A 1 162 SER 162 162 162 SER SER A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 GLN 164 164 164 GLN GLN A . n A 1 165 GLN 165 165 165 GLN GLN A . n A 1 166 GLN 166 166 166 GLN GLN A . n A 1 167 TRP 167 167 167 TRP TRP A . n A 1 168 ALA 168 168 168 ALA ALA A . n A 1 169 LEU 169 169 169 LEU LEU A . n A 1 170 TYR 170 170 170 TYR TYR A . n A 1 171 GLY 171 171 171 GLY GLY A . n A 1 172 ASP 172 172 172 ASP ASP A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 THR 174 174 174 THR THR A . n A 1 175 ILE 175 175 175 ILE ILE A . n A 1 176 ARG 176 176 176 ARG ARG A . n A 1 177 VAL 177 177 177 VAL VAL A . n A 1 178 ASN 178 178 178 ASN ASN A . n A 1 179 SER 179 179 179 SER SER A . n A 1 180 THR 180 180 180 THR THR A . n A 1 181 ARG 181 181 181 ARG ARG A . n A 1 182 GLY 182 182 182 GLY GLY A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 CYS 184 184 184 CYS CYS A . n A 1 185 VAL 185 185 185 VAL VAL A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 THR 187 187 187 THR THR A . n A 1 188 ASN 188 188 188 ASN ASN A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 ASN 191 191 191 ASN ASN A . n A 1 192 SER 192 192 192 SER SER A . n A 1 193 LYS 193 193 193 LYS LYS A . n A 1 194 ASP 194 194 194 ASP ASP A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 ILE 196 196 196 ILE ILE A . n A 1 197 ILE 197 197 197 ILE ILE A . n A 1 198 ILE 198 198 198 ILE ILE A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 LYS 200 200 200 LYS LYS A . n A 1 201 CYS 201 201 201 CYS CYS A . n A 1 202 GLN 202 202 202 GLN GLN A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 LEU 204 204 204 LEU LEU A . n A 1 205 PRO 205 205 205 PRO PRO A . n A 1 206 SER 206 206 206 SER SER A . n A 1 207 GLN 207 207 207 GLN GLN A . n A 1 208 ARG 208 208 208 ARG ARG A . n A 1 209 TRP 209 209 209 TRP TRP A . n A 1 210 PHE 210 210 210 PHE PHE A . n A 1 211 PHE 211 211 211 PHE PHE A . n A 1 212 ASN 212 212 212 ASN ASN A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 ASP 214 214 214 ASP ASP A . n A 1 215 GLY 215 215 215 GLY GLY A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ILE 217 217 217 ILE ILE A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 ASN 219 219 219 ASN ASN A . n A 1 220 PRO 220 220 220 PRO PRO A . n A 1 221 LYS 221 221 221 LYS LYS A . n A 1 222 SER 222 222 222 SER SER A . n A 1 223 ARG 223 223 223 ARG ARG A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 VAL 225 225 225 VAL VAL A . n A 1 226 MET 226 226 226 MET MET A . n A 1 227 ASP 227 227 227 ASP ASP A . n A 1 228 VAL 228 228 228 VAL VAL A . n A 1 229 ARG 229 229 229 ARG ARG A . n A 1 230 ALA 230 230 230 ALA ALA A . n A 1 231 SER 231 231 231 SER SER A . n A 1 232 ASN 232 232 232 ASN ASN A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 SER 234 234 234 SER SER A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ARG 236 236 236 ARG ARG A . n A 1 237 GLU 237 237 237 GLU GLU A . n A 1 238 ILE 238 238 238 ILE ILE A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 ILE 240 240 240 ILE ILE A . n A 1 241 PHE 241 241 241 PHE PHE A . n A 1 242 PRO 242 242 242 PRO PRO A . n A 1 243 ALA 243 243 243 ALA ALA A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 GLY 245 245 245 GLY GLY A . n A 1 246 ASN 246 246 246 ASN ASN A . n A 1 247 PRO 247 247 247 PRO PRO A . n A 1 248 ASN 248 248 248 ASN ASN A . n A 1 249 GLN 249 249 249 GLN GLN A . n A 1 250 GLN 250 250 250 GLN GLN A . n A 1 251 TRP 251 251 251 TRP TRP A . n A 1 252 VAL 252 252 252 VAL VAL A . n A 1 253 THR 253 253 253 THR THR A . n A 1 254 GLN 254 254 254 GLN GLN A . n A 1 255 VAL 255 255 255 VAL VAL A . n A 1 256 LEU 256 256 256 LEU LEU A . n A 1 257 PRO 257 257 257 PRO PRO A . n A 1 258 SER 258 258 ? ? ? A . 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 1 258 1 NAG NAG A . C 2 NAG 2 259 2 NAG NAG A . D 3 FUC 3 260 5 FUC FUC A . E 2 NAG 1 261 11 NAG NAG A . F 2 NAG 2 262 12 NAG NAG A . G 3 FUC 3 263 15 FUC FUC A . H 2 NAG 1 264 21 NAG NAG A . I 2 NAG 2 265 22 NAG NAG A . J 2 NAG 1 266 31 NAG NAG A . K 4 LAT 1 267 1 LAT LAT A . L 4 LAT 1 268 2 LAT LAT A . M 5 SO4 1 901 901 SO4 SO4 A . N 5 SO4 1 902 902 SO4 SO4 A . O 5 SO4 1 903 903 SO4 SO4 A . P 5 SO4 1 904 904 SO4 SO4 A . Q 5 SO4 1 905 905 SO4 SO4 A . R 5 SO4 1 906 906 SO4 SO4 A . S 6 ACT 1 910 910 ACT ACT A . T 7 HOH 1 911 1 HOH HOH A . T 7 HOH 2 912 2 HOH HOH A . T 7 HOH 3 913 3 HOH HOH A . T 7 HOH 4 914 4 HOH HOH A . T 7 HOH 5 915 5 HOH HOH A . T 7 HOH 6 916 6 HOH HOH A . T 7 HOH 7 917 7 HOH HOH A . T 7 HOH 8 918 8 HOH HOH A . T 7 HOH 9 919 9 HOH HOH A . T 7 HOH 10 920 10 HOH HOH A . T 7 HOH 11 921 11 HOH HOH A . T 7 HOH 12 922 12 HOH HOH A . T 7 HOH 13 923 13 HOH HOH A . T 7 HOH 14 924 14 HOH HOH A . T 7 HOH 15 925 15 HOH HOH A . T 7 HOH 16 926 16 HOH HOH A . T 7 HOH 17 927 17 HOH HOH A . T 7 HOH 18 928 18 HOH HOH A . T 7 HOH 19 929 19 HOH HOH A . T 7 HOH 20 930 20 HOH HOH A . T 7 HOH 21 931 21 HOH HOH A . T 7 HOH 22 932 22 HOH HOH A . T 7 HOH 23 933 23 HOH HOH A . T 7 HOH 24 934 24 HOH HOH A . T 7 HOH 25 935 25 HOH HOH A . T 7 HOH 26 936 26 HOH HOH A . T 7 HOH 27 937 27 HOH HOH A . T 7 HOH 28 938 28 HOH HOH A . T 7 HOH 29 939 29 HOH HOH A . T 7 HOH 30 940 30 HOH HOH A . T 7 HOH 31 941 31 HOH HOH A . T 7 HOH 32 942 32 HOH HOH A . T 7 HOH 33 943 33 HOH HOH A . T 7 HOH 34 944 34 HOH HOH A . T 7 HOH 35 945 35 HOH HOH A . T 7 HOH 36 946 36 HOH HOH A . T 7 HOH 37 947 37 HOH HOH A . T 7 HOH 38 948 38 HOH HOH A . T 7 HOH 39 949 39 HOH HOH A . T 7 HOH 40 950 40 HOH HOH A . T 7 HOH 41 951 41 HOH HOH A . T 7 HOH 42 952 42 HOH HOH A . T 7 HOH 43 953 43 HOH HOH A . T 7 HOH 44 954 44 HOH HOH A . T 7 HOH 45 955 45 HOH HOH A . T 7 HOH 46 956 46 HOH HOH A . T 7 HOH 47 957 47 HOH HOH A . T 7 HOH 48 958 48 HOH HOH A . T 7 HOH 49 959 49 HOH HOH A . T 7 HOH 50 960 50 HOH HOH A . T 7 HOH 51 961 51 HOH HOH A . T 7 HOH 52 962 52 HOH HOH A . T 7 HOH 53 963 53 HOH HOH A . T 7 HOH 54 964 54 HOH HOH A . T 7 HOH 55 965 55 HOH HOH A . T 7 HOH 56 966 56 HOH HOH A . T 7 HOH 57 967 57 HOH HOH A . T 7 HOH 58 968 58 HOH HOH A . T 7 HOH 59 969 59 HOH HOH A . T 7 HOH 60 970 60 HOH HOH A . T 7 HOH 61 971 61 HOH HOH A . T 7 HOH 62 972 62 HOH HOH A . T 7 HOH 63 973 63 HOH HOH A . T 7 HOH 64 974 64 HOH HOH A . T 7 HOH 65 975 65 HOH HOH A . T 7 HOH 66 976 66 HOH HOH A . T 7 HOH 67 977 67 HOH HOH A . T 7 HOH 68 978 68 HOH HOH A . T 7 HOH 69 979 69 HOH HOH A . T 7 HOH 70 980 70 HOH HOH A . T 7 HOH 71 981 71 HOH HOH A . T 7 HOH 72 982 72 HOH HOH A . T 7 HOH 73 983 73 HOH HOH A . T 7 HOH 74 984 74 HOH HOH A . T 7 HOH 75 985 75 HOH HOH A . T 7 HOH 76 986 76 HOH HOH A . T 7 HOH 77 987 77 HOH HOH A . T 7 HOH 78 988 78 HOH HOH A . T 7 HOH 79 989 79 HOH HOH A . T 7 HOH 80 990 80 HOH HOH A . T 7 HOH 81 991 81 HOH HOH A . T 7 HOH 82 992 82 HOH HOH A . T 7 HOH 83 993 83 HOH HOH A . T 7 HOH 84 994 84 HOH HOH A . T 7 HOH 85 995 85 HOH HOH A . T 7 HOH 86 996 86 HOH HOH A . T 7 HOH 87 997 87 HOH HOH A . T 7 HOH 88 998 88 HOH HOH A . T 7 HOH 89 999 89 HOH HOH A . T 7 HOH 90 1000 90 HOH HOH A . T 7 HOH 91 1001 91 HOH HOH A . T 7 HOH 92 1002 92 HOH HOH A . T 7 HOH 93 1003 93 HOH HOH A . T 7 HOH 94 1004 94 HOH HOH A . T 7 HOH 95 1005 95 HOH HOH A . T 7 HOH 96 1006 96 HOH HOH A . T 7 HOH 97 1007 97 HOH HOH A . T 7 HOH 98 1008 98 HOH HOH A . T 7 HOH 99 1009 99 HOH HOH A . T 7 HOH 100 1010 100 HOH HOH A . T 7 HOH 101 1011 101 HOH HOH A . T 7 HOH 102 1012 102 HOH HOH A . T 7 HOH 103 1013 103 HOH HOH A . T 7 HOH 104 1014 104 HOH HOH A . T 7 HOH 105 1015 105 HOH HOH A . T 7 HOH 106 1016 106 HOH HOH A . T 7 HOH 107 1017 107 HOH HOH A . T 7 HOH 108 1018 108 HOH HOH A . T 7 HOH 109 1019 109 HOH HOH A . T 7 HOH 110 1020 110 HOH HOH A . T 7 HOH 111 1021 111 HOH HOH A . T 7 HOH 112 1022 112 HOH HOH A . T 7 HOH 113 1023 113 HOH HOH A . T 7 HOH 114 1024 114 HOH HOH A . T 7 HOH 115 1025 115 HOH HOH A . T 7 HOH 116 1026 116 HOH HOH A . T 7 HOH 117 1027 117 HOH HOH A . T 7 HOH 118 1028 118 HOH HOH A . T 7 HOH 119 1029 119 HOH HOH A . T 7 HOH 120 1030 120 HOH HOH A . T 7 HOH 121 1031 121 HOH HOH A . T 7 HOH 122 1032 122 HOH HOH A . T 7 HOH 123 1033 123 HOH HOH A . T 7 HOH 124 1034 124 HOH HOH A . T 7 HOH 125 1035 125 HOH HOH A . T 7 HOH 126 1036 126 HOH HOH A . T 7 HOH 127 1037 127 HOH HOH A . T 7 HOH 128 1038 128 HOH HOH A . T 7 HOH 129 1039 129 HOH HOH A . T 7 HOH 130 1040 130 HOH HOH A . T 7 HOH 131 1041 131 HOH HOH A . T 7 HOH 132 1042 132 HOH HOH A . T 7 HOH 133 1043 133 HOH HOH A . T 7 HOH 134 1044 134 HOH HOH A . T 7 HOH 135 1045 135 HOH HOH A . T 7 HOH 136 1046 136 HOH HOH A . T 7 HOH 137 1047 137 HOH HOH A . T 7 HOH 138 1048 138 HOH HOH A . T 7 HOH 139 1049 139 HOH HOH A . T 7 HOH 140 1050 140 HOH HOH A . T 7 HOH 141 1051 141 HOH HOH A . T 7 HOH 142 1052 142 HOH HOH A . T 7 HOH 143 1053 143 HOH HOH A . T 7 HOH 144 1054 144 HOH HOH A . T 7 HOH 145 1055 145 HOH HOH A . T 7 HOH 146 1056 146 HOH HOH A . T 7 HOH 147 1057 147 HOH HOH A . T 7 HOH 148 1058 148 HOH HOH A . T 7 HOH 149 1059 149 HOH HOH A . T 7 HOH 150 1060 150 HOH HOH A . T 7 HOH 151 1061 151 HOH HOH A . T 7 HOH 152 1062 152 HOH HOH A . T 7 HOH 153 1063 153 HOH HOH A . T 7 HOH 154 1064 154 HOH HOH A . T 7 HOH 155 1065 155 HOH HOH A . T 7 HOH 156 1066 156 HOH HOH A . T 7 HOH 157 1067 157 HOH HOH A . T 7 HOH 158 1068 158 HOH HOH A . T 7 HOH 159 1069 159 HOH HOH A . T 7 HOH 160 1070 160 HOH HOH A . T 7 HOH 161 1071 161 HOH HOH A . T 7 HOH 162 1072 162 HOH HOH A . T 7 HOH 163 1073 163 HOH HOH A . T 7 HOH 164 1074 164 HOH HOH A . T 7 HOH 165 1075 165 HOH HOH A . T 7 HOH 166 1076 166 HOH HOH A . T 7 HOH 167 1077 167 HOH HOH A . T 7 HOH 168 1078 168 HOH HOH A . T 7 HOH 169 1079 169 HOH HOH A . T 7 HOH 170 1080 170 HOH HOH A . T 7 HOH 171 1081 171 HOH HOH A . T 7 HOH 172 1082 172 HOH HOH A . T 7 HOH 173 1083 173 HOH HOH A . T 7 HOH 174 1084 174 HOH HOH A . T 7 HOH 175 1085 175 HOH HOH A . T 7 HOH 176 1086 176 HOH HOH A . T 7 HOH 177 1087 177 HOH HOH A . T 7 HOH 178 1088 178 HOH HOH A . T 7 HOH 179 1089 179 HOH HOH A . T 7 HOH 180 1090 180 HOH HOH A . T 7 HOH 181 1091 181 HOH HOH A . T 7 HOH 182 1092 182 HOH HOH A . T 7 HOH 183 1093 183 HOH HOH A . T 7 HOH 184 1094 184 HOH HOH A . T 7 HOH 185 1095 185 HOH HOH A . T 7 HOH 186 1096 186 HOH HOH A . T 7 HOH 187 1097 187 HOH HOH A . T 7 HOH 188 1098 188 HOH HOH A . T 7 HOH 189 1099 189 HOH HOH A . T 7 HOH 190 1100 190 HOH HOH A . T 7 HOH 191 1101 191 HOH HOH A . T 7 HOH 192 1102 192 HOH HOH A . T 7 HOH 193 1103 193 HOH HOH A . T 7 HOH 194 1104 194 HOH HOH A . T 7 HOH 195 1105 195 HOH HOH A . T 7 HOH 196 1106 196 HOH HOH A . T 7 HOH 197 1107 197 HOH HOH A . T 7 HOH 198 1108 198 HOH HOH A . T 7 HOH 199 1109 199 HOH HOH A . T 7 HOH 200 1110 200 HOH HOH A . T 7 HOH 201 1111 201 HOH HOH A . T 7 HOH 202 1112 202 HOH HOH A . T 7 HOH 203 1113 203 HOH HOH A . T 7 HOH 204 1114 204 HOH HOH A . T 7 HOH 205 1115 205 HOH HOH A . T 7 HOH 206 1116 206 HOH HOH A . T 7 HOH 207 1117 207 HOH HOH A . T 7 HOH 208 1118 208 HOH HOH A . T 7 HOH 209 1119 209 HOH HOH A . T 7 HOH 210 1120 210 HOH HOH A . T 7 HOH 211 1121 211 HOH HOH A . T 7 HOH 212 1122 212 HOH HOH A . T 7 HOH 213 1123 213 HOH HOH A . T 7 HOH 214 1124 214 HOH HOH A . T 7 HOH 215 1125 215 HOH HOH A . T 7 HOH 216 1126 216 HOH HOH A . T 7 HOH 217 1127 217 HOH HOH A . T 7 HOH 218 1128 218 HOH HOH A . T 7 HOH 219 1129 219 HOH HOH A . T 7 HOH 220 1130 220 HOH HOH A . T 7 HOH 221 1131 221 HOH HOH A . T 7 HOH 222 1132 222 HOH HOH A . T 7 HOH 223 1133 223 HOH HOH A . T 7 HOH 224 1134 224 HOH HOH A . T 7 HOH 225 1135 225 HOH HOH A . T 7 HOH 226 1136 226 HOH HOH A . T 7 HOH 227 1137 227 HOH HOH A . T 7 HOH 228 1138 228 HOH HOH A . T 7 HOH 229 1139 229 HOH HOH A . T 7 HOH 230 1140 230 HOH HOH A . T 7 HOH 231 1141 231 HOH HOH A . T 7 HOH 232 1142 232 HOH HOH A . T 7 HOH 233 1143 233 HOH HOH A . T 7 HOH 234 1144 234 HOH HOH A . T 7 HOH 235 1145 235 HOH HOH A . T 7 HOH 236 1146 236 HOH HOH A . T 7 HOH 237 1147 237 HOH HOH A . T 7 HOH 238 1148 238 HOH HOH A . T 7 HOH 239 1149 239 HOH HOH A . T 7 HOH 240 1150 240 HOH HOH A . T 7 HOH 241 1151 241 HOH HOH A . T 7 HOH 242 1152 242 HOH HOH A . T 7 HOH 243 1153 243 HOH HOH A . T 7 HOH 244 1154 244 HOH HOH A . T 7 HOH 245 1155 245 HOH HOH A . T 7 HOH 246 1156 246 HOH HOH A . T 7 HOH 247 1157 247 HOH HOH A . T 7 HOH 248 1158 248 HOH HOH A . T 7 HOH 249 1159 249 HOH HOH A . T 7 HOH 250 1160 250 HOH HOH A . T 7 HOH 251 1161 251 HOH HOH A . T 7 HOH 252 1162 252 HOH HOH A . T 7 HOH 253 1163 253 HOH HOH A . T 7 HOH 254 1164 254 HOH HOH A . T 7 HOH 255 1165 255 HOH HOH A . T 7 HOH 256 1166 256 HOH HOH A . T 7 HOH 257 1167 257 HOH HOH A . T 7 HOH 258 1168 258 HOH HOH A . T 7 HOH 259 1169 259 HOH HOH A . T 7 HOH 260 1170 260 HOH HOH A . T 7 HOH 261 1171 261 HOH HOH A . T 7 HOH 262 1172 262 HOH HOH A . T 7 HOH 263 1173 263 HOH HOH A . T 7 HOH 264 1174 264 HOH HOH A . T 7 HOH 265 1175 265 HOH HOH A . T 7 HOH 266 1176 266 HOH HOH A . T 7 HOH 267 1177 267 HOH HOH A . T 7 HOH 268 1178 268 HOH HOH A . T 7 HOH 269 1179 269 HOH HOH A . T 7 HOH 270 1180 270 HOH HOH A . T 7 HOH 271 1181 271 HOH HOH A . T 7 HOH 272 1182 272 HOH HOH A . T 7 HOH 273 1183 273 HOH HOH A . T 7 HOH 274 1184 274 HOH HOH A . T 7 HOH 275 1185 275 HOH HOH A . T 7 HOH 276 1186 276 HOH HOH A . T 7 HOH 277 1187 277 HOH HOH A . T 7 HOH 278 1188 278 HOH HOH A . T 7 HOH 279 1189 279 HOH HOH A . T 7 HOH 280 1190 280 HOH HOH A . T 7 HOH 281 1191 281 HOH HOH A . T 7 HOH 282 1192 282 HOH HOH A . T 7 HOH 283 1193 283 HOH HOH A . T 7 HOH 284 1194 284 HOH HOH A . T 7 HOH 285 1195 285 HOH HOH A . T 7 HOH 286 1196 286 HOH HOH A . T 7 HOH 287 1197 287 HOH HOH A . T 7 HOH 288 1198 288 HOH HOH A . T 7 HOH 289 1199 289 HOH HOH A . T 7 HOH 290 1200 290 HOH HOH A . T 7 HOH 291 1201 291 HOH HOH A . T 7 HOH 292 1202 292 HOH HOH A . T 7 HOH 293 1203 293 HOH HOH A . T 7 HOH 294 1204 294 HOH HOH A . T 7 HOH 295 1205 295 HOH HOH A . T 7 HOH 296 1206 296 HOH HOH A . T 7 HOH 297 1207 297 HOH HOH A . T 7 HOH 298 1208 298 HOH HOH A . T 7 HOH 299 1209 299 HOH HOH A . T 7 HOH 300 1210 300 HOH HOH A . T 7 HOH 301 1211 301 HOH HOH A . T 7 HOH 302 1212 302 HOH HOH A . T 7 HOH 303 1213 303 HOH HOH A . T 7 HOH 304 1214 304 HOH HOH A . T 7 HOH 305 1215 305 HOH HOH A . T 7 HOH 306 1216 306 HOH HOH A . T 7 HOH 307 1217 307 HOH HOH A . T 7 HOH 308 1218 308 HOH HOH A . T 7 HOH 309 1219 309 HOH HOH A . T 7 HOH 310 1220 310 HOH HOH A . T 7 HOH 311 1221 311 HOH HOH A . T 7 HOH 312 1222 312 HOH HOH A . T 7 HOH 313 1223 313 HOH HOH A . T 7 HOH 314 1224 314 HOH HOH A . T 7 HOH 315 1225 315 HOH HOH A . T 7 HOH 316 1226 316 HOH HOH A . T 7 HOH 317 1227 317 HOH HOH A . T 7 HOH 318 1228 318 HOH HOH A . T 7 HOH 319 1229 319 HOH HOH A . T 7 HOH 320 1230 320 HOH HOH A . T 7 HOH 321 1231 322 HOH HOH A . T 7 HOH 322 1232 323 HOH HOH A . T 7 HOH 323 1233 324 HOH HOH A . T 7 HOH 324 1234 325 HOH HOH A . T 7 HOH 325 1235 326 HOH HOH A . T 7 HOH 326 1236 327 HOH HOH A . T 7 HOH 327 1237 328 HOH HOH A . T 7 HOH 328 1238 329 HOH HOH A . T 7 HOH 329 1239 330 HOH HOH A . T 7 HOH 330 1240 331 HOH HOH A . T 7 HOH 331 1241 332 HOH HOH A . T 7 HOH 332 1242 333 HOH HOH A . T 7 HOH 333 1243 334 HOH HOH A . T 7 HOH 334 1244 335 HOH HOH A . T 7 HOH 335 1245 336 HOH HOH A . T 7 HOH 336 1246 337 HOH HOH A . T 7 HOH 337 1247 338 HOH HOH A . T 7 HOH 338 1248 339 HOH HOH A . T 7 HOH 339 1249 340 HOH HOH A . T 7 HOH 340 1250 341 HOH HOH A . T 7 HOH 341 1251 342 HOH HOH A . T 7 HOH 342 1252 343 HOH HOH A . T 7 HOH 343 1253 344 HOH HOH A . T 7 HOH 344 1254 345 HOH HOH A . T 7 HOH 345 1255 346 HOH HOH A . T 7 HOH 346 1256 347 HOH HOH A . T 7 HOH 347 1257 350 HOH HOH A . T 7 HOH 348 1258 351 HOH HOH A . T 7 HOH 349 1259 352 HOH HOH A . T 7 HOH 350 1260 353 HOH HOH A . T 7 HOH 351 1261 354 HOH HOH A . T 7 HOH 352 1262 355 HOH HOH A . T 7 HOH 353 1263 366 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 63 A ASN 63 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 71 A ASN 71 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 178 A ASN 178 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 232 A ASN 232 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _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,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T # _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_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A SO4 903 ? O SO4 . 2 1 A HOH 1024 ? T HOH . 3 1 A HOH 1240 ? T HOH . # 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 2008-11-25 2 'Structure model' 1 1 2011-07-13 # _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' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 DNA 'data collection' . ? 2 MOSFLM 'data reduction' . ? 3 SCALA 'data scaling' . ? 4 REFMAC phasing 5.2.0019 ? 5 # _pdbx_entry_details.entry_id 3CA4 _pdbx_entry_details.sequence_details ;AUTHORS STATE THAT THE ELECTRON DENSITY OF THE STRUCTURE INDICATES CLEARLY THAT THE AMINO ACID AT POSITION 224 IS A LEU AND NOT A HIS. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A HOH 1198 ? ? O A HOH 1250 ? ? 2.12 2 1 O A HOH 1199 ? ? O A HOH 1251 ? ? 2.13 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O A HOH 1214 ? ? 1_555 O A HOH 1214 ? ? 8_555 2.18 2 1 NH2 A ARG 103 ? ? 1_555 O1 A SO4 902 ? ? 5_554 2.19 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CG _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 83 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CD _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 83 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.414 _pdbx_validate_rmsd_bond.bond_target_value 1.515 _pdbx_validate_rmsd_bond.bond_deviation -0.101 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.015 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 103 ? ? CZ A ARG 103 ? ? NH1 A ARG 103 ? ? 115.79 120.30 -4.51 0.50 N 2 1 NE A ARG 103 ? ? CZ A ARG 103 ? ? NH2 A ARG 103 ? ? 125.50 120.30 5.20 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 147 ? ? -145.40 29.91 2 1 ASN A 150 ? ? 73.26 -3.81 3 1 THR A 180 ? ? -152.70 78.67 4 1 ARG A 223 ? ? 81.40 -8.30 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A THR 1 ? OG1 ? A THR 1 OG1 2 1 Y 1 A THR 1 ? CG2 ? A THR 1 CG2 3 1 N 1 A LAT 267 ? "O1'" ? F LAT 1 "O1'" 4 1 N 1 A LAT 268 ? "O1'" ? G LAT 1 "O1'" # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id SER _pdbx_unobs_or_zero_occ_residues.auth_seq_id 258 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id SER _pdbx_unobs_or_zero_occ_residues.label_seq_id 258 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 BETA-LACTOSE LAT 5 'SULFATE ION' SO4 6 'ACETATE ION' ACT 7 water HOH #