data_5KC6 # _entry.id 5KC6 # _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 5KC6 WWPDB D_1000221708 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5KC6 _pdbx_database_status.recvd_initial_deposition_date 2016-06-05 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Elegheert, J.' 1 'Clay, J.E.' 2 'Aricescu, A.R.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Science _citation.journal_id_ASTM SCIEAS _citation.journal_id_CSD 0038 _citation.journal_id_ISSN 1095-9203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 353 _citation.language ? _citation.page_first 295 _citation.page_last 299 _citation.title 'Structural basis for integration of GluD receptors within synaptic organizer complexes.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1126/science.aae0104 _citation.pdbx_database_id_PubMed 27418511 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Elegheert, J.' 1 primary 'Kakegawa, W.' 2 primary 'Clay, J.E.' 3 primary 'Shanks, N.F.' 4 primary 'Behiels, E.' 5 primary 'Matsuda, K.' 6 primary 'Kohda, K.' 7 primary 'Miura, E.' 8 primary 'Rossmann, M.' 9 primary 'Mitakidis, N.' 10 primary 'Motohashi, J.' 11 primary 'Chang, V.T.' 12 primary 'Siebold, C.' 13 primary 'Greger, I.H.' 14 primary 'Nakagawa, T.' 15 primary 'Yuzaki, M.' 16 primary 'Aricescu, A.R.' 17 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5KC6 _cell.details ? _cell.formula_units_Z ? _cell.length_a 79.580 _cell.length_a_esd ? _cell.length_b 170.450 _cell.length_b_esd ? _cell.length_c 116.430 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 24 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5KC6 _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Cerebellin-1 19772.318 3 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Precerebellin # _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 ;ETGETEPIVLEGKCLVVCDSNPTSDPTGTALGISSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERSTF IAPRKGIYSFNFHVVKVYNRQTIQVSLMLNGWPVISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYST FSGFLVFPLGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;ETGETEPIVLEGKCLVVCDSNPTSDPTGTALGISSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERSTF IAPRKGIYSFNFHVVKVYNRQTIQVSLMLNGWPVISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYST FSGFLVFPLGTKHHHHHH ; _entity_poly.pdbx_strand_id A,B,C _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 GLU n 1 5 THR n 1 6 GLU n 1 7 PRO n 1 8 ILE n 1 9 VAL n 1 10 LEU n 1 11 GLU n 1 12 GLY n 1 13 LYS n 1 14 CYS n 1 15 LEU n 1 16 VAL n 1 17 VAL n 1 18 CYS n 1 19 ASP n 1 20 SER n 1 21 ASN n 1 22 PRO n 1 23 THR n 1 24 SER n 1 25 ASP n 1 26 PRO n 1 27 THR n 1 28 GLY n 1 29 THR n 1 30 ALA n 1 31 LEU n 1 32 GLY n 1 33 ILE n 1 34 SER n 1 35 SER n 1 36 ALA n 1 37 LYS n 1 38 VAL n 1 39 ALA n 1 40 PHE n 1 41 SER n 1 42 ALA n 1 43 ILE n 1 44 ARG n 1 45 SER n 1 46 THR n 1 47 ASN n 1 48 HIS n 1 49 GLU n 1 50 PRO n 1 51 SER n 1 52 GLU n 1 53 MET n 1 54 SER n 1 55 ASN n 1 56 ARG n 1 57 THR n 1 58 MET n 1 59 ILE n 1 60 ILE n 1 61 TYR n 1 62 PHE n 1 63 ASP n 1 64 GLN n 1 65 VAL n 1 66 LEU n 1 67 VAL n 1 68 ASN n 1 69 ILE n 1 70 GLY n 1 71 ASN n 1 72 ASN n 1 73 PHE n 1 74 ASP n 1 75 SER n 1 76 GLU n 1 77 ARG n 1 78 SER n 1 79 THR n 1 80 PHE n 1 81 ILE n 1 82 ALA n 1 83 PRO n 1 84 ARG n 1 85 LYS n 1 86 GLY n 1 87 ILE n 1 88 TYR n 1 89 SER n 1 90 PHE n 1 91 ASN n 1 92 PHE n 1 93 HIS n 1 94 VAL n 1 95 VAL n 1 96 LYS n 1 97 VAL n 1 98 TYR n 1 99 ASN n 1 100 ARG n 1 101 GLN n 1 102 THR n 1 103 ILE n 1 104 GLN n 1 105 VAL n 1 106 SER n 1 107 LEU n 1 108 MET n 1 109 LEU n 1 110 ASN n 1 111 GLY n 1 112 TRP n 1 113 PRO n 1 114 VAL n 1 115 ILE n 1 116 SER n 1 117 ALA n 1 118 PHE n 1 119 ALA n 1 120 GLY n 1 121 ASP n 1 122 GLN n 1 123 ASP n 1 124 VAL n 1 125 THR n 1 126 ARG n 1 127 GLU n 1 128 ALA n 1 129 ALA n 1 130 SER n 1 131 ASN n 1 132 GLY n 1 133 VAL n 1 134 LEU n 1 135 ILE n 1 136 GLN n 1 137 MET n 1 138 GLU n 1 139 LYS n 1 140 GLY n 1 141 ASP n 1 142 ARG n 1 143 ALA n 1 144 TYR n 1 145 LEU n 1 146 LYS n 1 147 LEU n 1 148 GLU n 1 149 ARG n 1 150 GLY n 1 151 ASN n 1 152 LEU n 1 153 MET n 1 154 GLY n 1 155 GLY n 1 156 TRP n 1 157 LYS n 1 158 TYR n 1 159 SER n 1 160 THR n 1 161 PHE n 1 162 SER n 1 163 GLY n 1 164 PHE n 1 165 LEU n 1 166 VAL n 1 167 PHE n 1 168 PRO n 1 169 LEU n 1 170 GLY n 1 171 THR n 1 172 LYS n 1 173 HIS n 1 174 HIS n 1 175 HIS n 1 176 HIS n 1 177 HIS n 1 178 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 178 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene CBLN1 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name Human _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line HEK293S _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type Plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pHLsec _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code CBLN1_HUMAN _struct_ref.pdbx_db_accession P23435 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;ETEPIVLEGKCLVVCDSNPTSDPTGTALGISVRSGSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERST FIAPRKGIYSFNFHVVKVYNRQTIQVSLMLNGWPVISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYS TFSGFLVFPL ; _struct_ref.pdbx_align_begin 24 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5KC6 A 4 ? 169 ? P23435 24 ? 193 ? 28 193 2 1 5KC6 B 4 ? 169 ? P23435 24 ? 193 ? 28 193 3 1 5KC6 C 4 ? 169 ? P23435 24 ? 193 ? 28 193 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5KC6 GLU A 1 ? UNP P23435 ? ? 'expression tag' 25 1 1 5KC6 THR A 2 ? UNP P23435 ? ? 'expression tag' 26 2 1 5KC6 GLY A 3 ? UNP P23435 ? ? 'expression tag' 27 3 1 5KC6 ? A ? ? UNP P23435 VAL 55 deletion ? 4 1 5KC6 ? A ? ? UNP P23435 ARG 56 deletion ? 5 1 5KC6 ? A ? ? UNP P23435 SER 57 deletion ? 6 1 5KC6 ? A ? ? UNP P23435 GLY 58 deletion ? 7 1 5KC6 GLY A 170 ? UNP P23435 ? ? 'expression tag' 194 8 1 5KC6 THR A 171 ? UNP P23435 ? ? 'expression tag' 195 9 1 5KC6 LYS A 172 ? UNP P23435 ? ? 'expression tag' 196 10 1 5KC6 HIS A 173 ? UNP P23435 ? ? 'expression tag' 197 11 1 5KC6 HIS A 174 ? UNP P23435 ? ? 'expression tag' 198 12 1 5KC6 HIS A 175 ? UNP P23435 ? ? 'expression tag' 199 13 1 5KC6 HIS A 176 ? UNP P23435 ? ? 'expression tag' 200 14 1 5KC6 HIS A 177 ? UNP P23435 ? ? 'expression tag' 201 15 1 5KC6 HIS A 178 ? UNP P23435 ? ? 'expression tag' 202 16 2 5KC6 GLU B 1 ? UNP P23435 ? ? 'expression tag' 25 17 2 5KC6 THR B 2 ? UNP P23435 ? ? 'expression tag' 26 18 2 5KC6 GLY B 3 ? UNP P23435 ? ? 'expression tag' 27 19 2 5KC6 ? B ? ? UNP P23435 VAL 55 deletion ? 20 2 5KC6 ? B ? ? UNP P23435 ARG 56 deletion ? 21 2 5KC6 ? B ? ? UNP P23435 SER 57 deletion ? 22 2 5KC6 ? B ? ? UNP P23435 GLY 58 deletion ? 23 2 5KC6 GLY B 170 ? UNP P23435 ? ? 'expression tag' 194 24 2 5KC6 THR B 171 ? UNP P23435 ? ? 'expression tag' 195 25 2 5KC6 LYS B 172 ? UNP P23435 ? ? 'expression tag' 196 26 2 5KC6 HIS B 173 ? UNP P23435 ? ? 'expression tag' 197 27 2 5KC6 HIS B 174 ? UNP P23435 ? ? 'expression tag' 198 28 2 5KC6 HIS B 175 ? UNP P23435 ? ? 'expression tag' 199 29 2 5KC6 HIS B 176 ? UNP P23435 ? ? 'expression tag' 200 30 2 5KC6 HIS B 177 ? UNP P23435 ? ? 'expression tag' 201 31 2 5KC6 HIS B 178 ? UNP P23435 ? ? 'expression tag' 202 32 3 5KC6 GLU C 1 ? UNP P23435 ? ? 'expression tag' 25 33 3 5KC6 THR C 2 ? UNP P23435 ? ? 'expression tag' 26 34 3 5KC6 GLY C 3 ? UNP P23435 ? ? 'expression tag' 27 35 3 5KC6 ? C ? ? UNP P23435 VAL 55 deletion ? 36 3 5KC6 ? C ? ? UNP P23435 ARG 56 deletion ? 37 3 5KC6 ? C ? ? UNP P23435 SER 57 deletion ? 38 3 5KC6 ? C ? ? UNP P23435 GLY 58 deletion ? 39 3 5KC6 GLY C 170 ? UNP P23435 ? ? 'expression tag' 194 40 3 5KC6 THR C 171 ? UNP P23435 ? ? 'expression tag' 195 41 3 5KC6 LYS C 172 ? UNP P23435 ? ? 'expression tag' 196 42 3 5KC6 HIS C 173 ? UNP P23435 ? ? 'expression tag' 197 43 3 5KC6 HIS C 174 ? UNP P23435 ? ? 'expression tag' 198 44 3 5KC6 HIS C 175 ? UNP P23435 ? ? 'expression tag' 199 45 3 5KC6 HIS C 176 ? UNP P23435 ? ? 'expression tag' 200 46 3 5KC6 HIS C 177 ? UNP P23435 ? ? 'expression tag' 201 47 3 5KC6 HIS C 178 ? UNP P23435 ? ? 'expression tag' 202 48 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5KC6 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.33 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 63.04 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '15% (v/v) glycerol, 8.5% (v/v) isopropanol, 17% (w/v) polyethylene glycol 4000, 0.085 M Na.HEPES pH 7.5 and 0.02 M sodium bromide' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M-F' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2011-11-05 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97630 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'DIAMOND BEAMLINE I03' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97630 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I03 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate 54.6 _reflns.entry_id 5KC6 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.80 _reflns.d_resolution_low 85.22 _reflns.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.number_all ? _reflns.number_obs 14603 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 73.4 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.5 _reflns.pdbx_Rmerge_I_obs 0.056 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 21.7 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.80 _reflns_shell.d_res_low 3.02 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 5.6 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 19.0 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.425 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.1 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 59.1 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5KC6 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.801 _refine.ls_d_res_low 68.770 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 14561 _refine.ls_number_reflns_R_free 708 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 73.17 _refine.ls_percent_reflns_R_free 4.86 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1901 _refine.ls_R_factor_R_free 0.2267 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1883 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.36 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 5KC5 _refine.pdbx_stereochemistry_target_values 'Maximum Likelihood' _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 1.00 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 22.64 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.28 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3314 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 42 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 3356 _refine_hist.d_res_high 2.801 _refine_hist.d_res_low 68.770 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.003 ? 3451 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.722 ? 4666 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 13.202 ? 1244 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.031 ? 507 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.002 ? 600 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.8005 3.0167 . . 48 1011 27.00 . . . 0.2220 . 0.2387 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0167 3.3203 . . 107 2075 55.00 . . . 0.2797 . 0.2422 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3203 3.8008 . . 176 3082 83.00 . . . 0.2539 . 0.2190 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.8008 4.7884 . . 185 3760 99.00 . . . 0.2036 . 0.1631 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.7884 68.7908 . . 192 3925 99.00 . . . 0.2187 . 0.1798 . . . . . . . . . . # _struct.entry_id 5KC6 _struct.title 'Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)' _struct.pdbx_descriptor Cerebellin-1 _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5KC6 _struct_keywords.text 'Cerebellin, neurotransmission, Signaling protein' _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 2 ? E N N 2 ? F N N 2 ? # 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 AA1 SER A 51 ? MET A 58 ? SER A 75 MET A 82 1 ? 8 HELX_P HELX_P2 AA2 SER B 51 ? MET B 58 ? SER B 75 MET B 82 1 ? 8 HELX_P HELX_P3 AA3 SER C 51 ? MET C 58 ? SER C 75 MET C 82 1 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order covale1 covale one ? A ASN 55 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 79 A NAG 301 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale one ? B ASN 55 ND2 ? ? ? 1_555 E NAG . C1 ? ? B ASN 79 B NAG 301 1_555 ? ? ? ? ? ? ? 1.437 ? covale3 covale one ? C ASN 55 ND2 ? ? ? 1_555 F NAG . C1 ? ? C ASN 79 C NAG 301 1_555 ? ? ? ? ? ? ? 1.442 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 5 ? AA3 ? 5 ? AA4 ? 5 ? AA5 ? 5 ? AA6 ? 5 ? # 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA3 4 5 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA6 4 5 ? 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 AA1 1 GLN A 64 ? ILE A 69 ? GLN A 88 ILE A 93 AA1 2 ALA A 39 ? ILE A 43 ? ALA A 63 ILE A 67 AA1 3 THR A 160 ? PRO A 168 ? THR A 184 PRO A 192 AA1 4 GLY A 86 ? LYS A 96 ? GLY A 110 LYS A 120 AA1 5 GLU A 127 ? MET A 137 ? GLU A 151 MET A 161 AA2 1 PHE A 73 ? ASP A 74 ? PHE A 97 ASP A 98 AA2 2 THR A 79 ? ILE A 81 ? THR A 103 ILE A 105 AA2 3 ARG A 142 ? ARG A 149 ? ARG A 166 ARG A 173 AA2 4 ILE A 103 ? LEU A 109 ? ILE A 127 LEU A 133 AA2 5 TRP A 112 ? ALA A 119 ? TRP A 136 ALA A 143 AA3 1 GLN B 64 ? ILE B 69 ? GLN B 88 ILE B 93 AA3 2 ALA B 39 ? ILE B 43 ? ALA B 63 ILE B 67 AA3 3 THR B 160 ? PRO B 168 ? THR B 184 PRO B 192 AA3 4 GLY B 86 ? LYS B 96 ? GLY B 110 LYS B 120 AA3 5 GLU B 127 ? MET B 137 ? GLU B 151 MET B 161 AA4 1 PHE B 73 ? ASP B 74 ? PHE B 97 ASP B 98 AA4 2 THR B 79 ? ILE B 81 ? THR B 103 ILE B 105 AA4 3 ARG B 142 ? ARG B 149 ? ARG B 166 ARG B 173 AA4 4 ILE B 103 ? LEU B 109 ? ILE B 127 LEU B 133 AA4 5 TRP B 112 ? ALA B 119 ? TRP B 136 ALA B 143 AA5 1 GLN C 64 ? ILE C 69 ? GLN C 88 ILE C 93 AA5 2 ALA C 39 ? ILE C 43 ? ALA C 63 ILE C 67 AA5 3 THR C 160 ? PRO C 168 ? THR C 184 PRO C 192 AA5 4 GLY C 86 ? LYS C 96 ? GLY C 110 LYS C 120 AA5 5 GLU C 127 ? MET C 137 ? GLU C 151 MET C 161 AA6 1 PHE C 73 ? ASP C 74 ? PHE C 97 ASP C 98 AA6 2 THR C 79 ? ILE C 81 ? THR C 103 ILE C 105 AA6 3 ARG C 142 ? ARG C 149 ? ARG C 166 ARG C 173 AA6 4 ILE C 103 ? LEU C 109 ? ILE C 127 LEU C 133 AA6 5 TRP C 112 ? ALA C 119 ? TRP C 136 ALA C 143 # 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 AA1 1 2 O GLN A 64 ? O GLN A 88 N ILE A 43 ? N ILE A 67 AA1 2 3 N PHE A 40 ? N PHE A 64 O GLY A 163 ? O GLY A 187 AA1 3 4 O THR A 160 ? O THR A 184 N HIS A 93 ? N HIS A 117 AA1 4 5 N TYR A 88 ? N TYR A 112 O ILE A 135 ? O ILE A 159 AA2 1 2 N ASP A 74 ? N ASP A 98 O THR A 79 ? O THR A 103 AA2 2 3 N PHE A 80 ? N PHE A 104 O ALA A 143 ? O ALA A 167 AA2 3 4 O TYR A 144 ? O TYR A 168 N MET A 108 ? N MET A 132 AA2 4 5 N LEU A 109 ? N LEU A 133 O TRP A 112 ? O TRP A 136 AA3 1 2 O GLN B 64 ? O GLN B 88 N ILE B 43 ? N ILE B 67 AA3 2 3 N PHE B 40 ? N PHE B 64 O GLY B 163 ? O GLY B 187 AA3 3 4 O THR B 160 ? O THR B 184 N HIS B 93 ? N HIS B 117 AA3 4 5 N TYR B 88 ? N TYR B 112 O ILE B 135 ? O ILE B 159 AA4 1 2 N ASP B 74 ? N ASP B 98 O THR B 79 ? O THR B 103 AA4 2 3 N PHE B 80 ? N PHE B 104 O ALA B 143 ? O ALA B 167 AA4 3 4 O TYR B 144 ? O TYR B 168 N MET B 108 ? N MET B 132 AA4 4 5 N LEU B 109 ? N LEU B 133 O TRP B 112 ? O TRP B 136 AA5 1 2 O GLN C 64 ? O GLN C 88 N ILE C 43 ? N ILE C 67 AA5 2 3 N ALA C 42 ? N ALA C 66 O PHE C 161 ? O PHE C 185 AA5 3 4 O PHE C 164 ? O PHE C 188 N SER C 89 ? N SER C 113 AA5 4 5 N TYR C 88 ? N TYR C 112 O ILE C 135 ? O ILE C 159 AA6 1 2 N ASP C 74 ? N ASP C 98 O THR C 79 ? O THR C 103 AA6 2 3 N PHE C 80 ? N PHE C 104 O ALA C 143 ? O ALA C 167 AA6 3 4 O TYR C 144 ? O TYR C 168 N MET C 108 ? N MET C 132 AA6 4 5 N LEU C 109 ? N LEU C 133 O TRP C 112 ? O TRP C 136 # 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 A NAG 301 ? 2 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 79' AC2 Software B NAG 301 ? 3 'binding site for Mono-Saccharide NAG B 301 bound to ASN B 79' AC3 Software C NAG 301 ? 5 'binding site for Mono-Saccharide NAG C 301 bound to ASN C 79' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 GLU A 52 ? GLU A 76 . ? 1_555 ? 2 AC1 2 ASN A 55 ? ASN A 79 . ? 1_555 ? 3 AC2 3 PRO B 50 ? PRO B 74 . ? 1_555 ? 4 AC2 3 ASN B 55 ? ASN B 79 . ? 1_555 ? 5 AC2 3 MET B 153 ? MET B 177 . ? 1_555 ? 6 AC3 5 PRO C 50 ? PRO C 74 . ? 1_555 ? 7 AC3 5 SER C 51 ? SER C 75 . ? 1_555 ? 8 AC3 5 GLU C 52 ? GLU C 76 . ? 1_555 ? 9 AC3 5 ASN C 55 ? ASN C 79 . ? 1_555 ? 10 AC3 5 MET C 153 ? MET C 177 . ? 1_555 ? # _atom_sites.entry_id 5KC6 _atom_sites.fract_transf_matrix[1][1] 0.012566 _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] 0.005867 _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] 0.008589 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 35 ? 76.623 10.788 9.411 1.00 99.90 ? 59 SER A N 1 ATOM 2 C CA . SER A 1 35 ? 76.172 12.010 8.756 1.00 96.67 ? 59 SER A CA 1 ATOM 3 C C . SER A 1 35 ? 76.949 13.228 9.249 1.00 94.54 ? 59 SER A C 1 ATOM 4 O O . SER A 1 35 ? 76.700 13.734 10.344 1.00 90.22 ? 59 SER A O 1 ATOM 5 C CB . SER A 1 35 ? 74.675 12.220 8.990 1.00 94.58 ? 59 SER A CB 1 ATOM 6 O OG . SER A 1 35 ? 74.227 13.414 8.371 1.00 90.20 ? 59 SER A OG 1 ATOM 7 N N . ALA A 1 36 ? 77.888 13.691 8.429 1.00 94.99 ? 60 ALA A N 1 ATOM 8 C CA . ALA A 1 36 ? 78.676 14.880 8.739 1.00 90.75 ? 60 ALA A CA 1 ATOM 9 C C . ALA A 1 36 ? 78.064 16.119 8.094 1.00 86.39 ? 60 ALA A C 1 ATOM 10 O O . ALA A 1 36 ? 78.672 17.191 8.088 1.00 86.91 ? 60 ALA A O 1 ATOM 11 C CB . ALA A 1 36 ? 80.111 14.697 8.276 1.00 92.92 ? 60 ALA A CB 1 ATOM 12 N N . LYS A 1 37 ? 76.858 15.965 7.554 1.00 79.40 ? 61 LYS A N 1 ATOM 13 C CA . LYS A 1 37 ? 76.152 17.066 6.909 1.00 71.09 ? 61 LYS A CA 1 ATOM 14 C C . LYS A 1 37 ? 75.135 17.682 7.857 1.00 71.11 ? 61 LYS A C 1 ATOM 15 O O . LYS A 1 37 ? 74.098 17.086 8.143 1.00 77.78 ? 61 LYS A O 1 ATOM 16 C CB . LYS A 1 37 ? 75.454 16.584 5.640 1.00 66.51 ? 61 LYS A CB 1 ATOM 17 C CG . LYS A 1 37 ? 76.402 16.046 4.586 1.00 66.34 ? 61 LYS A CG 1 ATOM 18 C CD . LYS A 1 37 ? 75.639 15.448 3.418 1.00 71.17 ? 61 LYS A CD 1 ATOM 19 C CE . LYS A 1 37 ? 76.571 15.054 2.288 1.00 77.74 ? 61 LYS A CE 1 ATOM 20 N NZ . LYS A 1 37 ? 75.825 14.819 1.023 1.00 83.79 ? 61 LYS A NZ 1 ATOM 21 N N . VAL A 1 38 ? 75.450 18.876 8.348 1.00 64.21 ? 62 VAL A N 1 ATOM 22 C CA . VAL A 1 38 ? 74.577 19.596 9.267 1.00 58.35 ? 62 VAL A CA 1 ATOM 23 C C . VAL A 1 38 ? 74.635 21.084 8.956 1.00 54.00 ? 62 VAL A C 1 ATOM 24 O O . VAL A 1 38 ? 75.709 21.686 8.953 1.00 48.80 ? 62 VAL A O 1 ATOM 25 C CB . VAL A 1 38 ? 74.973 19.359 10.739 1.00 55.66 ? 62 VAL A CB 1 ATOM 26 C CG1 . VAL A 1 38 ? 74.097 20.185 11.677 1.00 53.57 ? 62 VAL A CG1 1 ATOM 27 C CG2 . VAL A 1 38 ? 74.881 17.880 11.088 1.00 55.58 ? 62 VAL A CG2 1 ATOM 28 N N . ALA A 1 39 ? 73.474 21.673 8.689 1.00 55.29 ? 63 ALA A N 1 ATOM 29 C CA . ALA A 1 39 ? 73.400 23.086 8.343 1.00 50.88 ? 63 ALA A CA 1 ATOM 30 C C . ALA A 1 39 ? 71.983 23.613 8.506 1.00 53.74 ? 63 ALA A C 1 ATOM 31 O O . ALA A 1 39 ? 71.014 22.887 8.282 1.00 60.39 ? 63 ALA A O 1 ATOM 32 C CB . ALA A 1 39 ? 73.880 23.304 6.921 1.00 46.87 ? 63 ALA A CB 1 ATOM 33 N N . PHE A 1 40 ? 71.869 24.878 8.898 1.00 54.24 ? 64 PHE A N 1 ATOM 34 C CA . PHE A 1 40 ? 70.568 25.521 9.034 1.00 55.75 ? 64 PHE A CA 1 ATOM 35 C C . PHE A 1 40 ? 70.644 26.986 8.619 1.00 53.72 ? 64 PHE A C 1 ATOM 36 O O . PHE A 1 40 ? 71.710 27.605 8.661 1.00 50.51 ? 64 PHE A O 1 ATOM 37 C CB . PHE A 1 40 ? 70.054 25.412 10.472 1.00 58.81 ? 64 PHE A CB 1 ATOM 38 C CG . PHE A 1 40 ? 70.679 26.398 11.419 1.00 59.33 ? 64 PHE A CG 1 ATOM 39 C CD1 . PHE A 1 40 ? 71.889 26.122 12.031 1.00 61.38 ? 64 PHE A CD1 1 ATOM 40 C CD2 . PHE A 1 40 ? 70.050 27.601 11.701 1.00 59.77 ? 64 PHE A CD2 1 ATOM 41 C CE1 . PHE A 1 40 ? 72.464 27.029 12.904 1.00 63.84 ? 64 PHE A CE1 1 ATOM 42 C CE2 . PHE A 1 40 ? 70.620 28.511 12.573 1.00 61.56 ? 64 PHE A CE2 1 ATOM 43 C CZ . PHE A 1 40 ? 71.827 28.225 13.175 1.00 62.74 ? 64 PHE A CZ 1 ATOM 44 N N . SER A 1 41 ? 69.502 27.533 8.216 1.00 51.97 ? 65 SER A N 1 ATOM 45 C CA . SER A 1 41 ? 69.419 28.924 7.796 1.00 45.65 ? 65 SER A CA 1 ATOM 46 C C . SER A 1 41 ? 68.003 29.448 8.006 1.00 44.93 ? 65 SER A C 1 ATOM 47 O O . SER A 1 41 ? 67.038 28.850 7.530 1.00 49.10 ? 65 SER A O 1 ATOM 48 C CB . SER A 1 41 ? 69.829 29.062 6.331 1.00 44.99 ? 65 SER A CB 1 ATOM 49 O OG . SER A 1 41 ? 70.401 30.332 6.085 1.00 47.30 ? 65 SER A OG 1 ATOM 50 N N . ALA A 1 42 ? 67.886 30.562 8.723 1.00 42.74 ? 66 ALA A N 1 ATOM 51 C CA . ALA A 1 42 ? 66.584 31.138 9.049 1.00 46.27 ? 66 ALA A CA 1 ATOM 52 C C . ALA A 1 42 ? 66.584 32.650 8.860 1.00 42.99 ? 66 ALA A C 1 ATOM 53 O O . ALA A 1 42 ? 67.615 33.302 9.024 1.00 40.48 ? 66 ALA A O 1 ATOM 54 C CB . ALA A 1 42 ? 66.199 30.786 10.475 1.00 51.29 ? 66 ALA A CB 1 ATOM 55 N N . ILE A 1 43 ? 65.421 33.200 8.518 1.00 44.11 ? 67 ILE A N 1 ATOM 56 C CA . ILE A 1 43 ? 65.282 34.638 8.309 1.00 43.59 ? 67 ILE A CA 1 ATOM 57 C C . ILE A 1 43 ? 64.001 35.187 8.930 1.00 45.56 ? 67 ILE A C 1 ATOM 58 O O . ILE A 1 43 ? 63.026 34.460 9.116 1.00 48.52 ? 67 ILE A O 1 ATOM 59 C CB . ILE A 1 43 ? 65.298 34.996 6.800 1.00 35.07 ? 67 ILE A CB 1 ATOM 60 C CG1 . ILE A 1 43 ? 64.007 34.530 6.117 1.00 42.29 ? 67 ILE A CG1 1 ATOM 61 C CG2 . ILE A 1 43 ? 66.523 34.387 6.128 1.00 35.36 ? 67 ILE A CG2 1 ATOM 62 C CD1 . ILE A 1 43 ? 63.936 34.849 4.635 1.00 50.38 ? 67 ILE A CD1 1 ATOM 63 N N . ARG A 1 44 ? 64.021 36.477 9.251 1.00 46.02 ? 68 ARG A N 1 ATOM 64 C CA . ARG A 1 44 ? 62.826 37.192 9.681 1.00 43.34 ? 68 ARG A CA 1 ATOM 65 C C . ARG A 1 44 ? 62.215 37.878 8.466 1.00 47.08 ? 68 ARG A C 1 ATOM 66 O O . ARG A 1 44 ? 62.777 38.842 7.941 1.00 45.62 ? 68 ARG A O 1 ATOM 67 C CB . ARG A 1 44 ? 63.158 38.217 10.763 1.00 39.54 ? 68 ARG A CB 1 ATOM 68 C CG . ARG A 1 44 ? 61.949 38.968 11.298 1.00 38.86 ? 68 ARG A CG 1 ATOM 69 C CD . ARG A 1 44 ? 61.002 38.042 12.032 1.00 37.88 ? 68 ARG A CD 1 ATOM 70 N NE . ARG A 1 44 ? 59.954 38.780 12.729 1.00 41.92 ? 68 ARG A NE 1 ATOM 71 C CZ . ARG A 1 44 ? 58.945 38.210 13.379 1.00 48.29 ? 68 ARG A CZ 1 ATOM 72 N NH1 . ARG A 1 44 ? 58.841 36.888 13.426 1.00 50.45 ? 68 ARG A NH1 1 ATOM 73 N NH2 . ARG A 1 44 ? 58.039 38.963 13.986 1.00 51.67 ? 68 ARG A NH2 1 ATOM 74 N N . SER A 1 45 ? 61.063 37.382 8.029 1.00 47.70 ? 69 SER A N 1 ATOM 75 C CA . SER A 1 45 ? 60.482 37.796 6.758 1.00 48.68 ? 69 SER A CA 1 ATOM 76 C C . SER A 1 45 ? 59.366 38.832 6.886 1.00 48.22 ? 69 SER A C 1 ATOM 77 O O . SER A 1 45 ? 58.721 39.158 5.889 1.00 48.59 ? 69 SER A O 1 ATOM 78 C CB . SER A 1 45 ? 59.943 36.572 6.021 1.00 48.04 ? 69 SER A CB 1 ATOM 79 O OG . SER A 1 45 ? 58.898 35.965 6.759 1.00 49.70 ? 69 SER A OG 1 ATOM 80 N N . THR A 1 46 ? 59.138 39.353 8.091 1.00 48.78 ? 70 THR A N 1 ATOM 81 C CA . THR A 1 46 ? 58.002 40.246 8.321 1.00 47.41 ? 70 THR A CA 1 ATOM 82 C C . THR A 1 46 ? 58.274 41.390 9.296 1.00 44.17 ? 70 THR A C 1 ATOM 83 O O . THR A 1 46 ? 59.155 41.313 10.152 1.00 38.87 ? 70 THR A O 1 ATOM 84 C CB . THR A 1 46 ? 56.786 39.462 8.848 1.00 51.89 ? 70 THR A CB 1 ATOM 85 O OG1 . THR A 1 46 ? 55.717 40.373 9.129 1.00 57.77 ? 70 THR A OG1 1 ATOM 86 C CG2 . THR A 1 46 ? 57.138 38.697 10.113 1.00 52.34 ? 70 THR A CG2 1 ATOM 87 N N . ASN A 1 47 ? 57.489 42.452 9.140 1.00 48.01 ? 71 ASN A N 1 ATOM 88 C CA . ASN A 1 47 ? 57.534 43.618 10.015 1.00 50.46 ? 71 ASN A CA 1 ATOM 89 C C . ASN A 1 47 ? 56.987 43.346 11.413 1.00 50.94 ? 71 ASN A C 1 ATOM 90 O O . ASN A 1 47 ? 57.116 44.187 12.302 1.00 49.66 ? 71 ASN A O 1 ATOM 91 C CB . ASN A 1 47 ? 56.737 44.765 9.393 1.00 59.54 ? 71 ASN A CB 1 ATOM 92 C CG . ASN A 1 47 ? 57.224 45.128 8.009 1.00 70.37 ? 71 ASN A CG 1 ATOM 93 O OD1 . ASN A 1 47 ? 58.179 45.891 7.855 1.00 72.51 ? 71 ASN A OD1 1 ATOM 94 N ND2 . ASN A 1 47 ? 56.563 44.587 6.990 1.00 73.59 ? 71 ASN A ND2 1 ATOM 95 N N . HIS A 1 48 ? 56.363 42.183 11.589 1.00 49.27 ? 72 HIS A N 1 ATOM 96 C CA . HIS A 1 48 ? 55.616 41.866 12.806 1.00 51.45 ? 72 HIS A CA 1 ATOM 97 C C . HIS A 1 48 ? 56.380 42.176 14.089 1.00 54.47 ? 72 HIS A C 1 ATOM 98 O O . HIS A 1 48 ? 57.595 42.004 14.166 1.00 57.21 ? 72 HIS A O 1 ATOM 99 C CB . HIS A 1 48 ? 55.211 40.389 12.805 1.00 57.68 ? 72 HIS A CB 1 ATOM 100 C CG . HIS A 1 48 ? 54.100 40.067 11.853 1.00 65.67 ? 72 HIS A CG 1 ATOM 101 N ND1 . HIS A 1 48 ? 53.278 41.032 11.313 1.00 69.62 ? 72 HIS A ND1 1 ATOM 102 C CD2 . HIS A 1 48 ? 53.674 38.883 11.350 1.00 66.73 ? 72 HIS A CD2 1 ATOM 103 C CE1 . HIS A 1 48 ? 52.394 40.458 10.515 1.00 72.13 ? 72 HIS A CE1 1 ATOM 104 N NE2 . HIS A 1 48 ? 52.613 39.156 10.520 1.00 67.91 ? 72 HIS A NE2 1 ATOM 105 N N . GLU A 1 49 ? 55.640 42.634 15.092 1.00 59.51 ? 73 GLU A N 1 ATOM 106 C CA . GLU A 1 49 ? 56.220 43.072 16.353 1.00 59.75 ? 73 GLU A CA 1 ATOM 107 C C . GLU A 1 49 ? 56.626 41.880 17.209 1.00 59.35 ? 73 GLU A C 1 ATOM 108 O O . GLU A 1 49 ? 56.172 40.760 16.969 1.00 58.08 ? 73 GLU A O 1 ATOM 109 C CB . GLU A 1 49 ? 55.224 43.940 17.122 1.00 64.93 ? 73 GLU A CB 1 ATOM 110 C CG . GLU A 1 49 ? 54.819 45.220 16.407 1.00 70.67 ? 73 GLU A CG 1 ATOM 111 C CD . GLU A 1 49 ? 55.963 46.201 16.262 1.00 73.13 ? 73 GLU A CD 1 ATOM 112 O OE1 . GLU A 1 49 ? 56.957 46.075 17.005 1.00 72.86 ? 73 GLU A OE1 1 ATOM 113 O OE2 . GLU A 1 49 ? 55.864 47.104 15.406 1.00 77.98 ? 73 GLU A OE2 1 ATOM 114 N N . PRO A 1 50 ? 57.488 42.115 18.211 1.00 59.74 ? 74 PRO A N 1 ATOM 115 C CA . PRO A 1 50 ? 57.848 41.059 19.163 1.00 58.21 ? 74 PRO A CA 1 ATOM 116 C C . PRO A 1 50 ? 56.633 40.516 19.906 1.00 61.07 ? 74 PRO A C 1 ATOM 117 O O . PRO A 1 50 ? 55.804 41.295 20.378 1.00 62.16 ? 74 PRO A O 1 ATOM 118 C CB . PRO A 1 50 ? 58.802 41.767 20.129 1.00 57.61 ? 74 PRO A CB 1 ATOM 119 C CG . PRO A 1 50 ? 59.362 42.894 19.349 1.00 56.59 ? 74 PRO A CG 1 ATOM 120 C CD . PRO A 1 50 ? 58.261 43.347 18.444 1.00 60.19 ? 74 PRO A CD 1 ATOM 121 N N . SER A 1 51 ? 56.537 39.195 20.014 1.00 60.44 ? 75 SER A N 1 ATOM 122 C CA . SER A 1 51 ? 55.462 38.570 20.771 1.00 64.85 ? 75 SER A CA 1 ATOM 123 C C . SER A 1 51 ? 55.650 38.857 22.252 1.00 71.36 ? 75 SER A C 1 ATOM 124 O O . SER A 1 51 ? 56.731 39.268 22.678 1.00 69.76 ? 75 SER A O 1 ATOM 125 C CB . SER A 1 51 ? 55.426 37.060 20.525 1.00 64.53 ? 75 SER A CB 1 ATOM 126 O OG . SER A 1 51 ? 56.678 36.466 20.815 1.00 64.30 ? 75 SER A OG 1 ATOM 127 N N . GLU A 1 52 ? 54.598 38.645 23.036 1.00 78.43 ? 76 GLU A N 1 ATOM 128 C CA . GLU A 1 52 ? 54.685 38.838 24.476 1.00 83.99 ? 76 GLU A CA 1 ATOM 129 C C . GLU A 1 52 ? 55.727 37.886 25.054 1.00 80.44 ? 76 GLU A C 1 ATOM 130 O O . GLU A 1 52 ? 56.375 38.190 26.055 1.00 80.04 ? 76 GLU A O 1 ATOM 131 C CB . GLU A 1 52 ? 53.322 38.614 25.133 1.00 87.36 ? 76 GLU A CB 1 ATOM 132 C CG . GLU A 1 52 ? 53.274 38.980 26.610 1.00 93.06 ? 76 GLU A CG 1 ATOM 133 C CD . GLU A 1 52 ? 53.518 37.790 27.522 1.00 95.89 ? 76 GLU A CD 1 ATOM 134 O OE1 . GLU A 1 52 ? 52.827 36.762 27.362 1.00 98.41 ? 76 GLU A OE1 1 ATOM 135 O OE2 . GLU A 1 52 ? 54.399 37.882 28.403 1.00 95.44 ? 76 GLU A OE2 1 ATOM 136 N N . MET A 1 53 ? 55.889 36.737 24.404 1.00 82.76 ? 77 MET A N 1 ATOM 137 C CA . MET A 1 53 ? 56.905 35.765 24.789 1.00 86.04 ? 77 MET A CA 1 ATOM 138 C C . MET A 1 53 ? 58.309 36.315 24.557 1.00 87.51 ? 77 MET A C 1 ATOM 139 O O . MET A 1 53 ? 59.213 36.090 25.362 1.00 86.14 ? 77 MET A O 1 ATOM 140 C CB . MET A 1 53 ? 56.721 34.464 24.008 1.00 82.83 ? 77 MET A CB 1 ATOM 141 C CG . MET A 1 53 ? 57.779 33.412 24.307 1.00 79.36 ? 77 MET A CG 1 ATOM 142 S SD . MET A 1 53 ? 57.493 31.849 23.456 1.00 199.11 ? 77 MET A SD 1 ATOM 143 C CE . MET A 1 53 ? 55.977 31.302 24.239 1.00 88.45 ? 77 MET A CE 1 ATOM 144 N N . SER A 1 54 ? 58.484 37.033 23.452 1.00 92.28 ? 78 SER A N 1 ATOM 145 C CA . SER A 1 54 ? 59.778 37.610 23.108 1.00 95.30 ? 78 SER A CA 1 ATOM 146 C C . SER A 1 54 ? 60.217 38.583 24.189 1.00 97.96 ? 78 SER A C 1 ATOM 147 O O . SER A 1 54 ? 61.382 38.603 24.586 1.00 97.91 ? 78 SER A O 1 ATOM 148 C CB . SER A 1 54 ? 59.710 38.323 21.756 1.00 98.99 ? 78 SER A CB 1 ATOM 149 O OG . SER A 1 54 ? 59.057 37.521 20.787 1.00 101.96 ? 78 SER A OG 1 ATOM 150 N N . ASN A 1 55 ? 59.273 39.391 24.658 1.00 100.47 ? 79 ASN A N 1 ATOM 151 C CA . ASN A 1 55 ? 59.531 40.322 25.748 1.00 100.29 ? 79 ASN A CA 1 ATOM 152 C C . ASN A 1 55 ? 60.029 39.651 27.024 1.00 93.82 ? 79 ASN A C 1 ATOM 153 O O . ASN A 1 55 ? 60.795 40.248 27.782 1.00 92.74 ? 79 ASN A O 1 ATOM 154 C CB . ASN A 1 55 ? 58.267 41.128 26.068 1.00 111.11 ? 79 ASN A CB 1 ATOM 155 C CG . ASN A 1 55 ? 58.176 42.425 25.281 1.00 118.60 ? 79 ASN A CG 1 ATOM 156 O OD1 . ASN A 1 55 ? 59.176 42.929 24.768 1.00 114.76 ? 79 ASN A OD1 1 ATOM 157 N ND2 . ASN A 1 55 ? 56.977 42.987 25.204 1.00 126.20 ? 79 ASN A ND2 1 ATOM 158 N N . ARG A 1 56 ? 59.601 38.415 27.263 1.00 88.43 ? 80 ARG A N 1 ATOM 159 C CA . ARG A 1 56 ? 59.977 37.715 28.487 1.00 87.55 ? 80 ARG A CA 1 ATOM 160 C C . ARG A 1 56 ? 61.347 37.048 28.362 1.00 81.35 ? 80 ARG A C 1 ATOM 161 O O . ARG A 1 56 ? 62.222 37.239 29.205 1.00 83.65 ? 80 ARG A O 1 ATOM 162 C CB . ARG A 1 56 ? 58.941 36.648 28.840 1.00 93.60 ? 80 ARG A CB 1 ATOM 163 C CG . ARG A 1 56 ? 57.626 37.188 29.386 1.00 99.81 ? 80 ARG A CG 1 ATOM 164 C CD . ARG A 1 56 ? 56.729 36.064 29.896 1.00 103.54 ? 80 ARG A CD 1 ATOM 165 N NE . ARG A 1 56 ? 56.530 35.012 28.898 1.00 101.08 ? 80 ARG A NE 1 ATOM 166 C CZ . ARG A 1 56 ? 57.302 33.931 28.785 1.00 98.24 ? 80 ARG A CZ 1 ATOM 167 N NH1 . ARG A 1 56 ? 58.326 33.740 29.610 1.00 92.62 ? 80 ARG A NH1 1 ATOM 168 N NH2 . ARG A 1 56 ? 57.050 33.028 27.847 1.00 99.79 ? 80 ARG A NH2 1 ATOM 169 N N . THR A 1 57 ? 61.523 36.271 27.296 1.00 74.88 ? 81 THR A N 1 ATOM 170 C CA . THR A 1 57 ? 62.712 35.438 27.121 1.00 69.54 ? 81 THR A CA 1 ATOM 171 C C . THR A 1 57 ? 63.877 36.189 26.478 1.00 60.64 ? 81 THR A C 1 ATOM 172 O O . THR A 1 57 ? 65.023 35.745 26.561 1.00 55.05 ? 81 THR A O 1 ATOM 173 C CB . THR A 1 57 ? 62.399 34.203 26.253 1.00 73.45 ? 81 THR A CB 1 ATOM 174 O OG1 . THR A 1 57 ? 62.120 34.615 24.909 1.00 73.01 ? 81 THR A OG1 1 ATOM 175 C CG2 . THR A 1 57 ? 61.203 33.439 26.809 1.00 79.79 ? 81 THR A CG2 1 ATOM 176 N N . MET A 1 58 ? 63.573 37.308 25.825 1.00 57.79 ? 82 MET A N 1 ATOM 177 C CA . MET A 1 58 ? 64.576 38.131 25.150 1.00 52.78 ? 82 MET A CA 1 ATOM 178 C C . MET A 1 58 ? 65.254 37.385 24.003 1.00 52.25 ? 82 MET A C 1 ATOM 179 O O . MET A 1 58 ? 66.322 37.788 23.541 1.00 53.73 ? 82 MET A O 1 ATOM 180 C CB . MET A 1 58 ? 65.637 38.612 26.144 1.00 55.31 ? 82 MET A CB 1 ATOM 181 C CG . MET A 1 58 ? 65.083 39.418 27.303 1.00 60.48 ? 82 MET A CG 1 ATOM 182 S SD . MET A 1 58 ? 66.344 39.751 28.544 1.00 228.05 ? 82 MET A SD 1 ATOM 183 C CE . MET A 1 58 ? 65.444 40.801 29.684 1.00 171.34 ? 82 MET A CE 1 ATOM 184 N N . ILE A 1 59 ? 64.628 36.310 23.535 1.00 50.46 ? 83 ILE A N 1 ATOM 185 C CA . ILE A 1 59 ? 65.166 35.546 22.415 1.00 46.47 ? 83 ILE A CA 1 ATOM 186 C C . ILE A 1 59 ? 64.654 36.111 21.096 1.00 40.96 ? 83 ILE A C 1 ATOM 187 O O . ILE A 1 59 ? 63.479 36.458 20.967 1.00 39.14 ? 83 ILE A O 1 ATOM 188 C CB . ILE A 1 59 ? 64.798 34.049 22.522 1.00 44.76 ? 83 ILE A CB 1 ATOM 189 C CG1 . ILE A 1 59 ? 65.473 33.431 23.747 1.00 47.77 ? 83 ILE A CG1 1 ATOM 190 C CG2 . ILE A 1 59 ? 65.206 33.291 21.255 1.00 38.11 ? 83 ILE A CG2 1 ATOM 191 C CD1 . ILE A 1 59 ? 64.997 32.034 24.077 1.00 52.98 ? 83 ILE A CD1 1 ATOM 192 N N . ILE A 1 60 ? 65.552 36.199 20.120 1.00 38.12 ? 84 ILE A N 1 ATOM 193 C CA . ILE A 1 60 ? 65.205 36.678 18.790 1.00 39.07 ? 84 ILE A CA 1 ATOM 194 C C . ILE A 1 60 ? 64.710 35.511 17.946 1.00 44.77 ? 84 ILE A C 1 ATOM 195 O O . ILE A 1 60 ? 65.437 34.541 17.732 1.00 47.39 ? 84 ILE A O 1 ATOM 196 C CB . ILE A 1 60 ? 66.407 37.361 18.113 1.00 36.84 ? 84 ILE A CB 1 ATOM 197 C CG1 . ILE A 1 60 ? 66.799 38.617 18.892 1.00 39.18 ? 84 ILE A CG1 1 ATOM 198 C CG2 . ILE A 1 60 ? 66.085 37.733 16.673 1.00 34.38 ? 84 ILE A CG2 1 ATOM 199 C CD1 . ILE A 1 60 ? 68.203 39.094 18.619 1.00 39.61 ? 84 ILE A CD1 1 ATOM 200 N N . TYR A 1 61 ? 63.471 35.613 17.473 1.00 50.75 ? 85 TYR A N 1 ATOM 201 C CA . TYR A 1 61 ? 62.830 34.526 16.742 1.00 59.40 ? 85 TYR A CA 1 ATOM 202 C C . TYR A 1 61 ? 62.825 34.756 15.232 1.00 51.18 ? 85 TYR A C 1 ATOM 203 O O . TYR A 1 61 ? 62.621 35.878 14.763 1.00 47.88 ? 85 TYR A O 1 ATOM 204 C CB . TYR A 1 61 ? 61.397 34.342 17.241 1.00 74.01 ? 85 TYR A CB 1 ATOM 205 C CG . TYR A 1 61 ? 61.317 33.939 18.697 1.00 88.13 ? 85 TYR A CG 1 ATOM 206 C CD1 . TYR A 1 61 ? 61.511 32.619 19.086 1.00 91.08 ? 85 TYR A CD1 1 ATOM 207 C CD2 . TYR A 1 61 ? 61.055 34.881 19.685 1.00 92.95 ? 85 TYR A CD2 1 ATOM 208 C CE1 . TYR A 1 61 ? 61.441 32.246 20.417 1.00 91.51 ? 85 TYR A CE1 1 ATOM 209 C CE2 . TYR A 1 61 ? 60.984 34.517 21.020 1.00 94.14 ? 85 TYR A CE2 1 ATOM 210 C CZ . TYR A 1 61 ? 61.179 33.199 21.378 1.00 92.63 ? 85 TYR A CZ 1 ATOM 211 O OH . TYR A 1 61 ? 61.110 32.830 22.703 1.00 93.17 ? 85 TYR A OH 1 ATOM 212 N N . PHE A 1 62 ? 63.047 33.677 14.486 1.00 45.93 ? 86 PHE A N 1 ATOM 213 C CA . PHE A 1 62 ? 63.042 33.705 13.028 1.00 42.06 ? 86 PHE A CA 1 ATOM 214 C C . PHE A 1 62 ? 61.956 32.773 12.505 1.00 45.33 ? 86 PHE A C 1 ATOM 215 O O . PHE A 1 62 ? 61.995 31.568 12.750 1.00 48.22 ? 86 PHE A O 1 ATOM 216 C CB . PHE A 1 62 ? 64.407 33.299 12.474 1.00 37.46 ? 86 PHE A CB 1 ATOM 217 C CG . PHE A 1 62 ? 65.530 34.184 12.927 1.00 33.55 ? 86 PHE A CG 1 ATOM 218 C CD1 . PHE A 1 62 ? 66.169 33.951 14.132 1.00 32.46 ? 86 PHE A CD1 1 ATOM 219 C CD2 . PHE A 1 62 ? 65.942 35.253 12.152 1.00 35.44 ? 86 PHE A CD2 1 ATOM 220 C CE1 . PHE A 1 62 ? 67.200 34.766 14.553 1.00 28.50 ? 86 PHE A CE1 1 ATOM 221 C CE2 . PHE A 1 62 ? 66.973 36.071 12.569 1.00 32.61 ? 86 PHE A CE2 1 ATOM 222 C CZ . PHE A 1 62 ? 67.601 35.827 13.772 1.00 28.41 ? 86 PHE A CZ 1 ATOM 223 N N . ASP A 1 63 ? 60.986 33.333 11.789 1.00 48.12 ? 87 ASP A N 1 ATOM 224 C CA . ASP A 1 63 ? 59.799 32.581 11.392 1.00 53.46 ? 87 ASP A CA 1 ATOM 225 C C . ASP A 1 63 ? 60.040 31.663 10.190 1.00 56.46 ? 87 ASP A C 1 ATOM 226 O O . ASP A 1 63 ? 59.483 30.565 10.129 1.00 64.04 ? 87 ASP A O 1 ATOM 227 C CB . ASP A 1 63 ? 58.641 33.542 11.090 1.00 52.74 ? 87 ASP A CB 1 ATOM 228 C CG . ASP A 1 63 ? 58.916 34.446 9.905 1.00 54.18 ? 87 ASP A CG 1 ATOM 229 O OD1 . ASP A 1 63 ? 58.653 34.021 8.760 1.00 51.63 ? 87 ASP A OD1 1 ATOM 230 O OD2 . ASP A 1 63 ? 59.382 35.585 10.119 1.00 57.36 ? 87 ASP A OD2 1 ATOM 231 N N . GLN A 1 64 ? 60.867 32.104 9.245 1.00 52.84 ? 88 GLN A N 1 ATOM 232 C CA . GLN A 1 64 ? 61.070 31.366 7.998 1.00 54.77 ? 88 GLN A CA 1 ATOM 233 C C . GLN A 1 64 ? 62.433 30.676 7.949 1.00 52.31 ? 88 GLN A C 1 ATOM 234 O O . GLN A 1 64 ? 63.472 31.312 8.133 1.00 53.82 ? 88 GLN A O 1 ATOM 235 C CB . GLN A 1 64 ? 60.920 32.300 6.795 1.00 55.78 ? 88 GLN A CB 1 ATOM 236 C CG . GLN A 1 64 ? 61.052 31.592 5.455 1.00 64.91 ? 88 GLN A CG 1 ATOM 237 C CD . GLN A 1 64 ? 60.695 32.481 4.282 1.00 73.14 ? 88 GLN A CD 1 ATOM 238 O OE1 . GLN A 1 64 ? 60.654 33.705 4.403 1.00 71.68 ? 88 GLN A OE1 1 ATOM 239 N NE2 . GLN A 1 64 ? 60.429 31.866 3.136 1.00 84.31 ? 88 GLN A NE2 1 ATOM 240 N N . VAL A 1 65 ? 62.409 29.372 7.685 1.00 48.38 ? 89 VAL A N 1 ATOM 241 C CA . VAL A 1 65 ? 63.617 28.557 7.627 1.00 44.31 ? 89 VAL A CA 1 ATOM 242 C C . VAL A 1 65 ? 63.936 28.165 6.189 1.00 46.36 ? 89 VAL A C 1 ATOM 243 O O . VAL A 1 65 ? 63.186 27.421 5.557 1.00 48.44 ? 89 VAL A O 1 ATOM 244 C CB . VAL A 1 65 ? 63.471 27.279 8.479 1.00 45.41 ? 89 VAL A CB 1 ATOM 245 C CG1 . VAL A 1 65 ? 64.726 26.420 8.389 1.00 47.93 ? 89 VAL A CG1 1 ATOM 246 C CG2 . VAL A 1 65 ? 63.171 27.633 9.927 1.00 43.02 ? 89 VAL A CG2 1 ATOM 247 N N . LEU A 1 66 ? 65.053 28.673 5.680 1.00 48.63 ? 90 LEU A N 1 ATOM 248 C CA . LEU A 1 66 ? 65.492 28.374 4.322 1.00 50.33 ? 90 LEU A CA 1 ATOM 249 C C . LEU A 1 66 ? 66.181 27.013 4.251 1.00 51.11 ? 90 LEU A C 1 ATOM 250 O O . LEU A 1 66 ? 66.062 26.295 3.257 1.00 55.80 ? 90 LEU A O 1 ATOM 251 C CB . LEU A 1 66 ? 66.441 29.462 3.820 1.00 52.49 ? 90 LEU A CB 1 ATOM 252 C CG . LEU A 1 66 ? 65.919 30.899 3.868 1.00 54.46 ? 90 LEU A CG 1 ATOM 253 C CD1 . LEU A 1 66 ? 66.988 31.855 3.373 1.00 55.87 ? 90 LEU A CD1 1 ATOM 254 C CD2 . LEU A 1 66 ? 64.645 31.052 3.055 1.00 59.68 ? 90 LEU A CD2 1 ATOM 255 N N . VAL A 1 67 ? 66.914 26.677 5.308 1.00 46.53 ? 91 VAL A N 1 ATOM 256 C CA . VAL A 1 67 ? 67.690 25.443 5.364 1.00 49.86 ? 91 VAL A CA 1 ATOM 257 C C . VAL A 1 67 ? 67.615 24.837 6.759 1.00 50.53 ? 91 VAL A C 1 ATOM 258 O O . VAL A 1 67 ? 67.644 25.560 7.753 1.00 51.31 ? 91 VAL A O 1 ATOM 259 C CB . VAL A 1 67 ? 69.171 25.687 4.993 1.00 54.07 ? 91 VAL A CB 1 ATOM 260 C CG1 . VAL A 1 67 ? 69.990 24.407 5.136 1.00 57.22 ? 91 VAL A CG1 1 ATOM 261 C CG2 . VAL A 1 67 ? 69.287 26.243 3.582 1.00 55.98 ? 91 VAL A CG2 1 ATOM 262 N N . ASN A 1 68 ? 67.500 23.514 6.831 1.00 52.37 ? 92 ASN A N 1 ATOM 263 C CA . ASN A 1 68 ? 67.559 22.823 8.115 1.00 54.98 ? 92 ASN A CA 1 ATOM 264 C C . ASN A 1 68 ? 67.894 21.345 7.936 1.00 54.54 ? 92 ASN A C 1 ATOM 265 O O . ASN A 1 68 ? 67.121 20.466 8.315 1.00 57.23 ? 92 ASN A O 1 ATOM 266 C CB . ASN A 1 68 ? 66.239 22.984 8.874 1.00 56.35 ? 92 ASN A CB 1 ATOM 267 C CG . ASN A 1 68 ? 66.351 22.576 10.334 1.00 62.10 ? 92 ASN A CG 1 ATOM 268 O OD1 . ASN A 1 68 ? 67.446 22.321 10.839 1.00 61.38 ? 92 ASN A OD1 1 ATOM 269 N ND2 . ASN A 1 68 ? 65.216 22.516 11.020 1.00 66.71 ? 92 ASN A ND2 1 ATOM 270 N N . ILE A 1 69 ? 69.060 21.082 7.356 1.00 52.00 ? 93 ILE A N 1 ATOM 271 C CA . ILE A 1 69 ? 69.540 19.719 7.173 1.00 52.48 ? 93 ILE A CA 1 ATOM 272 C C . ILE A 1 69 ? 69.846 19.092 8.528 1.00 56.55 ? 93 ILE A C 1 ATOM 273 O O . ILE A 1 69 ? 70.512 19.697 9.368 1.00 56.24 ? 93 ILE A O 1 ATOM 274 C CB . ILE A 1 69 ? 70.789 19.688 6.257 1.00 48.71 ? 93 ILE A CB 1 ATOM 275 C CG1 . ILE A 1 69 ? 70.375 19.550 4.791 1.00 47.62 ? 93 ILE A CG1 1 ATOM 276 C CG2 . ILE A 1 69 ? 71.723 18.537 6.613 1.00 49.15 ? 93 ILE A CG2 1 ATOM 277 C CD1 . ILE A 1 69 ? 69.303 20.525 4.341 1.00 46.84 ? 93 ILE A CD1 1 ATOM 278 N N . GLY A 1 70 ? 69.346 17.877 8.732 1.00 62.71 ? 94 GLY A N 1 ATOM 279 C CA . GLY A 1 70 ? 69.476 17.191 10.004 1.00 65.79 ? 94 GLY A CA 1 ATOM 280 C C . GLY A 1 70 ? 68.371 17.595 10.963 1.00 68.72 ? 94 GLY A C 1 ATOM 281 O O . GLY A 1 70 ? 68.228 17.011 12.038 1.00 70.62 ? 94 GLY A O 1 ATOM 282 N N . ASN A 1 71 ? 67.581 18.586 10.553 1.00 70.76 ? 95 ASN A N 1 ATOM 283 C CA . ASN A 1 71 ? 66.502 19.135 11.370 1.00 76.13 ? 95 ASN A CA 1 ATOM 284 C C . ASN A 1 71 ? 66.934 19.410 12.810 1.00 76.55 ? 95 ASN A C 1 ATOM 285 O O . ASN A 1 71 ? 66.199 19.132 13.758 1.00 81.11 ? 95 ASN A O 1 ATOM 286 C CB . ASN A 1 71 ? 65.299 18.192 11.346 1.00 86.03 ? 95 ASN A CB 1 ATOM 287 C CG . ASN A 1 71 ? 63.982 18.936 11.405 1.00 96.30 ? 95 ASN A CG 1 ATOM 288 O OD1 . ASN A 1 71 ? 63.389 19.247 10.372 1.00 98.76 ? 95 ASN A OD1 1 ATOM 289 N ND2 . ASN A 1 71 ? 63.520 19.232 12.615 1.00 100.66 ? 95 ASN A ND2 1 ATOM 290 N N . ASN A 1 72 ? 68.128 19.975 12.957 1.00 72.73 ? 96 ASN A N 1 ATOM 291 C CA . ASN A 1 72 ? 68.696 20.267 14.269 1.00 70.65 ? 96 ASN A CA 1 ATOM 292 C C . ASN A 1 72 ? 68.357 21.674 14.752 1.00 66.15 ? 96 ASN A C 1 ATOM 293 O O . ASN A 1 72 ? 68.686 22.048 15.879 1.00 63.04 ? 96 ASN A O 1 ATOM 294 C CB . ASN A 1 72 ? 70.210 20.076 14.237 1.00 70.62 ? 96 ASN A CB 1 ATOM 295 C CG . ASN A 1 72 ? 70.602 18.636 13.992 1.00 73.84 ? 96 ASN A CG 1 ATOM 296 O OD1 . ASN A 1 72 ? 70.365 17.768 14.831 1.00 77.35 ? 96 ASN A OD1 1 ATOM 297 N ND2 . ASN A 1 72 ? 71.201 18.371 12.836 1.00 72.08 ? 96 ASN A ND2 1 ATOM 298 N N . PHE A 1 73 ? 67.710 22.451 13.890 1.00 66.35 ? 97 PHE A N 1 ATOM 299 C CA . PHE A 1 73 ? 67.246 23.784 14.253 1.00 68.41 ? 97 PHE A CA 1 ATOM 300 C C . PHE A 1 73 ? 65.760 23.766 14.603 1.00 74.63 ? 97 PHE A C 1 ATOM 301 O O . PHE A 1 73 ? 64.924 23.386 13.782 1.00 76.57 ? 97 PHE A O 1 ATOM 302 C CB . PHE A 1 73 ? 67.504 24.769 13.115 1.00 60.74 ? 97 PHE A CB 1 ATOM 303 C CG . PHE A 1 73 ? 67.056 26.170 13.416 1.00 53.16 ? 97 PHE A CG 1 ATOM 304 C CD1 . PHE A 1 73 ? 67.818 26.993 14.228 1.00 50.82 ? 97 PHE A CD1 1 ATOM 305 C CD2 . PHE A 1 73 ? 65.874 26.661 12.893 1.00 50.73 ? 97 PHE A CD2 1 ATOM 306 C CE1 . PHE A 1 73 ? 67.410 28.280 14.510 1.00 47.85 ? 97 PHE A CE1 1 ATOM 307 C CE2 . PHE A 1 73 ? 65.461 27.948 13.170 1.00 47.04 ? 97 PHE A CE2 1 ATOM 308 C CZ . PHE A 1 73 ? 66.231 28.759 13.980 1.00 47.07 ? 97 PHE A CZ 1 ATOM 309 N N . ASP A 1 74 ? 65.441 24.179 15.827 1.00 78.30 ? 98 ASP A N 1 ATOM 310 C CA . ASP A 1 74 ? 64.057 24.249 16.286 1.00 82.09 ? 98 ASP A CA 1 ATOM 311 C C . ASP A 1 74 ? 63.465 25.616 15.976 1.00 81.57 ? 98 ASP A C 1 ATOM 312 O O . ASP A 1 74 ? 63.776 26.601 16.642 1.00 81.76 ? 98 ASP A O 1 ATOM 313 C CB . ASP A 1 74 ? 63.973 23.974 17.790 1.00 83.04 ? 98 ASP A CB 1 ATOM 314 C CG . ASP A 1 74 ? 62.543 23.961 18.305 1.00 86.65 ? 98 ASP A CG 1 ATOM 315 O OD1 . ASP A 1 74 ? 61.606 23.895 17.481 1.00 89.06 ? 98 ASP A OD1 1 ATOM 316 O OD2 . ASP A 1 74 ? 62.356 24.024 19.539 1.00 85.85 ? 98 ASP A OD2 1 ATOM 317 N N . SER A 1 75 ? 62.610 25.667 14.960 1.00 85.66 ? 99 SER A N 1 ATOM 318 C CA . SER A 1 75 ? 62.034 26.926 14.504 1.00 92.30 ? 99 SER A CA 1 ATOM 319 C C . SER A 1 75 ? 61.196 27.595 15.591 1.00 97.46 ? 99 SER A C 1 ATOM 320 O O . SER A 1 75 ? 61.166 28.823 15.694 1.00 97.26 ? 99 SER A O 1 ATOM 321 C CB . SER A 1 75 ? 61.180 26.693 13.256 1.00 95.33 ? 99 SER A CB 1 ATOM 322 O OG . SER A 1 75 ? 60.251 25.643 13.467 1.00 99.45 ? 99 SER A OG 1 ATOM 323 N N . GLU A 1 76 ? 60.517 26.784 16.398 1.00 100.87 ? 100 GLU A N 1 ATOM 324 C CA . GLU A 1 76 ? 59.619 27.302 17.426 1.00 100.48 ? 100 GLU A CA 1 ATOM 325 C C . GLU A 1 76 ? 60.364 28.128 18.472 1.00 90.80 ? 100 GLU A C 1 ATOM 326 O O . GLU A 1 76 ? 59.910 29.205 18.861 1.00 87.67 ? 100 GLU A O 1 ATOM 327 C CB . GLU A 1 76 ? 58.876 26.156 18.113 1.00 106.47 ? 100 GLU A CB 1 ATOM 328 C CG . GLU A 1 76 ? 57.631 26.601 18.861 1.00 108.85 ? 100 GLU A CG 1 ATOM 329 C CD . GLU A 1 76 ? 57.120 25.548 19.823 1.00 107.99 ? 100 GLU A CD 1 ATOM 330 O OE1 . GLU A 1 76 ? 56.567 24.531 19.353 1.00 118.36 ? 100 GLU A OE1 1 ATOM 331 O OE2 . GLU A 1 76 ? 57.272 25.736 21.049 1.00 100.02 ? 100 GLU A OE2 1 ATOM 332 N N . ARG A 1 77 ? 61.511 27.619 18.915 1.00 85.37 ? 101 ARG A N 1 ATOM 333 C CA . ARG A 1 77 ? 62.327 28.298 19.919 1.00 81.43 ? 101 ARG A CA 1 ATOM 334 C C . ARG A 1 77 ? 63.551 28.965 19.299 1.00 73.89 ? 101 ARG A C 1 ATOM 335 O O . ARG A 1 77 ? 64.346 29.589 20.004 1.00 69.95 ? 101 ARG A O 1 ATOM 336 C CB . ARG A 1 77 ? 62.767 27.308 21.002 1.00 83.92 ? 101 ARG A CB 1 ATOM 337 C CG . ARG A 1 77 ? 61.612 26.589 21.688 1.00 88.50 ? 101 ARG A CG 1 ATOM 338 C CD . ARG A 1 77 ? 62.108 25.562 22.692 1.00 89.24 ? 101 ARG A CD 1 ATOM 339 N NE . ARG A 1 77 ? 61.047 25.124 23.597 1.00 93.45 ? 101 ARG A NE 1 ATOM 340 C CZ . ARG A 1 77 ? 60.096 24.249 23.281 1.00 94.33 ? 101 ARG A CZ 1 ATOM 341 N NH1 . ARG A 1 77 ? 60.058 23.701 22.073 1.00 95.20 ? 101 ARG A NH1 1 ATOM 342 N NH2 . ARG A 1 77 ? 59.178 23.919 24.178 1.00 92.69 ? 101 ARG A NH2 1 ATOM 343 N N . SER A 1 78 ? 63.688 28.833 17.981 1.00 72.56 ? 102 SER A N 1 ATOM 344 C CA . SER A 1 78 ? 64.792 29.438 17.240 1.00 62.86 ? 102 SER A CA 1 ATOM 345 C C . SER A 1 78 ? 66.131 29.085 17.876 1.00 55.13 ? 102 SER A C 1 ATOM 346 O O . SER A 1 78 ? 66.967 29.958 18.117 1.00 52.71 ? 102 SER A O 1 ATOM 347 C CB . SER A 1 78 ? 64.616 30.956 17.166 1.00 59.65 ? 102 SER A CB 1 ATOM 348 O OG . SER A 1 78 ? 63.489 31.290 16.374 1.00 61.26 ? 102 SER A OG 1 ATOM 349 N N . THR A 1 79 ? 66.316 27.796 18.148 1.00 54.19 ? 103 THR A N 1 ATOM 350 C CA . THR A 1 79 ? 67.519 27.297 18.806 1.00 51.85 ? 103 THR A CA 1 ATOM 351 C C . THR A 1 79 ? 68.128 26.135 18.030 1.00 53.67 ? 103 THR A C 1 ATOM 352 O O . THR A 1 79 ? 67.415 25.243 17.566 1.00 59.78 ? 103 THR A O 1 ATOM 353 C CB . THR A 1 79 ? 67.217 26.837 20.245 1.00 49.49 ? 103 THR A CB 1 ATOM 354 O OG1 . THR A 1 79 ? 66.512 27.871 20.943 1.00 48.96 ? 103 THR A OG1 1 ATOM 355 C CG2 . THR A 1 79 ? 68.502 26.510 20.987 1.00 49.60 ? 103 THR A CG2 1 ATOM 356 N N . PHE A 1 80 ? 69.450 26.152 17.898 1.00 51.22 ? 104 PHE A N 1 ATOM 357 C CA . PHE A 1 80 ? 70.182 25.064 17.264 1.00 56.07 ? 104 PHE A CA 1 ATOM 358 C C . PHE A 1 80 ? 70.743 24.112 18.313 1.00 60.65 ? 104 PHE A C 1 ATOM 359 O O . PHE A 1 80 ? 71.548 24.513 19.154 1.00 64.50 ? 104 PHE A O 1 ATOM 360 C CB . PHE A 1 80 ? 71.316 25.616 16.399 1.00 59.04 ? 104 PHE A CB 1 ATOM 361 C CG . PHE A 1 80 ? 72.146 24.554 15.739 1.00 60.73 ? 104 PHE A CG 1 ATOM 362 C CD1 . PHE A 1 80 ? 71.702 23.924 14.590 1.00 60.94 ? 104 PHE A CD1 1 ATOM 363 C CD2 . PHE A 1 80 ? 73.368 24.181 16.272 1.00 62.49 ? 104 PHE A CD2 1 ATOM 364 C CE1 . PHE A 1 80 ? 72.464 22.946 13.982 1.00 60.33 ? 104 PHE A CE1 1 ATOM 365 C CE2 . PHE A 1 80 ? 74.134 23.203 15.668 1.00 62.33 ? 104 PHE A CE2 1 ATOM 366 C CZ . PHE A 1 80 ? 73.681 22.584 14.522 1.00 60.70 ? 104 PHE A CZ 1 ATOM 367 N N . ILE A 1 81 ? 70.310 22.854 18.262 1.00 62.41 ? 105 ILE A N 1 ATOM 368 C CA . ILE A 1 81 ? 70.827 21.818 19.153 1.00 61.35 ? 105 ILE A CA 1 ATOM 369 C C . ILE A 1 81 ? 71.815 20.929 18.406 1.00 56.40 ? 105 ILE A C 1 ATOM 370 O O . ILE A 1 81 ? 71.438 20.199 17.489 1.00 57.10 ? 105 ILE A O 1 ATOM 371 C CB . ILE A 1 81 ? 69.693 20.957 19.744 1.00 66.76 ? 105 ILE A CB 1 ATOM 372 C CG1 . ILE A 1 81 ? 68.806 21.800 20.660 1.00 63.47 ? 105 ILE A CG1 1 ATOM 373 C CG2 . ILE A 1 81 ? 70.259 19.790 20.542 1.00 78.35 ? 105 ILE A CG2 1 ATOM 374 C CD1 . ILE A 1 81 ? 67.679 22.514 19.951 1.00 63.18 ? 105 ILE A CD1 1 ATOM 375 N N . ALA A 1 82 ? 73.079 20.992 18.812 1.00 51.49 ? 106 ALA A N 1 ATOM 376 C CA . ALA A 1 82 ? 74.140 20.242 18.151 1.00 56.82 ? 106 ALA A CA 1 ATOM 377 C C . ALA A 1 82 ? 73.874 18.736 18.217 1.00 63.27 ? 106 ALA A C 1 ATOM 378 O O . ALA A 1 82 ? 73.691 18.190 19.305 1.00 68.89 ? 106 ALA A O 1 ATOM 379 C CB . ALA A 1 82 ? 75.483 20.569 18.781 1.00 58.79 ? 106 ALA A CB 1 ATOM 380 N N . PRO A 1 83 ? 73.839 18.060 17.054 1.00 62.89 ? 107 PRO A N 1 ATOM 381 C CA . PRO A 1 83 ? 73.610 16.611 17.039 1.00 68.46 ? 107 PRO A CA 1 ATOM 382 C C . PRO A 1 83 ? 74.837 15.792 17.426 1.00 71.56 ? 107 PRO A C 1 ATOM 383 O O . PRO A 1 83 ? 74.713 14.597 17.695 1.00 76.05 ? 107 PRO A O 1 ATOM 384 C CB . PRO A 1 83 ? 73.231 16.336 15.584 1.00 66.98 ? 107 PRO A CB 1 ATOM 385 C CG . PRO A 1 83 ? 73.933 17.387 14.819 1.00 63.20 ? 107 PRO A CG 1 ATOM 386 C CD . PRO A 1 83 ? 73.923 18.609 15.689 1.00 60.87 ? 107 PRO A CD 1 ATOM 387 N N . ARG A 1 84 ? 76.006 16.421 17.430 1.00 69.82 ? 108 ARG A N 1 ATOM 388 C CA . ARG A 1 84 ? 77.245 15.712 17.719 1.00 72.40 ? 108 ARG A CA 1 ATOM 389 C C . ARG A 1 84 ? 78.372 16.675 18.056 1.00 71.22 ? 108 ARG A C 1 ATOM 390 O O . ARG A 1 84 ? 78.246 17.884 17.870 1.00 72.50 ? 108 ARG A O 1 ATOM 391 C CB . ARG A 1 84 ? 77.646 14.843 16.528 1.00 70.40 ? 108 ARG A CB 1 ATOM 392 C CG . ARG A 1 84 ? 77.899 15.632 15.258 1.00 64.38 ? 108 ARG A CG 1 ATOM 393 C CD . ARG A 1 84 ? 78.136 14.717 14.075 1.00 64.27 ? 108 ARG A CD 1 ATOM 394 N NE . ARG A 1 84 ? 79.356 13.931 14.228 1.00 68.35 ? 108 ARG A NE 1 ATOM 395 C CZ . ARG A 1 84 ? 79.793 13.049 13.335 1.00 74.63 ? 108 ARG A CZ 1 ATOM 396 N NH1 . ARG A 1 84 ? 79.110 12.833 12.218 1.00 74.62 ? 108 ARG A NH1 1 ATOM 397 N NH2 . ARG A 1 84 ? 80.915 12.379 13.559 1.00 80.24 ? 108 ARG A NH2 1 ATOM 398 N N . LYS A 1 85 ? 79.477 16.128 18.551 1.00 70.98 ? 109 LYS A N 1 ATOM 399 C CA . LYS A 1 85 ? 80.640 16.935 18.890 1.00 68.57 ? 109 LYS A CA 1 ATOM 400 C C . LYS A 1 85 ? 81.400 17.336 17.635 1.00 67.41 ? 109 LYS A C 1 ATOM 401 O O . LYS A 1 85 ? 81.755 16.486 16.818 1.00 70.21 ? 109 LYS A O 1 ATOM 402 C CB . LYS A 1 85 ? 81.564 16.177 19.843 1.00 70.58 ? 109 LYS A CB 1 ATOM 403 C CG . LYS A 1 85 ? 82.846 16.921 20.183 1.00 68.86 ? 109 LYS A CG 1 ATOM 404 C CD . LYS A 1 85 ? 83.601 16.233 21.308 1.00 73.29 ? 109 LYS A CD 1 ATOM 405 C CE . LYS A 1 85 ? 85.074 16.605 21.303 1.00 76.02 ? 109 LYS A CE 1 ATOM 406 N NZ . LYS A 1 85 ? 85.876 15.702 22.175 1.00 81.87 ? 109 LYS A NZ 1 ATOM 407 N N . GLY A 1 86 ? 81.644 18.633 17.483 1.00 63.92 ? 110 GLY A N 1 ATOM 408 C CA . GLY A 1 86 ? 82.387 19.138 16.344 1.00 60.14 ? 110 GLY A CA 1 ATOM 409 C C . GLY A 1 86 ? 82.589 20.639 16.400 1.00 57.62 ? 110 GLY A C 1 ATOM 410 O O . GLY A 1 86 ? 82.230 21.289 17.383 1.00 55.32 ? 110 GLY A O 1 ATOM 411 N N . ILE A 1 87 ? 83.169 21.185 15.334 1.00 53.30 ? 111 ILE A N 1 ATOM 412 C CA . ILE A 1 87 ? 83.339 22.626 15.190 1.00 47.72 ? 111 ILE A CA 1 ATOM 413 C C . ILE A 1 87 ? 82.222 23.182 14.318 1.00 45.19 ? 111 ILE A C 1 ATOM 414 O O . ILE A 1 87 ? 82.071 22.786 13.161 1.00 44.82 ? 111 ILE A O 1 ATOM 415 C CB . ILE A 1 87 ? 84.705 22.980 14.565 1.00 47.50 ? 111 ILE A CB 1 ATOM 416 C CG1 . ILE A 1 87 ? 85.853 22.476 15.444 1.00 44.19 ? 111 ILE A CG1 1 ATOM 417 C CG2 . ILE A 1 87 ? 84.828 24.487 14.334 1.00 51.61 ? 111 ILE A CG2 1 ATOM 418 C CD1 . ILE A 1 87 ? 85.879 23.061 16.846 1.00 41.85 ? 111 ILE A CD1 1 ATOM 419 N N . TYR A 1 88 ? 81.450 24.107 14.879 1.00 42.67 ? 112 TYR A N 1 ATOM 420 C CA . TYR A 1 88 ? 80.326 24.703 14.172 1.00 42.22 ? 112 TYR A CA 1 ATOM 421 C C . TYR A 1 88 ? 80.602 26.163 13.836 1.00 42.31 ? 112 TYR A C 1 ATOM 422 O O . TYR A 1 88 ? 81.262 26.872 14.597 1.00 42.73 ? 112 TYR A O 1 ATOM 423 C CB . TYR A 1 88 ? 79.051 24.593 15.007 1.00 43.00 ? 112 TYR A CB 1 ATOM 424 C CG . TYR A 1 88 ? 78.579 23.173 15.214 1.00 47.25 ? 112 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 88 ? 79.135 22.373 16.201 1.00 51.04 ? 112 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 88 ? 77.577 22.633 14.420 1.00 48.22 ? 112 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 88 ? 78.707 21.075 16.393 1.00 54.02 ? 112 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 88 ? 77.142 21.337 14.604 1.00 49.80 ? 112 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 88 ? 77.710 20.563 15.593 1.00 55.35 ? 112 TYR A CZ 1 ATOM 430 O OH . TYR A 1 88 ? 77.280 19.270 15.780 1.00 61.39 ? 112 TYR A OH 1 ATOM 431 N N . SER A 1 89 ? 80.097 26.595 12.685 1.00 39.15 ? 113 SER A N 1 ATOM 432 C CA . SER A 1 89 ? 80.164 27.991 12.279 1.00 36.70 ? 113 SER A CA 1 ATOM 433 C C . SER A 1 89 ? 78.814 28.650 12.505 1.00 39.32 ? 113 SER A C 1 ATOM 434 O O . SER A 1 89 ? 77.774 28.031 12.291 1.00 42.25 ? 113 SER A O 1 ATOM 435 C CB . SER A 1 89 ? 80.566 28.111 10.809 1.00 40.15 ? 113 SER A CB 1 ATOM 436 O OG . SER A 1 89 ? 80.401 29.438 10.342 1.00 44.32 ? 113 SER A OG 1 ATOM 437 N N . PHE A 1 90 ? 78.836 29.901 12.952 1.00 39.58 ? 114 PHE A N 1 ATOM 438 C CA . PHE A 1 90 ? 77.608 30.660 13.152 1.00 38.91 ? 114 PHE A CA 1 ATOM 439 C C . PHE A 1 90 ? 77.750 32.082 12.630 1.00 40.40 ? 114 PHE A C 1 ATOM 440 O O . PHE A 1 90 ? 78.803 32.709 12.764 1.00 41.37 ? 114 PHE A O 1 ATOM 441 C CB . PHE A 1 90 ? 77.224 30.685 14.631 1.00 38.14 ? 114 PHE A CB 1 ATOM 442 C CG . PHE A 1 90 ? 76.805 29.347 15.170 1.00 42.21 ? 114 PHE A CG 1 ATOM 443 C CD1 . PHE A 1 90 ? 75.522 28.872 14.959 1.00 44.34 ? 114 PHE A CD1 1 ATOM 444 C CD2 . PHE A 1 90 ? 77.691 28.569 15.893 1.00 45.45 ? 114 PHE A CD2 1 ATOM 445 C CE1 . PHE A 1 90 ? 75.132 27.641 15.456 1.00 47.07 ? 114 PHE A CE1 1 ATOM 446 C CE2 . PHE A 1 90 ? 77.307 27.338 16.392 1.00 49.00 ? 114 PHE A CE2 1 ATOM 447 C CZ . PHE A 1 90 ? 76.026 26.874 16.173 1.00 49.04 ? 114 PHE A CZ 1 ATOM 448 N N . ASN A 1 91 ? 76.672 32.573 12.032 1.00 40.03 ? 115 ASN A N 1 ATOM 449 C CA . ASN A 1 91 ? 76.587 33.945 11.558 1.00 38.09 ? 115 ASN A CA 1 ATOM 450 C C . ASN A 1 91 ? 75.186 34.479 11.787 1.00 30.94 ? 115 ASN A C 1 ATOM 451 O O . ASN A 1 91 ? 74.211 33.740 11.659 1.00 35.51 ? 115 ASN A O 1 ATOM 452 C CB . ASN A 1 91 ? 76.946 34.032 10.077 1.00 47.50 ? 115 ASN A CB 1 ATOM 453 C CG . ASN A 1 91 ? 78.412 33.786 9.822 1.00 60.46 ? 115 ASN A CG 1 ATOM 454 O OD1 . ASN A 1 91 ? 79.232 34.698 9.934 1.00 66.10 ? 115 ASN A OD1 1 ATOM 455 N ND2 . ASN A 1 91 ? 78.756 32.548 9.477 1.00 66.02 ? 115 ASN A ND2 1 ATOM 456 N N . PHE A 1 92 ? 75.082 35.754 12.144 1.00 23.47 ? 116 PHE A N 1 ATOM 457 C CA . PHE A 1 92 ? 73.777 36.376 12.307 1.00 27.45 ? 116 PHE A CA 1 ATOM 458 C C . PHE A 1 92 ? 73.813 37.852 11.935 1.00 28.62 ? 116 PHE A C 1 ATOM 459 O O . PHE A 1 92 ? 74.805 38.542 12.171 1.00 27.05 ? 116 PHE A O 1 ATOM 460 C CB . PHE A 1 92 ? 73.269 36.204 13.745 1.00 30.68 ? 116 PHE A CB 1 ATOM 461 C CG . PHE A 1 92 ? 74.057 36.974 14.769 1.00 29.39 ? 116 PHE A CG 1 ATOM 462 C CD1 . PHE A 1 92 ? 73.727 38.283 15.077 1.00 27.92 ? 116 PHE A CD1 1 ATOM 463 C CD2 . PHE A 1 92 ? 75.119 36.384 15.431 1.00 23.74 ? 116 PHE A CD2 1 ATOM 464 C CE1 . PHE A 1 92 ? 74.448 38.990 16.019 1.00 28.83 ? 116 PHE A CE1 1 ATOM 465 C CE2 . PHE A 1 92 ? 75.841 37.087 16.374 1.00 24.17 ? 116 PHE A CE2 1 ATOM 466 C CZ . PHE A 1 92 ? 75.505 38.390 16.669 1.00 27.49 ? 116 PHE A CZ 1 ATOM 467 N N . HIS A 1 93 ? 72.729 38.313 11.320 1.00 28.56 ? 117 HIS A N 1 ATOM 468 C CA . HIS A 1 93 ? 72.520 39.728 11.050 1.00 33.58 ? 117 HIS A CA 1 ATOM 469 C C . HIS A 1 93 ? 71.135 40.101 11.543 1.00 33.73 ? 117 HIS A C 1 ATOM 470 O O . HIS A 1 93 ? 70.139 39.630 11.001 1.00 39.17 ? 117 HIS A O 1 ATOM 471 C CB . HIS A 1 93 ? 72.656 40.045 9.557 1.00 42.83 ? 117 HIS A CB 1 ATOM 472 C CG . HIS A 1 93 ? 73.981 39.668 8.970 1.00 54.82 ? 117 HIS A CG 1 ATOM 473 N ND1 . HIS A 1 93 ? 74.937 40.602 8.632 1.00 54.49 ? 117 HIS A ND1 1 ATOM 474 C CD2 . HIS A 1 93 ? 74.508 38.459 8.656 1.00 57.92 ? 117 HIS A CD2 1 ATOM 475 C CE1 . HIS A 1 93 ? 75.997 39.986 8.139 1.00 55.64 ? 117 HIS A CE1 1 ATOM 476 N NE2 . HIS A 1 93 ? 75.762 38.686 8.141 1.00 56.08 ? 117 HIS A NE2 1 ATOM 477 N N . VAL A 1 94 ? 71.075 40.926 12.582 1.00 29.78 ? 118 VAL A N 1 ATOM 478 C CA . VAL A 1 94 ? 69.801 41.390 13.120 1.00 31.15 ? 118 VAL A CA 1 ATOM 479 C C . VAL A 1 94 ? 69.552 42.821 12.665 1.00 30.72 ? 118 VAL A C 1 ATOM 480 O O . VAL A 1 94 ? 70.216 43.752 13.115 1.00 31.41 ? 118 VAL A O 1 ATOM 481 C CB . VAL A 1 94 ? 69.771 41.306 14.658 1.00 34.92 ? 118 VAL A CB 1 ATOM 482 C CG1 . VAL A 1 94 ? 68.495 41.923 15.214 1.00 35.64 ? 118 VAL A CG1 1 ATOM 483 C CG2 . VAL A 1 94 ? 69.899 39.858 15.104 1.00 34.12 ? 118 VAL A CG2 1 ATOM 484 N N . VAL A 1 95 ? 68.581 42.984 11.774 1.00 33.00 ? 119 VAL A N 1 ATOM 485 C CA . VAL A 1 95 ? 68.288 44.278 11.178 1.00 36.33 ? 119 VAL A CA 1 ATOM 486 C C . VAL A 1 95 ? 67.147 44.963 11.915 1.00 41.23 ? 119 VAL A C 1 ATOM 487 O O . VAL A 1 95 ? 66.049 44.418 11.996 1.00 44.20 ? 119 VAL A O 1 ATOM 488 C CB . VAL A 1 95 ? 67.898 44.131 9.694 1.00 34.09 ? 119 VAL A CB 1 ATOM 489 C CG1 . VAL A 1 95 ? 67.751 45.496 9.038 1.00 38.09 ? 119 VAL A CG1 1 ATOM 490 C CG2 . VAL A 1 95 ? 68.922 43.289 8.953 1.00 33.07 ? 119 VAL A CG2 1 ATOM 491 N N . LYS A 1 96 ? 67.402 46.157 12.441 1.00 40.59 ? 120 LYS A N 1 ATOM 492 C CA . LYS A 1 96 ? 66.375 46.900 13.160 1.00 43.21 ? 120 LYS A CA 1 ATOM 493 C C . LYS A 1 96 ? 66.071 48.220 12.468 1.00 47.24 ? 120 LYS A C 1 ATOM 494 O O . LYS A 1 96 ? 66.798 48.648 11.571 1.00 50.89 ? 120 LYS A O 1 ATOM 495 C CB . LYS A 1 96 ? 66.784 47.168 14.607 1.00 44.97 ? 120 LYS A CB 1 ATOM 496 C CG . LYS A 1 96 ? 67.914 48.161 14.774 1.00 46.01 ? 120 LYS A CG 1 ATOM 497 C CD . LYS A 1 96 ? 67.889 48.773 16.160 1.00 52.13 ? 120 LYS A CD 1 ATOM 498 C CE . LYS A 1 96 ? 68.130 50.267 16.084 1.00 57.62 ? 120 LYS A CE 1 ATOM 499 N NZ . LYS A 1 96 ? 67.602 50.984 17.260 1.00 61.66 ? 120 LYS A NZ 1 ATOM 500 N N . VAL A 1 97 ? 64.987 48.853 12.902 1.00 51.70 ? 121 VAL A N 1 ATOM 501 C CA . VAL A 1 97 ? 64.569 50.151 12.385 1.00 53.67 ? 121 VAL A CA 1 ATOM 502 C C . VAL A 1 97 ? 64.583 51.200 13.495 1.00 58.83 ? 121 VAL A C 1 ATOM 503 O O . VAL A 1 97 ? 64.801 50.877 14.664 1.00 57.93 ? 121 VAL A O 1 ATOM 504 C CB . VAL A 1 97 ? 63.158 50.084 11.769 1.00 49.65 ? 121 VAL A CB 1 ATOM 505 C CG1 . VAL A 1 97 ? 63.218 49.473 10.381 1.00 47.01 ? 121 VAL A CG1 1 ATOM 506 C CG2 . VAL A 1 97 ? 62.215 49.292 12.664 1.00 49.31 ? 121 VAL A CG2 1 ATOM 507 N N . TYR A 1 98 ? 64.358 52.456 13.120 1.00 63.42 ? 122 TYR A N 1 ATOM 508 C CA . TYR A 1 98 ? 64.337 53.557 14.077 1.00 72.29 ? 122 TYR A CA 1 ATOM 509 C C . TYR A 1 98 ? 63.237 53.346 15.111 1.00 80.69 ? 122 TYR A C 1 ATOM 510 O O . TYR A 1 98 ? 62.052 53.414 14.787 1.00 83.47 ? 122 TYR A O 1 ATOM 511 C CB . TYR A 1 98 ? 64.134 54.884 13.340 1.00 78.84 ? 122 TYR A CB 1 ATOM 512 C CG . TYR A 1 98 ? 64.020 56.096 14.239 1.00 90.08 ? 122 TYR A CG 1 ATOM 513 C CD1 . TYR A 1 98 ? 65.133 56.621 14.883 1.00 94.55 ? 122 TYR A CD1 1 ATOM 514 C CD2 . TYR A 1 98 ? 62.795 56.726 14.430 1.00 95.56 ? 122 TYR A CD2 1 ATOM 515 C CE1 . TYR A 1 98 ? 65.026 57.734 15.701 1.00 99.41 ? 122 TYR A CE1 1 ATOM 516 C CE2 . TYR A 1 98 ? 62.679 57.836 15.243 1.00 99.35 ? 122 TYR A CE2 1 ATOM 517 C CZ . TYR A 1 98 ? 63.796 58.336 15.876 1.00 101.17 ? 122 TYR A CZ 1 ATOM 518 O OH . TYR A 1 98 ? 63.680 59.443 16.687 1.00 101.68 ? 122 TYR A OH 1 ATOM 519 N N . ASN A 1 99 ? 63.642 53.074 16.351 1.00 87.06 ? 123 ASN A N 1 ATOM 520 C CA . ASN A 1 99 ? 62.700 52.817 17.438 1.00 93.19 ? 123 ASN A CA 1 ATOM 521 C C . ASN A 1 99 ? 63.074 53.488 18.764 1.00 94.56 ? 123 ASN A C 1 ATOM 522 O O . ASN A 1 99 ? 62.616 53.055 19.822 1.00 97.84 ? 123 ASN A O 1 ATOM 523 C CB . ASN A 1 99 ? 62.548 51.310 17.656 1.00 96.87 ? 123 ASN A CB 1 ATOM 524 C CG . ASN A 1 99 ? 63.864 50.623 17.934 1.00 99.39 ? 123 ASN A CG 1 ATOM 525 O OD1 . ASN A 1 99 ? 64.930 51.230 17.836 1.00 103.47 ? 123 ASN A OD1 1 ATOM 526 N ND2 . ASN A 1 99 ? 63.796 49.347 18.297 1.00 97.54 ? 123 ASN A ND2 1 ATOM 527 N N . ARG A 1 100 ? 63.939 54.500 18.708 1.00 91.95 ? 124 ARG A N 1 ATOM 528 C CA . ARG A 1 100 ? 64.359 55.264 19.893 1.00 91.38 ? 124 ARG A CA 1 ATOM 529 C C . ARG A 1 100 ? 65.292 54.451 20.799 1.00 86.06 ? 124 ARG A C 1 ATOM 530 O O . ARG A 1 100 ? 65.628 54.887 21.903 1.00 88.40 ? 124 ARG A O 1 ATOM 531 C CB . ARG A 1 100 ? 63.142 55.738 20.702 1.00 95.55 ? 124 ARG A CB 1 ATOM 532 C CG . ARG A 1 100 ? 62.129 56.535 19.896 1.00 100.21 ? 124 ARG A CG 1 ATOM 533 C CD . ARG A 1 100 ? 62.126 58.008 20.268 1.00 106.77 ? 124 ARG A CD 1 ATOM 534 N NE . ARG A 1 100 ? 61.534 58.815 19.205 1.00 109.02 ? 124 ARG A NE 1 ATOM 535 C CZ . ARG A 1 100 ? 61.287 60.118 19.294 1.00 111.44 ? 124 ARG A CZ 1 ATOM 536 N NH1 . ARG A 1 100 ? 61.577 60.784 20.405 1.00 111.89 ? 124 ARG A NH1 1 ATOM 537 N NH2 . ARG A 1 100 ? 60.746 60.756 18.265 1.00 111.92 ? 124 ARG A NH2 1 ATOM 538 N N . GLN A 1 101 ? 65.709 53.279 20.324 1.00 75.90 ? 125 GLN A N 1 ATOM 539 C CA . GLN A 1 101 ? 66.551 52.369 21.100 1.00 66.48 ? 125 GLN A CA 1 ATOM 540 C C . GLN A 1 101 ? 67.819 51.949 20.377 1.00 58.60 ? 125 GLN A C 1 ATOM 541 O O . GLN A 1 101 ? 67.849 51.866 19.156 1.00 59.81 ? 125 GLN A O 1 ATOM 542 C CB . GLN A 1 101 ? 65.765 51.113 21.473 1.00 63.97 ? 125 GLN A CB 1 ATOM 543 C CG . GLN A 1 101 ? 64.686 51.336 22.508 1.00 65.16 ? 125 GLN A CG 1 ATOM 544 C CD . GLN A 1 101 ? 65.241 51.367 23.920 1.00 66.97 ? 125 GLN A CD 1 ATOM 545 O OE1 . GLN A 1 101 ? 66.367 50.934 24.166 1.00 68.46 ? 125 GLN A OE1 1 ATOM 546 N NE2 . GLN A 1 101 ? 64.448 51.867 24.859 1.00 69.83 ? 125 GLN A NE2 1 ATOM 547 N N . THR A 1 102 ? 68.870 51.713 21.155 1.00 55.78 ? 126 THR A N 1 ATOM 548 C CA . THR A 1 102 ? 70.078 51.063 20.667 1.00 50.66 ? 126 THR A CA 1 ATOM 549 C C . THR A 1 102 ? 70.073 49.641 21.208 1.00 47.43 ? 126 THR A C 1 ATOM 550 O O . THR A 1 102 ? 69.699 49.421 22.360 1.00 55.61 ? 126 THR A O 1 ATOM 551 C CB . THR A 1 102 ? 71.349 51.793 21.113 1.00 54.32 ? 126 THR A CB 1 ATOM 552 O OG1 . THR A 1 102 ? 71.532 51.612 22.522 1.00 60.64 ? 126 THR A OG1 1 ATOM 553 C CG2 . THR A 1 102 ? 71.254 53.279 20.799 1.00 55.52 ? 126 THR A CG2 1 ATOM 554 N N . ILE A 1 103 ? 70.485 48.681 20.388 1.00 42.14 ? 127 ILE A N 1 ATOM 555 C CA . ILE A 1 103 ? 70.380 47.273 20.757 1.00 43.43 ? 127 ILE A CA 1 ATOM 556 C C . ILE A 1 103 ? 71.733 46.580 20.879 1.00 44.01 ? 127 ILE A C 1 ATOM 557 O O . ILE A 1 103 ? 72.755 47.081 20.406 1.00 45.20 ? 127 ILE A O 1 ATOM 558 C CB . ILE A 1 103 ? 69.526 46.490 19.735 1.00 43.37 ? 127 ILE A CB 1 ATOM 559 C CG1 . ILE A 1 103 ? 70.205 46.468 18.359 1.00 39.87 ? 127 ILE A CG1 1 ATOM 560 C CG2 . ILE A 1 103 ? 68.135 47.102 19.642 1.00 48.61 ? 127 ILE A CG2 1 ATOM 561 C CD1 . ILE A 1 103 ? 69.542 45.542 17.364 1.00 38.90 ? 127 ILE A CD1 1 ATOM 562 N N . GLN A 1 104 ? 71.716 45.420 21.525 1.00 39.44 ? 128 GLN A N 1 ATOM 563 C CA . GLN A 1 104 ? 72.871 44.539 21.575 1.00 38.95 ? 128 GLN A CA 1 ATOM 564 C C . GLN A 1 104 ? 72.389 43.104 21.446 1.00 39.21 ? 128 GLN A C 1 ATOM 565 O O . GLN A 1 104 ? 71.630 42.617 22.284 1.00 41.92 ? 128 GLN A O 1 ATOM 566 C CB . GLN A 1 104 ? 73.659 44.718 22.871 1.00 38.41 ? 128 GLN A CB 1 ATOM 567 C CG . GLN A 1 104 ? 74.799 43.725 23.040 1.00 41.18 ? 128 GLN A CG 1 ATOM 568 C CD . GLN A 1 104 ? 75.551 43.912 24.339 1.00 46.99 ? 128 GLN A CD 1 ATOM 569 O OE1 . GLN A 1 104 ? 75.399 44.926 25.022 1.00 53.12 ? 128 GLN A OE1 1 ATOM 570 N NE2 . GLN A 1 104 ? 76.365 42.927 24.692 1.00 46.38 ? 128 GLN A NE2 1 ATOM 571 N N . VAL A 1 105 ? 72.830 42.433 20.390 1.00 35.74 ? 129 VAL A N 1 ATOM 572 C CA . VAL A 1 105 ? 72.482 41.039 20.165 1.00 35.83 ? 129 VAL A CA 1 ATOM 573 C C . VAL A 1 105 ? 73.676 40.178 20.515 1.00 39.64 ? 129 VAL A C 1 ATOM 574 O O . VAL A 1 105 ? 74.805 40.499 20.145 1.00 40.05 ? 129 VAL A O 1 ATOM 575 C CB . VAL A 1 105 ? 72.067 40.780 18.709 1.00 36.68 ? 129 VAL A CB 1 ATOM 576 C CG1 . VAL A 1 105 ? 71.698 39.317 18.514 1.00 37.02 ? 129 VAL A CG1 1 ATOM 577 C CG2 . VAL A 1 105 ? 70.911 41.686 18.321 1.00 27.76 ? 129 VAL A CG2 1 ATOM 578 N N . SER A 1 106 ? 73.423 39.091 21.234 1.00 39.00 ? 130 SER A N 1 ATOM 579 C CA . SER A 1 106 ? 74.475 38.153 21.599 1.00 37.64 ? 130 SER A CA 1 ATOM 580 C C . SER A 1 106 ? 74.136 36.730 21.176 1.00 32.84 ? 130 SER A C 1 ATOM 581 O O . SER A 1 106 ? 72.998 36.280 21.314 1.00 30.05 ? 130 SER A O 1 ATOM 582 C CB . SER A 1 106 ? 74.728 38.207 23.105 1.00 41.73 ? 130 SER A CB 1 ATOM 583 O OG . SER A 1 106 ? 75.511 39.336 23.448 1.00 44.26 ? 130 SER A OG 1 ATOM 584 N N . LEU A 1 107 ? 75.138 36.031 20.653 1.00 29.90 ? 131 LEU A N 1 ATOM 585 C CA . LEU A 1 107 ? 75.018 34.609 20.378 1.00 34.04 ? 131 LEU A CA 1 ATOM 586 C C . LEU A 1 107 ? 75.215 33.852 21.677 1.00 41.83 ? 131 LEU A C 1 ATOM 587 O O . LEU A 1 107 ? 76.245 33.997 22.339 1.00 47.26 ? 131 LEU A O 1 ATOM 588 C CB . LEU A 1 107 ? 76.042 34.156 19.339 1.00 36.65 ? 131 LEU A CB 1 ATOM 589 C CG . LEU A 1 107 ? 76.134 32.644 19.116 1.00 38.65 ? 131 LEU A CG 1 ATOM 590 C CD1 . LEU A 1 107 ? 74.824 32.098 18.580 1.00 35.70 ? 131 LEU A CD1 1 ATOM 591 C CD2 . LEU A 1 107 ? 77.283 32.311 18.178 1.00 44.54 ? 131 LEU A CD2 1 ATOM 592 N N . MET A 1 108 ? 74.222 33.050 22.039 1.00 41.40 ? 132 MET A N 1 ATOM 593 C CA . MET A 1 108 ? 74.224 32.355 23.315 1.00 38.58 ? 132 MET A CA 1 ATOM 594 C C . MET A 1 108 ? 74.609 30.895 23.132 1.00 45.81 ? 132 MET A C 1 ATOM 595 O O . MET A 1 108 ? 74.222 30.265 22.149 1.00 47.78 ? 132 MET A O 1 ATOM 596 C CB . MET A 1 108 ? 72.847 32.471 23.968 1.00 37.89 ? 132 MET A CB 1 ATOM 597 C CG . MET A 1 108 ? 72.514 33.895 24.367 1.00 34.55 ? 132 MET A CG 1 ATOM 598 S SD . MET A 1 108 ? 73.557 34.461 25.720 1.00 51.07 ? 132 MET A SD 1 ATOM 599 C CE . MET A 1 108 ? 73.257 36.220 25.667 1.00 116.15 ? 132 MET A CE 1 ATOM 600 N N . LEU A 1 109 ? 75.386 30.373 24.078 1.00 46.93 ? 133 LEU A N 1 ATOM 601 C CA . LEU A 1 109 ? 75.720 28.952 24.119 1.00 47.95 ? 133 LEU A CA 1 ATOM 602 C C . LEU A 1 109 ? 75.397 28.394 25.496 1.00 47.52 ? 133 LEU A C 1 ATOM 603 O O . LEU A 1 109 ? 76.130 28.629 26.457 1.00 46.35 ? 133 LEU A O 1 ATOM 604 C CB . LEU A 1 109 ? 77.196 28.723 23.785 1.00 49.98 ? 133 LEU A CB 1 ATOM 605 C CG . LEU A 1 109 ? 77.677 27.269 23.830 1.00 51.75 ? 133 LEU A CG 1 ATOM 606 C CD1 . LEU A 1 109 ? 76.888 26.395 22.866 1.00 51.94 ? 133 LEU A CD1 1 ATOM 607 C CD2 . LEU A 1 109 ? 79.163 27.187 23.524 1.00 54.23 ? 133 LEU A CD2 1 ATOM 608 N N . ASN A 1 110 ? 74.296 27.653 25.581 1.00 48.84 ? 134 ASN A N 1 ATOM 609 C CA . ASN A 1 110 ? 73.818 27.113 26.848 1.00 51.92 ? 134 ASN A CA 1 ATOM 610 C C . ASN A 1 110 ? 73.638 28.225 27.874 1.00 51.21 ? 134 ASN A C 1 ATOM 611 O O . ASN A 1 110 ? 74.075 28.109 29.018 1.00 50.45 ? 134 ASN A O 1 ATOM 612 C CB . ASN A 1 110 ? 74.778 26.047 27.380 1.00 49.41 ? 134 ASN A CB 1 ATOM 613 C CG . ASN A 1 110 ? 74.937 24.879 26.426 1.00 51.85 ? 134 ASN A CG 1 ATOM 614 O OD1 . ASN A 1 110 ? 74.092 24.651 25.562 1.00 56.84 ? 134 ASN A OD1 1 ATOM 615 N ND2 . ASN A 1 110 ? 76.025 24.133 26.577 1.00 53.17 ? 134 ASN A ND2 1 ATOM 616 N N . GLY A 1 111 ? 72.995 29.309 27.447 1.00 53.60 ? 135 GLY A N 1 ATOM 617 C CA . GLY A 1 111 ? 72.685 30.414 28.334 1.00 53.57 ? 135 GLY A CA 1 ATOM 618 C C . GLY A 1 111 ? 73.849 31.344 28.619 1.00 49.98 ? 135 GLY A C 1 ATOM 619 O O . GLY A 1 111 ? 73.735 32.227 29.468 1.00 55.93 ? 135 GLY A O 1 ATOM 620 N N . TRP A 1 112 ? 74.964 31.152 27.920 1.00 44.42 ? 136 TRP A N 1 ATOM 621 C CA . TRP A 1 112 ? 76.134 32.002 28.114 1.00 43.33 ? 136 TRP A CA 1 ATOM 622 C C . TRP A 1 112 ? 76.497 32.724 26.820 1.00 44.06 ? 136 TRP A C 1 ATOM 623 O O . TRP A 1 112 ? 76.498 32.115 25.750 1.00 45.65 ? 136 TRP A O 1 ATOM 624 C CB . TRP A 1 112 ? 77.316 31.167 28.601 1.00 50.86 ? 136 TRP A CB 1 ATOM 625 C CG . TRP A 1 112 ? 77.076 30.588 29.955 1.00 56.87 ? 136 TRP A CG 1 ATOM 626 C CD1 . TRP A 1 112 ? 77.072 29.266 30.290 1.00 58.60 ? 136 TRP A CD1 1 ATOM 627 C CD2 . TRP A 1 112 ? 76.776 31.308 31.154 1.00 58.73 ? 136 TRP A CD2 1 ATOM 628 N NE1 . TRP A 1 112 ? 76.795 29.118 31.627 1.00 61.41 ? 136 TRP A NE1 1 ATOM 629 C CE2 . TRP A 1 112 ? 76.610 30.357 32.181 1.00 58.46 ? 136 TRP A CE2 1 ATOM 630 C CE3 . TRP A 1 112 ? 76.636 32.664 31.462 1.00 58.99 ? 136 TRP A CE3 1 ATOM 631 C CZ2 . TRP A 1 112 ? 76.313 30.720 33.491 1.00 55.92 ? 136 TRP A CZ2 1 ATOM 632 C CZ3 . TRP A 1 112 ? 76.342 33.021 32.764 1.00 60.35 ? 136 TRP A CZ3 1 ATOM 633 C CH2 . TRP A 1 112 ? 76.182 32.053 33.761 1.00 57.21 ? 136 TRP A CH2 1 ATOM 634 N N . PRO A 1 113 ? 76.807 34.027 26.909 1.00 44.17 ? 137 PRO A N 1 ATOM 635 C CA . PRO A 1 113 ? 77.146 34.764 25.688 1.00 41.19 ? 137 PRO A CA 1 ATOM 636 C C . PRO A 1 113 ? 78.522 34.389 25.144 1.00 42.60 ? 137 PRO A C 1 ATOM 637 O O . PRO A 1 113 ? 79.470 34.248 25.918 1.00 44.91 ? 137 PRO A O 1 ATOM 638 C CB . PRO A 1 113 ? 77.115 36.223 26.145 1.00 40.94 ? 137 PRO A CB 1 ATOM 639 C CG . PRO A 1 113 ? 77.473 36.164 27.582 1.00 44.33 ? 137 PRO A CG 1 ATOM 640 C CD . PRO A 1 113 ? 76.869 34.889 28.103 1.00 44.34 ? 137 PRO A CD 1 ATOM 641 N N . VAL A 1 114 ? 78.615 34.234 23.827 1.00 44.93 ? 138 VAL A N 1 ATOM 642 C CA . VAL A 1 114 ? 79.879 33.943 23.155 1.00 42.12 ? 138 VAL A CA 1 ATOM 643 C C . VAL A 1 114 ? 80.410 35.189 22.447 1.00 41.98 ? 138 VAL A C 1 ATOM 644 O O . VAL A 1 114 ? 81.536 35.621 22.694 1.00 41.63 ? 138 VAL A O 1 ATOM 645 C CB . VAL A 1 114 ? 79.712 32.794 22.140 1.00 40.45 ? 138 VAL A CB 1 ATOM 646 C CG1 . VAL A 1 114 ? 81.026 32.477 21.450 1.00 44.61 ? 138 VAL A CG1 1 ATOM 647 C CG2 . VAL A 1 114 ? 79.172 31.555 22.833 1.00 40.96 ? 138 VAL A CG2 1 ATOM 648 N N . ILE A 1 115 ? 79.587 35.757 21.567 1.00 41.43 ? 139 ILE A N 1 ATOM 649 C CA . ILE A 1 115 ? 79.938 36.977 20.843 1.00 44.22 ? 139 ILE A CA 1 ATOM 650 C C . ILE A 1 115 ? 78.763 37.941 20.873 1.00 41.87 ? 139 ILE A C 1 ATOM 651 O O . ILE A 1 115 ? 77.629 37.532 21.123 1.00 42.79 ? 139 ILE A O 1 ATOM 652 C CB . ILE A 1 115 ? 80.319 36.695 19.379 1.00 49.68 ? 139 ILE A CB 1 ATOM 653 C CG1 . ILE A 1 115 ? 79.167 35.979 18.663 1.00 54.99 ? 139 ILE A CG1 1 ATOM 654 C CG2 . ILE A 1 115 ? 81.602 35.877 19.322 1.00 51.98 ? 139 ILE A CG2 1 ATOM 655 C CD1 . ILE A 1 115 ? 79.403 35.734 17.186 1.00 56.77 ? 139 ILE A CD1 1 ATOM 656 N N . SER A 1 116 ? 79.037 39.214 20.601 1.00 40.66 ? 140 SER A N 1 ATOM 657 C CA . SER A 1 116 ? 78.002 40.241 20.617 1.00 38.87 ? 140 SER A CA 1 ATOM 658 C C . SER A 1 116 ? 78.107 41.181 19.425 1.00 35.43 ? 140 SER A C 1 ATOM 659 O O . SER A 1 116 ? 79.169 41.325 18.822 1.00 35.34 ? 140 SER A O 1 ATOM 660 C CB . SER A 1 116 ? 78.082 41.049 21.913 1.00 40.42 ? 140 SER A CB 1 ATOM 661 O OG . SER A 1 116 ? 77.885 40.219 23.044 1.00 42.51 ? 140 SER A OG 1 ATOM 662 N N . ALA A 1 117 ? 76.989 41.821 19.102 1.00 35.52 ? 141 ALA A N 1 ATOM 663 C CA . ALA A 1 117 ? 76.943 42.822 18.046 1.00 35.50 ? 141 ALA A CA 1 ATOM 664 C C . ALA A 1 117 ? 76.061 43.981 18.491 1.00 33.35 ? 141 ALA A C 1 ATOM 665 O O . ALA A 1 117 ? 75.197 43.814 19.351 1.00 32.91 ? 141 ALA A O 1 ATOM 666 C CB . ALA A 1 117 ? 76.425 42.214 16.758 1.00 38.99 ? 141 ALA A CB 1 ATOM 667 N N . PHE A 1 118 ? 76.285 45.153 17.904 1.00 33.94 ? 142 PHE A N 1 ATOM 668 C CA . PHE A 1 118 ? 75.582 46.366 18.304 1.00 34.81 ? 142 PHE A CA 1 ATOM 669 C C . PHE A 1 118 ? 75.010 47.100 17.098 1.00 35.02 ? 142 PHE A C 1 ATOM 670 O O . PHE A 1 118 ? 75.422 46.863 15.966 1.00 36.63 ? 142 PHE A O 1 ATOM 671 C CB . PHE A 1 118 ? 76.521 47.292 19.079 1.00 37.27 ? 142 PHE A CB 1 ATOM 672 C CG . PHE A 1 118 ? 77.156 46.647 20.280 1.00 39.65 ? 142 PHE A CG 1 ATOM 673 C CD1 . PHE A 1 118 ? 78.280 45.850 20.142 1.00 38.61 ? 142 PHE A CD1 1 ATOM 674 C CD2 . PHE A 1 118 ? 76.627 46.838 21.547 1.00 45.04 ? 142 PHE A CD2 1 ATOM 675 C CE1 . PHE A 1 118 ? 78.866 45.256 21.243 1.00 41.13 ? 142 PHE A CE1 1 ATOM 676 C CE2 . PHE A 1 118 ? 77.208 46.247 22.652 1.00 45.18 ? 142 PHE A CE2 1 ATOM 677 C CZ . PHE A 1 118 ? 78.328 45.454 22.500 1.00 46.21 ? 142 PHE A CZ 1 ATOM 678 N N . ALA A 1 119 ? 74.056 47.990 17.353 1.00 40.45 ? 143 ALA A N 1 ATOM 679 C CA . ALA A 1 119 ? 73.442 48.790 16.300 1.00 44.82 ? 143 ALA A CA 1 ATOM 680 C C . ALA A 1 119 ? 72.901 50.096 16.873 1.00 53.18 ? 143 ALA A C 1 ATOM 681 O O . ALA A 1 119 ? 72.118 50.085 17.821 1.00 52.53 ? 143 ALA A O 1 ATOM 682 C CB . ALA A 1 119 ? 72.333 48.009 15.621 1.00 39.18 ? 143 ALA A CB 1 ATOM 683 N N . GLY A 1 120 ? 73.317 51.219 16.293 1.00 63.35 ? 144 GLY A N 1 ATOM 684 C CA . GLY A 1 120 ? 72.910 52.524 16.786 1.00 77.49 ? 144 GLY A CA 1 ATOM 685 C C . GLY A 1 120 ? 71.483 52.844 16.388 1.00 90.03 ? 144 GLY A C 1 ATOM 686 O O . GLY A 1 120 ? 70.796 51.993 15.830 1.00 91.05 ? 144 GLY A O 1 ATOM 687 N N . ASP A 1 121 ? 71.031 54.060 16.687 1.00 103.75 ? 145 ASP A N 1 ATOM 688 C CA . ASP A 1 121 ? 69.685 54.490 16.312 1.00 115.64 ? 145 ASP A CA 1 ATOM 689 C C . ASP A 1 121 ? 69.674 55.750 15.444 1.00 120.99 ? 145 ASP A C 1 ATOM 690 O O . ASP A 1 121 ? 70.122 56.814 15.874 1.00 122.70 ? 145 ASP A O 1 ATOM 691 C CB . ASP A 1 121 ? 68.844 54.729 17.565 1.00 124.54 ? 145 ASP A CB 1 ATOM 692 C CG . ASP A 1 121 ? 67.366 54.872 17.254 1.00 131.77 ? 145 ASP A CG 1 ATOM 693 O OD1 . ASP A 1 121 ? 66.929 54.399 16.183 1.00 130.09 ? 145 ASP A OD1 1 ATOM 694 O OD2 . ASP A 1 121 ? 66.644 55.469 18.075 1.00 138.60 ? 145 ASP A OD2 1 ATOM 695 N N . GLN A 1 122 ? 69.160 55.622 14.225 1.00 125.27 ? 146 GLN A N 1 ATOM 696 C CA . GLN A 1 122 ? 68.978 56.769 13.334 1.00 131.25 ? 146 GLN A CA 1 ATOM 697 C C . GLN A 1 122 ? 67.925 56.415 12.282 1.00 131.76 ? 146 GLN A C 1 ATOM 698 O O . GLN A 1 122 ? 67.634 55.239 12.058 1.00 127.29 ? 146 GLN A O 1 ATOM 699 C CB . GLN A 1 122 ? 70.299 57.206 12.687 1.00 134.58 ? 146 GLN A CB 1 ATOM 700 C CG . GLN A 1 122 ? 70.603 56.599 11.331 1.00 135.78 ? 146 GLN A CG 1 ATOM 701 C CD . GLN A 1 122 ? 70.787 55.103 11.384 1.00 136.98 ? 146 GLN A CD 1 ATOM 702 O OE1 . GLN A 1 122 ? 70.329 54.381 10.500 1.00 136.37 ? 146 GLN A OE1 1 ATOM 703 N NE2 . GLN A 1 122 ? 71.475 54.626 12.413 1.00 138.44 ? 146 GLN A NE2 1 ATOM 704 N N . ASP A 1 123 ? 67.363 57.436 11.643 1.00 135.98 ? 147 ASP A N 1 ATOM 705 C CA . ASP A 1 123 ? 66.211 57.269 10.758 1.00 133.54 ? 147 ASP A CA 1 ATOM 706 C C . ASP A 1 123 ? 66.571 57.034 9.283 1.00 129.45 ? 147 ASP A C 1 ATOM 707 O O . ASP A 1 123 ? 65.820 56.366 8.569 1.00 125.03 ? 147 ASP A O 1 ATOM 708 C CB . ASP A 1 123 ? 65.300 58.499 10.866 1.00 133.09 ? 147 ASP A CB 1 ATOM 709 C CG . ASP A 1 123 ? 63.913 58.261 10.286 1.00 126.97 ? 147 ASP A CG 1 ATOM 710 O OD1 . ASP A 1 123 ? 63.488 57.089 10.190 1.00 117.85 ? 147 ASP A OD1 1 ATOM 711 O OD2 . ASP A 1 123 ? 63.242 59.252 9.926 1.00 129.77 ? 147 ASP A OD2 1 ATOM 712 N N . VAL A 1 124 ? 67.696 57.583 8.824 1.00 128.27 ? 148 VAL A N 1 ATOM 713 C CA . VAL A 1 124 ? 68.044 57.557 7.397 1.00 126.04 ? 148 VAL A CA 1 ATOM 714 C C . VAL A 1 124 ? 68.060 56.149 6.784 1.00 118.47 ? 148 VAL A C 1 ATOM 715 O O . VAL A 1 124 ? 67.787 55.989 5.593 1.00 116.75 ? 148 VAL A O 1 ATOM 716 C CB . VAL A 1 124 ? 69.433 58.220 7.150 1.00 100.26 ? 148 VAL A CB 1 ATOM 717 C CG1 . VAL A 1 124 ? 70.556 57.402 7.774 1.00 96.89 ? 148 VAL A CG1 1 ATOM 718 C CG2 . VAL A 1 124 ? 69.690 58.417 5.658 1.00 100.76 ? 148 VAL A CG2 1 ATOM 719 N N . THR A 1 125 ? 68.368 55.135 7.588 1.00 113.24 ? 149 THR A N 1 ATOM 720 C CA . THR A 1 125 ? 68.472 53.771 7.074 1.00 104.31 ? 149 THR A CA 1 ATOM 721 C C . THR A 1 125 ? 68.262 52.715 8.158 1.00 91.76 ? 149 THR A C 1 ATOM 722 O O . THR A 1 125 ? 68.241 53.027 9.349 1.00 90.11 ? 149 THR A O 1 ATOM 723 C CB . THR A 1 125 ? 69.851 53.529 6.414 1.00 106.45 ? 149 THR A CB 1 ATOM 724 O OG1 . THR A 1 125 ? 69.841 52.277 5.717 1.00 105.33 ? 149 THR A OG1 1 ATOM 725 C CG2 . THR A 1 125 ? 70.973 53.526 7.460 1.00 107.36 ? 149 THR A CG2 1 ATOM 726 N N . ARG A 1 126 ? 68.085 51.467 7.734 1.00 81.06 ? 150 ARG A N 1 ATOM 727 C CA . ARG A 1 126 ? 68.180 50.340 8.650 1.00 70.50 ? 150 ARG A CA 1 ATOM 728 C C . ARG A 1 126 ? 69.657 50.035 8.856 1.00 68.70 ? 150 ARG A C 1 ATOM 729 O O . ARG A 1 126 ? 70.463 50.249 7.950 1.00 63.06 ? 150 ARG A O 1 ATOM 730 C CB . ARG A 1 126 ? 67.478 49.101 8.091 1.00 65.67 ? 150 ARG A CB 1 ATOM 731 C CG . ARG A 1 126 ? 66.000 49.251 7.784 1.00 63.77 ? 150 ARG A CG 1 ATOM 732 C CD . ARG A 1 126 ? 65.418 47.896 7.397 1.00 62.42 ? 150 ARG A CD 1 ATOM 733 N NE . ARG A 1 126 ? 63.999 47.961 7.044 1.00 63.16 ? 150 ARG A NE 1 ATOM 734 C CZ . ARG A 1 126 ? 63.034 47.232 7.602 1.00 67.43 ? 150 ARG A CZ 1 ATOM 735 N NH1 . ARG A 1 126 ? 63.298 46.357 8.568 1.00 71.00 ? 150 ARG A NH1 1 ATOM 736 N NH2 . ARG A 1 126 ? 61.784 47.382 7.187 1.00 66.30 ? 150 ARG A NH2 1 ATOM 737 N N . GLU A 1 127 ? 70.021 49.554 10.039 1.00 74.17 ? 151 GLU A N 1 ATOM 738 C CA . GLU A 1 127 ? 71.369 49.036 10.255 1.00 79.56 ? 151 GLU A CA 1 ATOM 739 C C . GLU A 1 127 ? 71.279 47.705 10.983 1.00 59.21 ? 151 GLU A C 1 ATOM 740 O O . GLU A 1 127 ? 70.274 47.407 11.629 1.00 52.41 ? 151 GLU A O 1 ATOM 741 C CB . GLU A 1 127 ? 72.253 50.026 11.018 1.00 101.03 ? 151 GLU A CB 1 ATOM 742 C CG . GLU A 1 127 ? 71.691 50.554 12.316 1.00 116.52 ? 151 GLU A CG 1 ATOM 743 C CD . GLU A 1 127 ? 72.636 51.549 12.970 1.00 126.73 ? 151 GLU A CD 1 ATOM 744 O OE1 . GLU A 1 127 ? 73.865 51.325 12.924 1.00 127.66 ? 151 GLU A OE1 1 ATOM 745 O OE2 . GLU A 1 127 ? 72.156 52.564 13.513 1.00 132.32 ? 151 GLU A OE2 1 ATOM 746 N N . ALA A 1 128 ? 72.343 46.917 10.875 1.00 47.66 ? 152 ALA A N 1 ATOM 747 C CA . ALA A 1 128 ? 72.339 45.541 11.348 1.00 44.61 ? 152 ALA A CA 1 ATOM 748 C C . ALA A 1 128 ? 73.393 45.288 12.418 1.00 40.43 ? 152 ALA A C 1 ATOM 749 O O . ALA A 1 128 ? 74.527 45.758 12.322 1.00 44.49 ? 152 ALA A O 1 ATOM 750 C CB . ALA A 1 128 ? 72.546 44.591 10.179 1.00 44.32 ? 152 ALA A CB 1 ATOM 751 N N . ALA A 1 129 ? 72.990 44.561 13.454 1.00 34.79 ? 153 ALA A N 1 ATOM 752 C CA . ALA A 1 129 ? 73.921 44.032 14.438 1.00 37.62 ? 153 ALA A CA 1 ATOM 753 C C . ALA A 1 129 ? 74.423 42.676 13.954 1.00 32.93 ? 153 ALA A C 1 ATOM 754 O O . ALA A 1 129 ? 73.704 41.678 14.027 1.00 32.70 ? 153 ALA A O 1 ATOM 755 C CB . ALA A 1 129 ? 73.255 43.908 15.797 1.00 39.64 ? 153 ALA A CB 1 ATOM 756 N N . SER A 1 130 ? 75.655 42.655 13.448 1.00 31.09 ? 154 SER A N 1 ATOM 757 C CA . SER A 1 130 ? 76.203 41.471 12.793 1.00 29.86 ? 154 SER A CA 1 ATOM 758 C C . SER A 1 130 ? 77.485 40.972 13.443 1.00 28.68 ? 154 SER A C 1 ATOM 759 O O . SER A 1 130 ? 78.345 41.756 13.844 1.00 31.77 ? 154 SER A O 1 ATOM 760 C CB . SER A 1 130 ? 76.482 41.769 11.319 1.00 32.51 ? 154 SER A CB 1 ATOM 761 O OG . SER A 1 130 ? 75.413 42.489 10.730 1.00 39.04 ? 154 SER A OG 1 ATOM 762 N N . ASN A 1 131 ? 77.601 39.653 13.539 1.00 27.03 ? 155 ASN A N 1 ATOM 763 C CA . ASN A 1 131 ? 78.833 39.015 13.973 1.00 25.41 ? 155 ASN A CA 1 ATOM 764 C C . ASN A 1 131 ? 78.781 37.528 13.657 1.00 22.40 ? 155 ASN A C 1 ATOM 765 O O . ASN A 1 131 ? 77.740 37.008 13.259 1.00 22.18 ? 155 ASN A O 1 ATOM 766 C CB . ASN A 1 131 ? 79.077 39.230 15.468 1.00 27.51 ? 155 ASN A CB 1 ATOM 767 C CG . ASN A 1 131 ? 80.557 39.215 15.821 1.00 32.43 ? 155 ASN A CG 1 ATOM 768 O OD1 . ASN A 1 131 ? 81.351 38.520 15.186 1.00 28.93 ? 155 ASN A OD1 1 ATOM 769 N ND2 . ASN A 1 131 ? 80.934 39.986 16.834 1.00 35.27 ? 155 ASN A ND2 1 ATOM 770 N N . GLY A 1 132 ? 79.908 36.851 13.836 1.00 24.60 ? 156 GLY A N 1 ATOM 771 C CA . GLY A 1 132 ? 80.004 35.435 13.537 1.00 27.51 ? 156 GLY A CA 1 ATOM 772 C C . GLY A 1 132 ? 81.220 34.818 14.194 1.00 31.19 ? 156 GLY A C 1 ATOM 773 O O . GLY A 1 132 ? 82.147 35.527 14.582 1.00 35.60 ? 156 GLY A O 1 ATOM 774 N N . VAL A 1 133 ? 81.220 33.497 14.329 1.00 28.46 ? 157 VAL A N 1 ATOM 775 C CA . VAL A 1 133 ? 82.282 32.825 15.062 1.00 29.78 ? 157 VAL A CA 1 ATOM 776 C C . VAL A 1 133 ? 82.263 31.319 14.831 1.00 32.64 ? 157 VAL A C 1 ATOM 777 O O . VAL A 1 133 ? 81.229 30.740 14.497 1.00 30.71 ? 157 VAL A O 1 ATOM 778 C CB . VAL A 1 133 ? 82.167 33.119 16.580 1.00 26.14 ? 157 VAL A CB 1 ATOM 779 C CG1 . VAL A 1 133 ? 80.935 32.445 17.176 1.00 27.15 ? 157 VAL A CG1 1 ATOM 780 C CG2 . VAL A 1 133 ? 83.424 32.685 17.319 1.00 30.28 ? 157 VAL A CG2 1 ATOM 781 N N . LEU A 1 134 ? 83.425 30.699 15.006 1.00 37.31 ? 158 LEU A N 1 ATOM 782 C CA . LEU A 1 134 ? 83.536 29.250 15.041 1.00 41.65 ? 158 LEU A CA 1 ATOM 783 C C . LEU A 1 134 ? 83.667 28.822 16.496 1.00 42.51 ? 158 LEU A C 1 ATOM 784 O O . LEU A 1 134 ? 84.489 29.367 17.232 1.00 41.02 ? 158 LEU A O 1 ATOM 785 C CB . LEU A 1 134 ? 84.745 28.776 14.239 1.00 46.46 ? 158 LEU A CB 1 ATOM 786 C CG . LEU A 1 134 ? 84.804 29.204 12.775 1.00 50.20 ? 158 LEU A CG 1 ATOM 787 C CD1 . LEU A 1 134 ? 86.151 28.840 12.182 1.00 56.27 ? 158 LEU A CD1 1 ATOM 788 C CD2 . LEU A 1 134 ? 83.683 28.576 11.983 1.00 51.44 ? 158 LEU A CD2 1 ATOM 789 N N . ILE A 1 135 ? 82.857 27.856 16.915 1.00 45.97 ? 159 ILE A N 1 ATOM 790 C CA . ILE A 1 135 ? 82.939 27.336 18.275 1.00 49.02 ? 159 ILE A CA 1 ATOM 791 C C . ILE A 1 135 ? 82.813 25.824 18.302 1.00 47.55 ? 159 ILE A C 1 ATOM 792 O O . ILE A 1 135 ? 82.151 25.227 17.451 1.00 43.90 ? 159 ILE A O 1 ATOM 793 C CB . ILE A 1 135 ? 81.854 27.944 19.183 1.00 57.18 ? 159 ILE A CB 1 ATOM 794 C CG1 . ILE A 1 135 ? 80.465 27.714 18.578 1.00 64.48 ? 159 ILE A CG1 1 ATOM 795 C CG2 . ILE A 1 135 ? 82.113 29.426 19.377 1.00 59.50 ? 159 ILE A CG2 1 ATOM 796 C CD1 . ILE A 1 135 ? 79.322 28.195 19.449 1.00 69.15 ? 159 ILE A CD1 1 ATOM 797 N N . GLN A 1 136 ? 83.467 25.211 19.281 1.00 53.43 ? 160 GLN A N 1 ATOM 798 C CA . GLN A 1 136 ? 83.313 23.787 19.518 1.00 60.35 ? 160 GLN A CA 1 ATOM 799 C C . GLN A 1 136 ? 82.065 23.548 20.353 1.00 63.50 ? 160 GLN A C 1 ATOM 800 O O . GLN A 1 136 ? 81.846 24.217 21.364 1.00 65.02 ? 160 GLN A O 1 ATOM 801 C CB . GLN A 1 136 ? 84.543 23.218 20.222 1.00 60.39 ? 160 GLN A CB 1 ATOM 802 C CG . GLN A 1 136 ? 84.468 21.725 20.482 1.00 59.97 ? 160 GLN A CG 1 ATOM 803 C CD . GLN A 1 136 ? 85.743 21.181 21.088 1.00 63.41 ? 160 GLN A CD 1 ATOM 804 O OE1 . GLN A 1 136 ? 86.814 21.265 20.488 1.00 60.63 ? 160 GLN A OE1 1 ATOM 805 N NE2 . GLN A 1 136 ? 85.636 20.627 22.289 1.00 69.58 ? 160 GLN A NE2 1 ATOM 806 N N . MET A 1 137 ? 81.248 22.596 19.916 1.00 64.10 ? 161 MET A N 1 ATOM 807 C CA . MET A 1 137 ? 80.044 22.216 20.640 1.00 66.27 ? 161 MET A CA 1 ATOM 808 C C . MET A 1 137 ? 80.024 20.711 20.850 1.00 75.23 ? 161 MET A C 1 ATOM 809 O O . MET A 1 137 ? 80.554 19.964 20.029 1.00 80.59 ? 161 MET A O 1 ATOM 810 C CB . MET A 1 137 ? 78.797 22.651 19.869 1.00 61.35 ? 161 MET A CB 1 ATOM 811 C CG . MET A 1 137 ? 78.661 24.153 19.688 1.00 56.97 ? 161 MET A CG 1 ATOM 812 S SD . MET A 1 137 ? 77.189 24.611 18.744 1.00 65.39 ? 161 MET A SD 1 ATOM 813 C CE . MET A 1 137 ? 75.894 24.284 19.936 1.00 93.71 ? 161 MET A CE 1 ATOM 814 N N . GLU A 1 138 ? 79.426 20.275 21.954 1.00 74.62 ? 162 GLU A N 1 ATOM 815 C CA . GLU A 1 138 ? 79.154 18.859 22.184 1.00 74.10 ? 162 GLU A CA 1 ATOM 816 C C . GLU A 1 138 ? 77.675 18.609 21.921 1.00 69.40 ? 162 GLU A C 1 ATOM 817 O O . GLU A 1 138 ? 76.895 19.553 21.799 1.00 67.22 ? 162 GLU A O 1 ATOM 818 C CB . GLU A 1 138 ? 79.540 18.426 23.601 1.00 81.82 ? 162 GLU A CB 1 ATOM 819 C CG . GLU A 1 138 ? 81.044 18.469 23.888 1.00 89.62 ? 162 GLU A CG 1 ATOM 820 C CD . GLU A 1 138 ? 81.527 19.793 24.460 1.00 99.02 ? 162 GLU A CD 1 ATOM 821 O OE1 . GLU A 1 138 ? 82.709 20.133 24.235 1.00 100.96 ? 162 GLU A OE1 1 ATOM 822 O OE2 . GLU A 1 138 ? 80.743 20.485 25.144 1.00 102.46 ? 162 GLU A OE2 1 ATOM 823 N N . LYS A 1 139 ? 77.290 17.341 21.831 1.00 69.26 ? 163 LYS A N 1 ATOM 824 C CA . LYS A 1 139 ? 75.894 16.988 21.602 1.00 70.58 ? 163 LYS A CA 1 ATOM 825 C C . LYS A 1 139 ? 74.984 17.562 22.682 1.00 68.50 ? 163 LYS A C 1 ATOM 826 O O . LYS A 1 139 ? 75.291 17.498 23.873 1.00 67.29 ? 163 LYS A O 1 ATOM 827 C CB . LYS A 1 139 ? 75.724 15.469 21.542 1.00 76.77 ? 163 LYS A CB 1 ATOM 828 C CG . LYS A 1 139 ? 74.360 15.032 21.024 1.00 80.47 ? 163 LYS A CG 1 ATOM 829 C CD . LYS A 1 139 ? 74.028 13.597 21.406 1.00 86.49 ? 163 LYS A CD 1 ATOM 830 C CE . LYS A 1 139 ? 74.780 12.596 20.545 1.00 89.30 ? 163 LYS A CE 1 ATOM 831 N NZ . LYS A 1 139 ? 74.189 11.233 20.642 1.00 93.42 ? 163 LYS A NZ 1 ATOM 832 N N . GLY A 1 140 ? 73.863 18.128 22.247 1.00 67.49 ? 164 GLY A N 1 ATOM 833 C CA . GLY A 1 140 ? 72.875 18.682 23.152 1.00 72.08 ? 164 GLY A CA 1 ATOM 834 C C . GLY A 1 140 ? 73.165 20.107 23.583 1.00 74.87 ? 164 GLY A C 1 ATOM 835 O O . GLY A 1 140 ? 72.423 20.676 24.383 1.00 79.91 ? 164 GLY A O 1 ATOM 836 N N . ASP A 1 141 ? 74.236 20.692 23.056 1.00 73.97 ? 165 ASP A N 1 ATOM 837 C CA . ASP A 1 141 ? 74.527 22.096 23.317 1.00 72.32 ? 165 ASP A CA 1 ATOM 838 C C . ASP A 1 141 ? 73.559 22.969 22.530 1.00 67.25 ? 165 ASP A C 1 ATOM 839 O O . ASP A 1 141 ? 73.249 22.676 21.376 1.00 64.68 ? 165 ASP A O 1 ATOM 840 C CB . ASP A 1 141 ? 75.972 22.436 22.947 1.00 76.93 ? 165 ASP A CB 1 ATOM 841 C CG . ASP A 1 141 ? 76.969 21.994 24.006 1.00 85.09 ? 165 ASP A CG 1 ATOM 842 O OD1 . ASP A 1 141 ? 76.560 21.781 25.168 1.00 90.63 ? 165 ASP A OD1 1 ATOM 843 O OD2 . ASP A 1 141 ? 78.167 21.863 23.676 1.00 85.16 ? 165 ASP A OD2 1 ATOM 844 N N . ARG A 1 142 ? 73.100 24.047 23.159 1.00 66.49 ? 166 ARG A N 1 ATOM 845 C CA . ARG A 1 142 ? 72.067 24.901 22.584 1.00 65.55 ? 166 ARG A CA 1 ATOM 846 C C . ARG A 1 142 ? 72.646 26.236 22.128 1.00 59.52 ? 166 ARG A C 1 ATOM 847 O O . ARG A 1 142 ? 73.345 26.908 22.887 1.00 57.11 ? 166 ARG A O 1 ATOM 848 C CB . ARG A 1 142 ? 70.948 25.133 23.602 1.00 72.41 ? 166 ARG A CB 1 ATOM 849 C CG . ARG A 1 142 ? 70.318 23.849 24.118 1.00 79.13 ? 166 ARG A CG 1 ATOM 850 C CD . ARG A 1 142 ? 69.229 24.123 25.137 1.00 82.80 ? 166 ARG A CD 1 ATOM 851 N NE . ARG A 1 142 ? 68.119 24.881 24.563 1.00 81.90 ? 166 ARG A NE 1 ATOM 852 C CZ . ARG A 1 142 ? 67.114 24.341 23.878 1.00 83.21 ? 166 ARG A CZ 1 ATOM 853 N NH1 . ARG A 1 142 ? 67.071 23.031 23.667 1.00 83.93 ? 166 ARG A NH1 1 ATOM 854 N NH2 . ARG A 1 142 ? 66.149 25.114 23.398 1.00 79.88 ? 166 ARG A NH2 1 ATOM 855 N N . ALA A 1 143 ? 72.359 26.602 20.880 1.00 54.14 ? 167 ALA A N 1 ATOM 856 C CA . ALA A 1 143 ? 72.797 27.876 20.314 1.00 45.96 ? 167 ALA A CA 1 ATOM 857 C C . ALA A 1 143 ? 71.601 28.713 19.870 1.00 44.09 ? 167 ALA A C 1 ATOM 858 O O . ALA A 1 143 ? 70.699 28.211 19.199 1.00 45.83 ? 167 ALA A O 1 ATOM 859 C CB . ALA A 1 143 ? 73.737 27.639 19.150 1.00 43.92 ? 167 ALA A CB 1 ATOM 860 N N . TYR A 1 144 ? 71.599 29.991 20.238 1.00 41.46 ? 168 TYR A N 1 ATOM 861 C CA . TYR A 1 144 ? 70.498 30.886 19.893 1.00 41.54 ? 168 TYR A CA 1 ATOM 862 C C . TYR A 1 144 ? 70.882 32.347 20.120 1.00 39.40 ? 168 TYR A C 1 ATOM 863 O O . TYR A 1 144 ? 71.909 32.635 20.735 1.00 40.67 ? 168 TYR A O 1 ATOM 864 C CB . TYR A 1 144 ? 69.256 30.540 20.716 1.00 46.58 ? 168 TYR A CB 1 ATOM 865 C CG . TYR A 1 144 ? 69.474 30.644 22.208 1.00 47.27 ? 168 TYR A CG 1 ATOM 866 C CD1 . TYR A 1 144 ? 70.037 29.596 22.923 1.00 48.28 ? 168 TYR A CD1 1 ATOM 867 C CD2 . TYR A 1 144 ? 69.118 31.793 22.901 1.00 47.93 ? 168 TYR A CD2 1 ATOM 868 C CE1 . TYR A 1 144 ? 70.241 29.689 24.286 1.00 52.58 ? 168 TYR A CE1 1 ATOM 869 C CE2 . TYR A 1 144 ? 69.316 31.896 24.262 1.00 53.00 ? 168 TYR A CE2 1 ATOM 870 C CZ . TYR A 1 144 ? 69.877 30.841 24.950 1.00 55.02 ? 168 TYR A CZ 1 ATOM 871 O OH . TYR A 1 144 ? 70.074 30.942 26.307 1.00 59.67 ? 168 TYR A OH 1 ATOM 872 N N . LEU A 1 145 ? 70.053 33.261 19.622 1.00 37.02 ? 169 LEU A N 1 ATOM 873 C CA . LEU A 1 145 ? 70.313 34.693 19.747 1.00 37.96 ? 169 LEU A CA 1 ATOM 874 C C . LEU A 1 145 ? 69.441 35.336 20.820 1.00 42.19 ? 169 LEU A C 1 ATOM 875 O O . LEU A 1 145 ? 68.236 35.096 20.879 1.00 49.69 ? 169 LEU A O 1 ATOM 876 C CB . LEU A 1 145 ? 70.081 35.398 18.410 1.00 39.73 ? 169 LEU A CB 1 ATOM 877 C CG . LEU A 1 145 ? 70.828 34.829 17.203 1.00 45.67 ? 169 LEU A CG 1 ATOM 878 C CD1 . LEU A 1 145 ? 70.506 35.640 15.957 1.00 47.68 ? 169 LEU A CD1 1 ATOM 879 C CD2 . LEU A 1 145 ? 72.328 34.799 17.451 1.00 48.01 ? 169 LEU A CD2 1 ATOM 880 N N . LYS A 1 146 ? 70.064 36.154 21.663 1.00 41.20 ? 170 LYS A N 1 ATOM 881 C CA . LYS A 1 146 ? 69.363 36.878 22.716 1.00 45.24 ? 170 LYS A CA 1 ATOM 882 C C . LYS A 1 146 ? 69.607 38.374 22.594 1.00 42.04 ? 170 LYS A C 1 ATOM 883 O O . LYS A 1 146 ? 70.718 38.814 22.294 1.00 37.59 ? 170 LYS A O 1 ATOM 884 C CB . LYS A 1 146 ? 69.798 36.375 24.096 1.00 57.71 ? 170 LYS A CB 1 ATOM 885 C CG . LYS A 1 146 ? 68.873 36.791 25.234 1.00 71.39 ? 170 LYS A CG 1 ATOM 886 C CD . LYS A 1 146 ? 69.465 36.436 26.594 1.00 79.17 ? 170 LYS A CD 1 ATOM 887 C CE . LYS A 1 146 ? 69.121 37.455 27.669 1.00 82.25 ? 170 LYS A CE 1 ATOM 888 N NZ . LYS A 1 146 ? 70.332 38.211 28.099 1.00 81.10 ? 170 LYS A NZ 1 ATOM 889 N N . LEU A 1 147 ? 68.549 39.145 22.819 1.00 43.72 ? 171 LEU A N 1 ATOM 890 C CA . LEU A 1 147 ? 68.622 40.600 22.792 1.00 44.96 ? 171 LEU A CA 1 ATOM 891 C C . LEU A 1 147 ? 69.040 41.131 24.164 1.00 49.11 ? 171 LEU A C 1 ATOM 892 O O . LEU A 1 147 ? 68.216 41.261 25.069 1.00 51.24 ? 171 LEU A O 1 ATOM 893 C CB . LEU A 1 147 ? 67.272 41.181 22.368 1.00 44.33 ? 171 LEU A CB 1 ATOM 894 C CG . LEU A 1 147 ? 67.254 42.657 21.976 1.00 46.52 ? 171 LEU A CG 1 ATOM 895 C CD1 . LEU A 1 147 ? 67.955 42.866 20.641 1.00 41.96 ? 171 LEU A CD1 1 ATOM 896 C CD2 . LEU A 1 147 ? 65.830 43.176 21.914 1.00 48.83 ? 171 LEU A CD2 1 ATOM 897 N N . GLU A 1 148 ? 70.328 41.428 24.314 1.00 50.44 ? 172 GLU A N 1 ATOM 898 C CA . GLU A 1 148 ? 70.881 41.841 25.602 1.00 50.92 ? 172 GLU A CA 1 ATOM 899 C C . GLU A 1 148 ? 70.419 43.221 26.051 1.00 49.58 ? 172 GLU A C 1 ATOM 900 O O . GLU A 1 148 ? 70.417 43.513 27.244 1.00 59.96 ? 172 GLU A O 1 ATOM 901 C CB . GLU A 1 148 ? 72.407 41.824 25.548 1.00 58.02 ? 172 GLU A CB 1 ATOM 902 C CG . GLU A 1 148 ? 73.004 40.460 25.270 1.00 69.96 ? 172 GLU A CG 1 ATOM 903 C CD . GLU A 1 148 ? 73.521 39.790 26.527 1.00 85.15 ? 172 GLU A CD 1 ATOM 904 O OE1 . GLU A 1 148 ? 72.707 39.522 27.437 1.00 89.65 ? 172 GLU A OE1 1 ATOM 905 O OE2 . GLU A 1 148 ? 74.742 39.536 26.608 1.00 90.38 ? 172 GLU A OE2 1 ATOM 906 N N . ARG A 1 149 ? 70.046 44.076 25.106 1.00 44.75 ? 173 ARG A N 1 ATOM 907 C CA . ARG A 1 149 ? 69.620 45.430 25.447 1.00 50.03 ? 173 ARG A CA 1 ATOM 908 C C . ARG A 1 149 ? 68.764 46.036 24.337 1.00 52.59 ? 173 ARG A C 1 ATOM 909 O O . ARG A 1 149 ? 68.845 45.626 23.179 1.00 50.01 ? 173 ARG A O 1 ATOM 910 C CB . ARG A 1 149 ? 70.831 46.318 25.736 1.00 47.83 ? 173 ARG A CB 1 ATOM 911 C CG . ARG A 1 149 ? 71.495 46.889 24.509 1.00 55.53 ? 173 ARG A CG 1 ATOM 912 C CD . ARG A 1 149 ? 72.838 47.525 24.839 1.00 65.56 ? 173 ARG A CD 1 ATOM 913 N NE . ARG A 1 149 ? 72.699 48.635 25.779 1.00 76.89 ? 173 ARG A NE 1 ATOM 914 C CZ . ARG A 1 149 ? 73.610 49.588 25.959 1.00 85.27 ? 173 ARG A CZ 1 ATOM 915 N NH1 . ARG A 1 149 ? 74.737 49.583 25.259 1.00 86.85 ? 173 ARG A NH1 1 ATOM 916 N NH2 . ARG A 1 149 ? 73.388 50.555 26.840 1.00 88.72 ? 173 ARG A NH2 1 ATOM 917 N N . GLY A 1 150 ? 67.939 47.010 24.707 1.00 57.12 ? 174 GLY A N 1 ATOM 918 C CA . GLY A 1 150 ? 67.043 47.662 23.770 1.00 55.22 ? 174 GLY A CA 1 ATOM 919 C C . GLY A 1 150 ? 65.902 46.746 23.372 1.00 52.23 ? 174 GLY A C 1 ATOM 920 O O . GLY A 1 150 ? 65.720 45.682 23.964 1.00 53.50 ? 174 GLY A O 1 ATOM 921 N N . ASN A 1 151 ? 65.132 47.160 22.370 1.00 49.56 ? 175 ASN A N 1 ATOM 922 C CA . ASN A 1 151 ? 64.039 46.345 21.853 1.00 50.90 ? 175 ASN A CA 1 ATOM 923 C C . ASN A 1 151 ? 63.985 46.382 20.333 1.00 52.70 ? 175 ASN A C 1 ATOM 924 O O . ASN A 1 151 ? 64.669 47.186 19.696 1.00 48.45 ? 175 ASN A O 1 ATOM 925 C CB . ASN A 1 151 ? 62.698 46.799 22.437 1.00 53.36 ? 175 ASN A CB 1 ATOM 926 C CG . ASN A 1 151 ? 62.366 48.240 22.099 1.00 58.62 ? 175 ASN A CG 1 ATOM 927 O OD1 . ASN A 1 151 ? 62.172 48.593 20.936 1.00 60.25 ? 175 ASN A OD1 1 ATOM 928 N ND2 . ASN A 1 151 ? 62.268 49.076 23.125 1.00 62.80 ? 175 ASN A ND2 1 ATOM 929 N N . LEU A 1 152 ? 63.162 45.505 19.766 1.00 52.64 ? 176 LEU A N 1 ATOM 930 C CA . LEU A 1 152 ? 63.009 45.405 18.321 1.00 46.82 ? 176 LEU A CA 1 ATOM 931 C C . LEU A 1 152 ? 61.598 45.805 17.902 1.00 52.16 ? 176 LEU A C 1 ATOM 932 O O . LEU A 1 152 ? 60.979 45.154 17.061 1.00 51.57 ? 176 LEU A O 1 ATOM 933 C CB . LEU A 1 152 ? 63.324 43.984 17.846 1.00 39.90 ? 176 LEU A CB 1 ATOM 934 C CG . LEU A 1 152 ? 64.763 43.503 18.056 1.00 35.54 ? 176 LEU A CG 1 ATOM 935 C CD1 . LEU A 1 152 ? 64.913 42.056 17.613 1.00 35.06 ? 176 LEU A CD1 1 ATOM 936 C CD2 . LEU A 1 152 ? 65.758 44.383 17.316 1.00 31.88 ? 176 LEU A CD2 1 ATOM 937 N N . MET A 1 153 ? 61.090 46.876 18.503 1.00 51.94 ? 177 MET A N 1 ATOM 938 C CA . MET A 1 153 ? 59.831 47.453 18.063 1.00 56.05 ? 177 MET A CA 1 ATOM 939 C C . MET A 1 153 ? 60.039 47.952 16.639 1.00 53.77 ? 177 MET A C 1 ATOM 940 O O . MET A 1 153 ? 61.114 48.451 16.307 1.00 53.01 ? 177 MET A O 1 ATOM 941 C CB . MET A 1 153 ? 59.386 48.592 18.982 1.00 65.23 ? 177 MET A CB 1 ATOM 942 C CG . MET A 1 153 ? 59.026 48.162 20.401 1.00 70.06 ? 177 MET A CG 1 ATOM 943 S SD . MET A 1 153 ? 57.668 46.977 20.494 1.00 134.35 ? 177 MET A SD 1 ATOM 944 C CE . MET A 1 153 ? 56.299 47.961 19.884 1.00 73.64 ? 177 MET A CE 1 ATOM 945 N N . GLY A 1 154 ? 59.017 47.811 15.802 1.00 53.39 ? 178 GLY A N 1 ATOM 946 C CA . GLY A 1 154 ? 59.150 48.098 14.384 1.00 47.86 ? 178 GLY A CA 1 ATOM 947 C C . GLY A 1 154 ? 59.587 46.859 13.628 1.00 46.54 ? 178 GLY A C 1 ATOM 948 O O . GLY A 1 154 ? 59.793 46.899 12.416 1.00 51.20 ? 178 GLY A O 1 ATOM 949 N N . GLY A 1 155 ? 59.735 45.755 14.354 1.00 44.40 ? 179 GLY A N 1 ATOM 950 C CA . GLY A 1 155 ? 60.107 44.484 13.761 1.00 42.58 ? 179 GLY A CA 1 ATOM 951 C C . GLY A 1 155 ? 61.595 44.375 13.509 1.00 39.78 ? 179 GLY A C 1 ATOM 952 O O . GLY A 1 155 ? 62.336 45.347 13.669 1.00 33.31 ? 179 GLY A O 1 ATOM 953 N N . TRP A 1 156 ? 62.028 43.180 13.121 1.00 38.75 ? 180 TRP A N 1 ATOM 954 C CA . TRP A 1 156 ? 63.418 42.947 12.759 1.00 36.42 ? 180 TRP A CA 1 ATOM 955 C C . TRP A 1 156 ? 63.464 42.176 11.448 1.00 39.00 ? 180 TRP A C 1 ATOM 956 O O . TRP A 1 156 ? 64.199 41.200 11.300 1.00 37.40 ? 180 TRP A O 1 ATOM 957 C CB . TRP A 1 156 ? 64.164 42.199 13.870 1.00 32.19 ? 180 TRP A CB 1 ATOM 958 C CG . TRP A 1 156 ? 63.578 40.865 14.242 1.00 34.65 ? 180 TRP A CG 1 ATOM 959 C CD1 . TRP A 1 156 ? 64.068 39.634 13.914 1.00 29.71 ? 180 TRP A CD1 1 ATOM 960 C CD2 . TRP A 1 156 ? 62.399 40.631 15.020 1.00 36.75 ? 180 TRP A CD2 1 ATOM 961 N NE1 . TRP A 1 156 ? 63.265 38.649 14.436 1.00 30.92 ? 180 TRP A NE1 1 ATOM 962 C CE2 . TRP A 1 156 ? 62.234 39.235 15.120 1.00 32.57 ? 180 TRP A CE2 1 ATOM 963 C CE3 . TRP A 1 156 ? 61.466 41.466 15.642 1.00 38.97 ? 180 TRP A CE3 1 ATOM 964 C CZ2 . TRP A 1 156 ? 61.174 38.657 15.812 1.00 45.68 ? 180 TRP A CZ2 1 ATOM 965 C CZ3 . TRP A 1 156 ? 60.415 40.891 16.329 1.00 41.56 ? 180 TRP A CZ3 1 ATOM 966 C CH2 . TRP A 1 156 ? 60.277 39.499 16.409 1.00 45.08 ? 180 TRP A CH2 1 ATOM 967 N N . LYS A 1 157 ? 62.655 42.635 10.499 1.00 40.16 ? 181 LYS A N 1 ATOM 968 C CA . LYS A 1 157 ? 62.584 42.043 9.173 1.00 40.57 ? 181 LYS A CA 1 ATOM 969 C C . LYS A 1 157 ? 63.950 42.093 8.498 1.00 34.64 ? 181 LYS A C 1 ATOM 970 O O . LYS A 1 157 ? 64.735 43.005 8.752 1.00 34.36 ? 181 LYS A O 1 ATOM 971 C CB . LYS A 1 157 ? 61.537 42.776 8.336 1.00 46.45 ? 181 LYS A CB 1 ATOM 972 C CG . LYS A 1 157 ? 61.285 42.194 6.959 1.00 46.69 ? 181 LYS A CG 1 ATOM 973 C CD . LYS A 1 157 ? 60.172 42.961 6.261 1.00 48.75 ? 181 LYS A CD 1 ATOM 974 C CE . LYS A 1 157 ? 59.911 42.443 4.860 1.00 47.43 ? 181 LYS A CE 1 ATOM 975 N NZ . LYS A 1 157 ? 58.969 43.328 4.118 1.00 47.97 ? 181 LYS A NZ 1 ATOM 976 N N . TYR A 1 158 ? 64.209 41.104 7.642 1.00 32.31 ? 182 TYR A N 1 ATOM 977 C CA . TYR A 1 158 ? 65.478 40.934 6.919 1.00 29.86 ? 182 TYR A CA 1 ATOM 978 C C . TYR A 1 158 ? 66.604 40.407 7.801 1.00 29.46 ? 182 TYR A C 1 ATOM 979 O O . TYR A 1 158 ? 67.732 40.248 7.336 1.00 26.92 ? 182 TYR A O 1 ATOM 980 C CB . TYR A 1 158 ? 65.929 42.237 6.253 1.00 31.71 ? 182 TYR A CB 1 ATOM 981 C CG . TYR A 1 158 ? 64.947 42.760 5.245 1.00 35.35 ? 182 TYR A CG 1 ATOM 982 C CD1 . TYR A 1 158 ? 64.721 42.067 4.070 1.00 37.55 ? 182 TYR A CD1 1 ATOM 983 C CD2 . TYR A 1 158 ? 64.252 43.941 5.456 1.00 36.65 ? 182 TYR A CD2 1 ATOM 984 C CE1 . TYR A 1 158 ? 63.832 42.522 3.136 1.00 39.85 ? 182 TYR A CE1 1 ATOM 985 C CE2 . TYR A 1 158 ? 63.354 44.409 4.520 1.00 38.79 ? 182 TYR A CE2 1 ATOM 986 C CZ . TYR A 1 158 ? 63.150 43.690 3.357 1.00 41.87 ? 182 TYR A CZ 1 ATOM 987 O OH . TYR A 1 158 ? 62.260 44.132 2.405 1.00 49.23 ? 182 TYR A OH 1 ATOM 988 N N . SER A 1 159 ? 66.310 40.138 9.066 1.00 34.06 ? 183 SER A N 1 ATOM 989 C CA . SER A 1 159 ? 67.315 39.563 9.945 1.00 41.19 ? 183 SER A CA 1 ATOM 990 C C . SER A 1 159 ? 67.623 38.142 9.493 1.00 35.21 ? 183 SER A C 1 ATOM 991 O O . SER A 1 159 ? 66.758 37.466 8.937 1.00 25.45 ? 183 SER A O 1 ATOM 992 C CB . SER A 1 159 ? 66.845 39.575 11.398 1.00 46.91 ? 183 SER A CB 1 ATOM 993 O OG . SER A 1 159 ? 66.696 40.901 11.870 1.00 26.34 ? 183 SER A OG 1 ATOM 994 N N . THR A 1 160 ? 68.857 37.702 9.714 1.00 23.90 ? 184 THR A N 1 ATOM 995 C CA . THR A 1 160 ? 69.284 36.370 9.297 1.00 27.25 ? 184 THR A CA 1 ATOM 996 C C . THR A 1 160 ? 70.083 35.687 10.393 1.00 23.65 ? 184 THR A C 1 ATOM 997 O O . THR A 1 160 ? 70.819 36.330 11.141 1.00 23.27 ? 184 THR A O 1 ATOM 998 C CB . THR A 1 160 ? 70.142 36.412 8.011 1.00 29.21 ? 184 THR A CB 1 ATOM 999 O OG1 . THR A 1 160 ? 71.390 37.065 8.279 1.00 32.77 ? 184 THR A OG1 1 ATOM 1000 C CG2 . THR A 1 160 ? 69.418 37.148 6.901 1.00 33.86 ? 184 THR A CG2 1 ATOM 1001 N N . PHE A 1 161 ? 69.926 34.371 10.471 1.00 24.22 ? 185 PHE A N 1 ATOM 1002 C CA . PHE A 1 161 ? 70.669 33.543 11.408 1.00 27.86 ? 185 PHE A CA 1 ATOM 1003 C C . PHE A 1 161 ? 70.937 32.197 10.750 1.00 27.00 ? 185 PHE A C 1 ATOM 1004 O O . PHE A 1 161 ? 70.002 31.491 10.371 1.00 35.03 ? 185 PHE A O 1 ATOM 1005 C CB . PHE A 1 161 ? 69.881 33.371 12.710 1.00 34.58 ? 185 PHE A CB 1 ATOM 1006 C CG . PHE A 1 161 ? 70.602 32.591 13.773 1.00 32.58 ? 185 PHE A CG 1 ATOM 1007 C CD1 . PHE A 1 161 ? 71.985 32.504 13.789 1.00 33.24 ? 185 PHE A CD1 1 ATOM 1008 C CD2 . PHE A 1 161 ? 69.886 31.945 14.766 1.00 31.35 ? 185 PHE A CD2 1 ATOM 1009 C CE1 . PHE A 1 161 ? 72.635 31.786 14.774 1.00 31.91 ? 185 PHE A CE1 1 ATOM 1010 C CE2 . PHE A 1 161 ? 70.530 31.227 15.750 1.00 30.21 ? 185 PHE A CE2 1 ATOM 1011 C CZ . PHE A 1 161 ? 71.906 31.148 15.756 1.00 30.28 ? 185 PHE A CZ 1 ATOM 1012 N N . SER A 1 162 ? 72.210 31.846 10.612 1.00 25.93 ? 186 SER A N 1 ATOM 1013 C CA . SER A 1 162 ? 72.592 30.613 9.932 1.00 29.14 ? 186 SER A CA 1 ATOM 1014 C C . SER A 1 162 ? 73.816 29.987 10.584 1.00 27.80 ? 186 SER A C 1 ATOM 1015 O O . SER A 1 162 ? 74.557 30.655 11.307 1.00 24.52 ? 186 SER A O 1 ATOM 1016 C CB . SER A 1 162 ? 72.858 30.882 8.448 1.00 31.64 ? 186 SER A CB 1 ATOM 1017 O OG . SER A 1 162 ? 73.786 31.942 8.276 1.00 35.15 ? 186 SER A OG 1 ATOM 1018 N N . GLY A 1 163 ? 74.017 28.699 10.327 1.00 31.34 ? 187 GLY A N 1 ATOM 1019 C CA . GLY A 1 163 ? 75.152 27.976 10.869 1.00 30.97 ? 187 GLY A CA 1 ATOM 1020 C C . GLY A 1 163 ? 75.262 26.585 10.280 1.00 33.48 ? 187 GLY A C 1 ATOM 1021 O O . GLY A 1 163 ? 74.302 26.067 9.711 1.00 36.75 ? 187 GLY A O 1 ATOM 1022 N N . PHE A 1 164 ? 76.438 25.979 10.408 1.00 35.80 ? 188 PHE A N 1 ATOM 1023 C CA . PHE A 1 164 ? 76.664 24.638 9.882 1.00 40.63 ? 188 PHE A CA 1 ATOM 1024 C C . PHE A 1 164 ? 77.852 23.958 10.557 1.00 42.86 ? 188 PHE A C 1 ATOM 1025 O O . PHE A 1 164 ? 78.735 24.620 11.103 1.00 39.33 ? 188 PHE A O 1 ATOM 1026 C CB . PHE A 1 164 ? 76.889 24.695 8.368 1.00 37.02 ? 188 PHE A CB 1 ATOM 1027 C CG . PHE A 1 164 ? 78.128 25.440 7.967 1.00 32.00 ? 188 PHE A CG 1 ATOM 1028 C CD1 . PHE A 1 164 ? 78.099 26.812 7.786 1.00 29.14 ? 188 PHE A CD1 1 ATOM 1029 C CD2 . PHE A 1 164 ? 79.321 24.768 7.766 1.00 34.71 ? 188 PHE A CD2 1 ATOM 1030 C CE1 . PHE A 1 164 ? 79.241 27.503 7.417 1.00 27.54 ? 188 PHE A CE1 1 ATOM 1031 C CE2 . PHE A 1 164 ? 80.466 25.454 7.395 1.00 32.78 ? 188 PHE A CE2 1 ATOM 1032 C CZ . PHE A 1 164 ? 80.425 26.823 7.221 1.00 27.42 ? 188 PHE A CZ 1 ATOM 1033 N N . LEU A 1 165 ? 77.862 22.628 10.516 1.00 47.28 ? 189 LEU A N 1 ATOM 1034 C CA . LEU A 1 165 ? 78.981 21.850 11.032 1.00 47.36 ? 189 LEU A CA 1 ATOM 1035 C C . LEU A 1 165 ? 80.140 21.906 10.052 1.00 42.87 ? 189 LEU A C 1 ATOM 1036 O O . LEU A 1 165 ? 80.034 21.419 8.927 1.00 41.59 ? 189 LEU A O 1 ATOM 1037 C CB . LEU A 1 165 ? 78.569 20.397 11.275 1.00 50.73 ? 189 LEU A CB 1 ATOM 1038 C CG . LEU A 1 165 ? 79.688 19.439 11.695 1.00 55.22 ? 189 LEU A CG 1 ATOM 1039 C CD1 . LEU A 1 165 ? 80.209 19.782 13.082 1.00 54.73 ? 189 LEU A CD1 1 ATOM 1040 C CD2 . LEU A 1 165 ? 79.204 18.001 11.644 1.00 59.75 ? 189 LEU A CD2 1 ATOM 1041 N N . VAL A 1 166 ? 81.249 22.493 10.485 1.00 40.61 ? 190 VAL A N 1 ATOM 1042 C CA . VAL A 1 166 ? 82.432 22.589 9.643 1.00 41.45 ? 190 VAL A CA 1 ATOM 1043 C C . VAL A 1 166 ? 83.069 21.211 9.523 1.00 45.77 ? 190 VAL A C 1 ATOM 1044 O O . VAL A 1 166 ? 83.287 20.705 8.421 1.00 43.99 ? 190 VAL A O 1 ATOM 1045 C CB . VAL A 1 166 ? 83.452 23.588 10.211 1.00 36.70 ? 190 VAL A CB 1 ATOM 1046 C CG1 . VAL A 1 166 ? 84.614 23.764 9.250 1.00 36.26 ? 190 VAL A CG1 1 ATOM 1047 C CG2 . VAL A 1 166 ? 82.788 24.927 10.478 1.00 35.25 ? 190 VAL A CG2 1 ATOM 1048 N N . PHE A 1 167 ? 83.367 20.612 10.669 1.00 48.34 ? 191 PHE A N 1 ATOM 1049 C CA . PHE A 1 167 ? 83.792 19.221 10.724 1.00 52.30 ? 191 PHE A CA 1 ATOM 1050 C C . PHE A 1 167 ? 83.574 18.660 12.128 1.00 54.98 ? 191 PHE A C 1 ATOM 1051 O O . PHE A 1 167 ? 83.651 19.397 13.109 1.00 57.47 ? 191 PHE A O 1 ATOM 1052 C CB . PHE A 1 167 ? 85.257 19.078 10.308 1.00 54.25 ? 191 PHE A CB 1 ATOM 1053 C CG . PHE A 1 167 ? 86.187 20.035 11.000 1.00 53.16 ? 191 PHE A CG 1 ATOM 1054 C CD1 . PHE A 1 167 ? 86.571 19.827 12.314 1.00 56.69 ? 191 PHE A CD1 1 ATOM 1055 C CD2 . PHE A 1 167 ? 86.703 21.125 10.322 1.00 51.03 ? 191 PHE A CD2 1 ATOM 1056 C CE1 . PHE A 1 167 ? 87.434 20.702 12.945 1.00 56.88 ? 191 PHE A CE1 1 ATOM 1057 C CE2 . PHE A 1 167 ? 87.567 22.002 10.947 1.00 53.01 ? 191 PHE A CE2 1 ATOM 1058 C CZ . PHE A 1 167 ? 87.934 21.790 12.259 1.00 55.66 ? 191 PHE A CZ 1 ATOM 1059 N N . PRO A 1 168 ? 83.290 17.353 12.228 1.00 58.61 ? 192 PRO A N 1 ATOM 1060 C CA . PRO A 1 168 ? 83.062 16.748 13.544 1.00 61.33 ? 192 PRO A CA 1 ATOM 1061 C C . PRO A 1 168 ? 84.362 16.467 14.290 1.00 62.96 ? 192 PRO A C 1 ATOM 1062 O O . PRO A 1 168 ? 85.439 16.621 13.713 1.00 62.05 ? 192 PRO A O 1 ATOM 1063 C CB . PRO A 1 168 ? 82.340 15.444 13.203 1.00 67.03 ? 192 PRO A CB 1 ATOM 1064 C CG . PRO A 1 168 ? 82.854 15.082 11.854 1.00 68.13 ? 192 PRO A CG 1 ATOM 1065 C CD . PRO A 1 168 ? 83.127 16.377 11.136 1.00 62.67 ? 192 PRO A CD 1 ATOM 1066 N N . LEU A 1 169 ? 84.254 16.069 15.555 1.00 66.73 ? 193 LEU A N 1 ATOM 1067 C CA . LEU A 1 169 ? 85.419 15.719 16.360 1.00 70.13 ? 193 LEU A CA 1 ATOM 1068 C C . LEU A 1 169 ? 85.138 14.475 17.189 1.00 76.66 ? 193 LEU A C 1 ATOM 1069 O O . LEU A 1 169 ? 84.004 14.250 17.613 1.00 78.38 ? 193 LEU A O 1 ATOM 1070 C CB . LEU A 1 169 ? 85.803 16.873 17.288 1.00 65.81 ? 193 LEU A CB 1 ATOM 1071 C CG . LEU A 1 169 ? 86.177 18.205 16.642 1.00 59.88 ? 193 LEU A CG 1 ATOM 1072 C CD1 . LEU A 1 169 ? 86.292 19.282 17.708 1.00 62.41 ? 193 LEU A CD1 1 ATOM 1073 C CD2 . LEU A 1 169 ? 87.474 18.083 15.868 1.00 55.32 ? 193 LEU A CD2 1 ATOM 1074 N N . GLY A 1 170 ? 86.174 13.673 17.419 1.00 80.85 ? 194 GLY A N 1 ATOM 1075 C CA . GLY A 1 170 ? 86.053 12.492 18.253 1.00 87.49 ? 194 GLY A CA 1 ATOM 1076 C C . GLY A 1 170 ? 86.603 12.768 19.638 1.00 90.80 ? 194 GLY A C 1 ATOM 1077 O O . GLY A 1 170 ? 87.184 13.826 19.883 1.00 88.71 ? 194 GLY A O 1 ATOM 1078 N N . THR A 1 171 ? 86.426 11.815 20.547 1.00 94.96 ? 195 THR A N 1 ATOM 1079 C CA . THR A 1 171 ? 86.929 11.958 21.906 1.00 96.59 ? 195 THR A CA 1 ATOM 1080 C C . THR A 1 171 ? 88.437 11.724 21.941 1.00 95.43 ? 195 THR A C 1 ATOM 1081 O O . THR A 1 171 ? 89.127 12.177 22.854 1.00 95.23 ? 195 THR A O 1 ATOM 1082 C CB . THR A 1 171 ? 86.228 10.989 22.871 1.00 103.26 ? 195 THR A CB 1 ATOM 1083 O OG1 . THR A 1 171 ? 86.382 9.643 22.402 1.00 112.37 ? 195 THR A OG1 1 ATOM 1084 C CG2 . THR A 1 171 ? 84.745 11.324 22.972 1.00 98.11 ? 195 THR A CG2 1 ATOM 1085 N N . SER B 1 35 ? 95.362 15.395 7.130 1.00 81.37 ? 59 SER B N 1 ATOM 1086 C CA . SER B 1 35 ? 94.449 16.185 7.949 1.00 80.79 ? 59 SER B CA 1 ATOM 1087 C C . SER B 1 35 ? 93.891 17.373 7.170 1.00 79.67 ? 59 SER B C 1 ATOM 1088 O O . SER B 1 35 ? 94.580 18.376 6.973 1.00 77.48 ? 59 SER B O 1 ATOM 1089 C CB . SER B 1 35 ? 95.154 16.679 9.213 1.00 78.12 ? 59 SER B CB 1 ATOM 1090 O OG . SER B 1 35 ? 94.279 17.459 10.010 1.00 73.22 ? 59 SER B OG 1 ATOM 1091 N N . ALA B 1 36 ? 92.640 17.251 6.734 1.00 77.65 ? 60 ALA B N 1 ATOM 1092 C CA . ALA B 1 36 ? 91.961 18.325 6.016 1.00 68.79 ? 60 ALA B CA 1 ATOM 1093 C C . ALA B 1 36 ? 91.122 19.181 6.964 1.00 63.00 ? 60 ALA B C 1 ATOM 1094 O O . ALA B 1 36 ? 90.342 20.024 6.521 1.00 63.21 ? 60 ALA B O 1 ATOM 1095 C CB . ALA B 1 36 ? 91.087 17.749 4.913 1.00 68.54 ? 60 ALA B CB 1 ATOM 1096 N N . LYS B 1 37 ? 91.283 18.957 8.266 1.00 57.62 ? 61 LYS B N 1 ATOM 1097 C CA . LYS B 1 37 ? 90.568 19.726 9.280 1.00 53.61 ? 61 LYS B CA 1 ATOM 1098 C C . LYS B 1 37 ? 91.450 20.826 9.854 1.00 55.52 ? 61 LYS B C 1 ATOM 1099 O O . LYS B 1 37 ? 92.384 20.554 10.609 1.00 60.49 ? 61 LYS B O 1 ATOM 1100 C CB . LYS B 1 37 ? 90.074 18.824 10.412 1.00 56.01 ? 61 LYS B CB 1 ATOM 1101 C CG . LYS B 1 37 ? 89.067 17.769 9.985 1.00 62.84 ? 61 LYS B CG 1 ATOM 1102 C CD . LYS B 1 37 ? 88.727 16.845 11.141 1.00 66.44 ? 61 LYS B CD 1 ATOM 1103 C CE . LYS B 1 37 ? 87.600 15.894 10.787 1.00 69.58 ? 61 LYS B CE 1 ATOM 1104 N NZ . LYS B 1 37 ? 87.021 15.265 12.005 1.00 74.69 ? 61 LYS B NZ 1 ATOM 1105 N N . VAL B 1 38 ? 91.150 22.066 9.482 1.00 51.52 ? 62 VAL B N 1 ATOM 1106 C CA . VAL B 1 38 ? 91.895 23.226 9.959 1.00 44.67 ? 62 VAL B CA 1 ATOM 1107 C C . VAL B 1 38 ? 90.931 24.383 10.186 1.00 41.72 ? 62 VAL B C 1 ATOM 1108 O O . VAL B 1 38 ? 90.211 24.788 9.275 1.00 39.16 ? 62 VAL B O 1 ATOM 1109 C CB . VAL B 1 38 ? 92.992 23.652 8.959 1.00 40.58 ? 62 VAL B CB 1 ATOM 1110 C CG1 . VAL B 1 38 ? 93.712 24.905 9.443 1.00 35.20 ? 62 VAL B CG1 1 ATOM 1111 C CG2 . VAL B 1 38 ? 93.985 22.526 8.746 1.00 48.77 ? 62 VAL B CG2 1 ATOM 1112 N N . ALA B 1 39 ? 90.920 24.911 11.406 1.00 38.08 ? 63 ALA B N 1 ATOM 1113 C CA . ALA B 1 39 ? 90.020 26.004 11.753 1.00 35.93 ? 63 ALA B CA 1 ATOM 1114 C C . ALA B 1 39 ? 90.474 26.707 13.027 1.00 36.68 ? 63 ALA B C 1 ATOM 1115 O O . ALA B 1 39 ? 91.017 26.077 13.935 1.00 42.35 ? 63 ALA B O 1 ATOM 1116 C CB . ALA B 1 39 ? 88.605 25.485 11.916 1.00 38.46 ? 63 ALA B CB 1 ATOM 1117 N N . PHE B 1 40 ? 90.238 28.015 13.088 1.00 32.59 ? 64 PHE B N 1 ATOM 1118 C CA . PHE B 1 40 ? 90.584 28.804 14.264 1.00 34.99 ? 64 PHE B CA 1 ATOM 1119 C C . PHE B 1 40 ? 89.552 29.894 14.518 1.00 36.81 ? 64 PHE B C 1 ATOM 1120 O O . PHE B 1 40 ? 88.855 30.332 13.603 1.00 35.64 ? 64 PHE B O 1 ATOM 1121 C CB . PHE B 1 40 ? 91.967 29.435 14.107 1.00 32.57 ? 64 PHE B CB 1 ATOM 1122 C CG . PHE B 1 40 ? 91.980 30.654 13.227 1.00 32.77 ? 64 PHE B CG 1 ATOM 1123 C CD1 . PHE B 1 40 ? 92.085 30.530 11.852 1.00 31.86 ? 64 PHE B CD1 1 ATOM 1124 C CD2 . PHE B 1 40 ? 91.889 31.923 13.776 1.00 31.96 ? 64 PHE B CD2 1 ATOM 1125 C CE1 . PHE B 1 40 ? 92.097 31.649 11.040 1.00 30.02 ? 64 PHE B CE1 1 ATOM 1126 C CE2 . PHE B 1 40 ? 91.900 33.046 12.969 1.00 30.04 ? 64 PHE B CE2 1 ATOM 1127 C CZ . PHE B 1 40 ? 92.005 32.909 11.600 1.00 29.81 ? 64 PHE B CZ 1 ATOM 1128 N N . SER B 1 41 ? 89.464 30.331 15.769 1.00 32.45 ? 65 SER B N 1 ATOM 1129 C CA . SER B 1 41 ? 88.531 31.380 16.145 1.00 25.15 ? 65 SER B CA 1 ATOM 1130 C C . SER B 1 41 ? 89.040 32.115 17.376 1.00 29.33 ? 65 SER B C 1 ATOM 1131 O O . SER B 1 41 ? 89.348 31.493 18.393 1.00 37.28 ? 65 SER B O 1 ATOM 1132 C CB . SER B 1 41 ? 87.152 30.793 16.411 1.00 29.42 ? 65 SER B CB 1 ATOM 1133 O OG . SER B 1 41 ? 86.137 31.729 16.104 1.00 33.12 ? 65 SER B OG 1 ATOM 1134 N N . ALA B 1 42 ? 89.129 33.438 17.279 1.00 28.05 ? 66 ALA B N 1 ATOM 1135 C CA . ALA B 1 42 ? 89.646 34.259 18.369 1.00 27.78 ? 66 ALA B CA 1 ATOM 1136 C C . ALA B 1 42 ? 88.770 35.488 18.582 1.00 29.56 ? 66 ALA B C 1 ATOM 1137 O O . ALA B 1 42 ? 88.154 35.992 17.638 1.00 26.73 ? 66 ALA B O 1 ATOM 1138 C CB . ALA B 1 42 ? 91.077 34.672 18.085 1.00 27.77 ? 66 ALA B CB 1 ATOM 1139 N N . ILE B 1 43 ? 88.715 35.962 19.825 1.00 26.85 ? 67 ILE B N 1 ATOM 1140 C CA . ILE B 1 43 ? 87.922 37.138 20.167 1.00 28.17 ? 67 ILE B CA 1 ATOM 1141 C C . ILE B 1 43 ? 88.682 38.074 21.106 1.00 32.38 ? 67 ILE B C 1 ATOM 1142 O O . ILE B 1 43 ? 89.569 37.646 21.845 1.00 35.09 ? 67 ILE B O 1 ATOM 1143 C CB . ILE B 1 43 ? 86.570 36.746 20.825 1.00 32.17 ? 67 ILE B CB 1 ATOM 1144 C CG1 . ILE B 1 43 ? 86.791 36.191 22.237 1.00 43.02 ? 67 ILE B CG1 1 ATOM 1145 C CG2 . ILE B 1 43 ? 85.832 35.737 19.954 1.00 30.32 ? 67 ILE B CG2 1 ATOM 1146 C CD1 . ILE B 1 43 ? 85.512 35.795 22.957 1.00 53.58 ? 67 ILE B CD1 1 ATOM 1147 N N . ARG B 1 44 ? 88.321 39.353 21.066 1.00 39.00 ? 68 ARG B N 1 ATOM 1148 C CA . ARG B 1 44 ? 88.836 40.339 22.011 1.00 46.51 ? 68 ARG B CA 1 ATOM 1149 C C . ARG B 1 44 ? 87.851 40.492 23.165 1.00 44.76 ? 68 ARG B C 1 ATOM 1150 O O . ARG B 1 44 ? 86.754 41.024 22.987 1.00 44.36 ? 68 ARG B O 1 ATOM 1151 C CB . ARG B 1 44 ? 89.072 41.683 21.317 1.00 51.44 ? 68 ARG B CB 1 ATOM 1152 C CG . ARG B 1 44 ? 89.664 42.756 22.216 1.00 55.72 ? 68 ARG B CG 1 ATOM 1153 C CD . ARG B 1 44 ? 91.057 42.383 22.676 1.00 57.70 ? 68 ARG B CD 1 ATOM 1154 N NE . ARG B 1 44 ? 91.723 43.487 23.356 1.00 62.72 ? 68 ARG B NE 1 ATOM 1155 C CZ . ARG B 1 44 ? 92.912 43.395 23.943 1.00 63.03 ? 68 ARG B CZ 1 ATOM 1156 N NH1 . ARG B 1 44 ? 93.571 42.244 23.943 1.00 61.65 ? 68 ARG B NH1 1 ATOM 1157 N NH2 . ARG B 1 44 ? 93.441 44.456 24.536 1.00 68.51 ? 68 ARG B NH2 1 ATOM 1158 N N . SER B 1 45 ? 88.249 40.019 24.342 1.00 41.02 ? 69 SER B N 1 ATOM 1159 C CA . SER B 1 45 ? 87.338 39.898 25.477 1.00 46.97 ? 69 SER B CA 1 ATOM 1160 C C . SER B 1 45 ? 87.454 41.012 26.520 1.00 46.24 ? 69 SER B C 1 ATOM 1161 O O . SER B 1 45 ? 86.831 40.924 27.577 1.00 47.92 ? 69 SER B O 1 ATOM 1162 C CB . SER B 1 45 ? 87.561 38.550 26.168 1.00 49.70 ? 69 SER B CB 1 ATOM 1163 O OG . SER B 1 45 ? 88.869 38.458 26.705 1.00 51.90 ? 69 SER B OG 1 ATOM 1164 N N . THR B 1 46 ? 88.244 42.048 26.244 1.00 44.37 ? 70 THR B N 1 ATOM 1165 C CA . THR B 1 46 ? 88.506 43.077 27.251 1.00 48.50 ? 70 THR B CA 1 ATOM 1166 C C . THR B 1 46 ? 88.615 44.496 26.699 1.00 50.38 ? 70 THR B C 1 ATOM 1167 O O . THR B 1 46 ? 88.931 44.710 25.528 1.00 50.39 ? 70 THR B O 1 ATOM 1168 C CB . THR B 1 46 ? 89.802 42.782 28.022 1.00 51.55 ? 70 THR B CB 1 ATOM 1169 O OG1 . THR B 1 46 ? 90.925 42.913 27.141 1.00 57.66 ? 70 THR B OG1 1 ATOM 1170 C CG2 . THR B 1 46 ? 89.774 41.379 28.612 1.00 50.79 ? 70 THR B CG2 1 ATOM 1171 N N . ASN B 1 47 ? 88.353 45.457 27.578 1.00 55.78 ? 71 ASN B N 1 ATOM 1172 C CA . ASN B 1 47 ? 88.468 46.877 27.267 1.00 61.56 ? 71 ASN B CA 1 ATOM 1173 C C . ASN B 1 47 ? 89.909 47.350 27.087 1.00 55.99 ? 71 ASN B C 1 ATOM 1174 O O . ASN B 1 47 ? 90.143 48.475 26.646 1.00 55.69 ? 71 ASN B O 1 ATOM 1175 C CB . ASN B 1 47 ? 87.816 47.700 28.381 1.00 79.57 ? 71 ASN B CB 1 ATOM 1176 C CG . ASN B 1 47 ? 86.361 47.331 28.610 1.00 97.96 ? 71 ASN B CG 1 ATOM 1177 O OD1 . ASN B 1 47 ? 85.467 47.825 27.924 1.00 110.61 ? 71 ASN B OD1 1 ATOM 1178 N ND2 . ASN B 1 47 ? 86.119 46.460 29.583 1.00 96.08 ? 71 ASN B ND2 1 ATOM 1179 N N . HIS B 1 48 ? 90.865 46.496 27.445 1.00 48.82 ? 72 HIS B N 1 ATOM 1180 C CA . HIS B 1 48 ? 92.274 46.883 27.521 1.00 48.89 ? 72 HIS B CA 1 ATOM 1181 C C . HIS B 1 48 ? 92.795 47.611 26.282 1.00 49.25 ? 72 HIS B C 1 ATOM 1182 O O . HIS B 1 48 ? 92.411 47.309 25.154 1.00 51.32 ? 72 HIS B O 1 ATOM 1183 C CB . HIS B 1 48 ? 93.134 45.649 27.796 1.00 51.76 ? 72 HIS B CB 1 ATOM 1184 C CG . HIS B 1 48 ? 93.014 45.140 29.199 1.00 57.49 ? 72 HIS B CG 1 ATOM 1185 N ND1 . HIS B 1 48 ? 92.198 44.084 29.542 1.00 59.99 ? 72 HIS B ND1 1 ATOM 1186 C CD2 . HIS B 1 48 ? 93.589 45.560 30.351 1.00 60.70 ? 72 HIS B CD2 1 ATOM 1187 C CE1 . HIS B 1 48 ? 92.286 43.865 30.843 1.00 60.31 ? 72 HIS B CE1 1 ATOM 1188 N NE2 . HIS B 1 48 ? 93.122 44.748 31.356 1.00 61.61 ? 72 HIS B NE2 1 ATOM 1189 N N . GLU B 1 49 ? 93.679 48.576 26.519 1.00 52.95 ? 73 GLU B N 1 ATOM 1190 C CA . GLU B 1 49 ? 94.206 49.439 25.467 1.00 54.40 ? 73 GLU B CA 1 ATOM 1191 C C . GLU B 1 49 ? 95.246 48.724 24.613 1.00 54.85 ? 73 GLU B C 1 ATOM 1192 O O . GLU B 1 49 ? 95.782 47.692 25.017 1.00 55.27 ? 73 GLU B O 1 ATOM 1193 C CB . GLU B 1 49 ? 94.826 50.698 26.079 1.00 58.85 ? 73 GLU B CB 1 ATOM 1194 C CG . GLU B 1 49 ? 93.846 51.582 26.828 1.00 63.37 ? 73 GLU B CG 1 ATOM 1195 C CD . GLU B 1 49 ? 92.823 52.221 25.912 1.00 61.85 ? 73 GLU B CD 1 ATOM 1196 O OE1 . GLU B 1 49 ? 93.079 52.287 24.692 1.00 60.80 ? 73 GLU B OE1 1 ATOM 1197 O OE2 . GLU B 1 49 ? 91.764 52.657 26.411 1.00 61.47 ? 73 GLU B OE2 1 ATOM 1198 N N . PRO B 1 50 ? 95.533 49.271 23.420 1.00 54.35 ? 74 PRO B N 1 ATOM 1199 C CA . PRO B 1 50 ? 96.596 48.727 22.568 1.00 56.69 ? 74 PRO B CA 1 ATOM 1200 C C . PRO B 1 50 ? 97.958 48.737 23.249 1.00 64.40 ? 74 PRO B C 1 ATOM 1201 O O . PRO B 1 50 ? 98.331 49.741 23.857 1.00 67.21 ? 74 PRO B O 1 ATOM 1202 C CB . PRO B 1 50 ? 96.592 49.667 21.360 1.00 53.53 ? 74 PRO B CB 1 ATOM 1203 C CG . PRO B 1 50 ? 95.228 50.233 21.324 1.00 50.88 ? 74 PRO B CG 1 ATOM 1204 C CD . PRO B 1 50 ? 94.808 50.367 22.753 1.00 52.87 ? 74 PRO B CD 1 ATOM 1205 N N . SER B 1 51 ? 98.689 47.632 23.143 1.00 68.38 ? 75 SER B N 1 ATOM 1206 C CA . SER B 1 51 ? 100.041 47.562 23.677 1.00 75.61 ? 75 SER B CA 1 ATOM 1207 C C . SER B 1 51 ? 100.957 48.459 22.856 1.00 78.66 ? 75 SER B C 1 ATOM 1208 O O . SER B 1 51 ? 100.613 48.848 21.740 1.00 75.89 ? 75 SER B O 1 ATOM 1209 C CB . SER B 1 51 ? 100.554 46.121 23.668 1.00 77.77 ? 75 SER B CB 1 ATOM 1210 O OG . SER B 1 51 ? 100.470 45.559 22.369 1.00 77.74 ? 75 SER B OG 1 ATOM 1211 N N . GLU B 1 52 ? 102.125 48.779 23.405 1.00 84.18 ? 76 GLU B N 1 ATOM 1212 C CA . GLU B 1 52 ? 103.102 49.591 22.692 1.00 86.85 ? 76 GLU B CA 1 ATOM 1213 C C . GLU B 1 52 ? 103.535 48.879 21.414 1.00 82.47 ? 76 GLU B C 1 ATOM 1214 O O . GLU B 1 52 ? 103.907 49.518 20.430 1.00 75.20 ? 76 GLU B O 1 ATOM 1215 C CB . GLU B 1 52 ? 104.311 49.888 23.582 1.00 92.93 ? 76 GLU B CB 1 ATOM 1216 C CG . GLU B 1 52 ? 105.290 50.888 22.982 1.00 91.94 ? 76 GLU B CG 1 ATOM 1217 C CD . GLU B 1 52 ? 106.442 50.222 22.248 1.00 85.83 ? 76 GLU B CD 1 ATOM 1218 O OE1 . GLU B 1 52 ? 107.112 49.355 22.847 1.00 79.56 ? 76 GLU B OE1 1 ATOM 1219 O OE2 . GLU B 1 52 ? 106.675 50.565 21.070 1.00 82.48 ? 76 GLU B OE2 1 ATOM 1220 N N . MET B 1 53 ? 103.477 47.551 21.438 1.00 87.41 ? 77 MET B N 1 ATOM 1221 C CA . MET B 1 53 ? 103.784 46.741 20.265 1.00 90.66 ? 77 MET B CA 1 ATOM 1222 C C . MET B 1 53 ? 102.769 46.978 19.154 1.00 94.69 ? 77 MET B C 1 ATOM 1223 O O . MET B 1 53 ? 103.125 47.064 17.978 1.00 92.47 ? 77 MET B O 1 ATOM 1224 C CB . MET B 1 53 ? 103.801 45.259 20.641 1.00 89.10 ? 77 MET B CB 1 ATOM 1225 C CG . MET B 1 53 ? 104.048 44.320 19.470 1.00 85.80 ? 77 MET B CG 1 ATOM 1226 S SD . MET B 1 53 ? 104.151 42.587 19.963 1.00 286.31 ? 77 MET B SD 1 ATOM 1227 C CE . MET B 1 53 ? 102.541 42.336 20.710 1.00 162.60 ? 77 MET B CE 1 ATOM 1228 N N . SER B 1 54 ? 101.503 47.089 19.540 1.00 100.31 ? 78 SER B N 1 ATOM 1229 C CA . SER B 1 54 ? 100.423 47.319 18.590 1.00 102.13 ? 78 SER B CA 1 ATOM 1230 C C . SER B 1 54 ? 100.620 48.646 17.868 1.00 109.18 ? 78 SER B C 1 ATOM 1231 O O . SER B 1 54 ? 100.392 48.745 16.662 1.00 111.90 ? 78 SER B O 1 ATOM 1232 C CB . SER B 1 54 ? 99.068 47.296 19.300 1.00 99.18 ? 78 SER B CB 1 ATOM 1233 O OG . SER B 1 54 ? 98.961 46.176 20.165 1.00 95.39 ? 78 SER B OG 1 ATOM 1234 N N . ASN B 1 55 ? 101.040 49.661 18.616 1.00 112.54 ? 79 ASN B N 1 ATOM 1235 C CA . ASN B 1 55 ? 101.322 50.977 18.054 1.00 113.27 ? 79 ASN B CA 1 ATOM 1236 C C . ASN B 1 55 ? 102.353 50.916 16.928 1.00 106.21 ? 79 ASN B C 1 ATOM 1237 O O . ASN B 1 55 ? 102.300 51.701 15.980 1.00 107.50 ? 79 ASN B O 1 ATOM 1238 C CB . ASN B 1 55 ? 101.816 51.915 19.153 1.00 123.78 ? 79 ASN B CB 1 ATOM 1239 C CG . ASN B 1 55 ? 100.685 52.617 19.875 1.00 135.74 ? 79 ASN B CG 1 ATOM 1240 O OD1 . ASN B 1 55 ? 99.978 52.016 20.684 1.00 132.08 ? 79 ASN B OD1 1 ATOM 1241 N ND2 . ASN B 1 55 ? 100.515 53.900 19.591 1.00 144.37 ? 79 ASN B ND2 1 ATOM 1242 N N . ARG B 1 56 ? 103.289 49.978 17.041 1.00 95.08 ? 80 ARG B N 1 ATOM 1243 C CA . ARG B 1 56 ? 104.337 49.800 16.040 1.00 82.97 ? 80 ARG B CA 1 ATOM 1244 C C . ARG B 1 56 ? 103.897 48.933 14.860 1.00 68.88 ? 80 ARG B C 1 ATOM 1245 O O . ARG B 1 56 ? 104.054 49.335 13.708 1.00 68.65 ? 80 ARG B O 1 ATOM 1246 C CB . ARG B 1 56 ? 105.598 49.218 16.692 1.00 83.11 ? 80 ARG B CB 1 ATOM 1247 C CG . ARG B 1 56 ? 106.478 50.281 17.343 1.00 85.65 ? 80 ARG B CG 1 ATOM 1248 C CD . ARG B 1 56 ? 107.780 49.721 17.910 1.00 88.14 ? 80 ARG B CD 1 ATOM 1249 N NE . ARG B 1 56 ? 107.564 48.729 18.964 1.00 89.53 ? 80 ARG B NE 1 ATOM 1250 C CZ . ARG B 1 56 ? 107.433 47.419 18.778 1.00 90.35 ? 80 ARG B CZ 1 ATOM 1251 N NH1 . ARG B 1 56 ? 107.481 46.893 17.560 1.00 86.43 ? 80 ARG B NH1 1 ATOM 1252 N NH2 . ARG B 1 56 ? 107.245 46.630 19.827 1.00 92.21 ? 80 ARG B NH2 1 ATOM 1253 N N . THR B 1 57 ? 103.341 47.758 15.141 1.00 56.30 ? 81 THR B N 1 ATOM 1254 C CA . THR B 1 57 ? 103.019 46.804 14.082 1.00 46.12 ? 81 THR B CA 1 ATOM 1255 C C . THR B 1 57 ? 101.651 47.068 13.457 1.00 43.72 ? 81 THR B C 1 ATOM 1256 O O . THR B 1 57 ? 101.387 46.631 12.339 1.00 44.84 ? 81 THR B O 1 ATOM 1257 C CB . THR B 1 57 ? 103.033 45.351 14.607 1.00 42.61 ? 81 THR B CB 1 ATOM 1258 O OG1 . THR B 1 57 ? 101.951 45.156 15.528 1.00 45.44 ? 81 THR B OG1 1 ATOM 1259 C CG2 . THR B 1 57 ? 104.346 45.039 15.299 1.00 44.20 ? 81 THR B CG2 1 ATOM 1260 N N . MET B 1 58 ? 100.792 47.781 14.181 1.00 40.90 ? 82 MET B N 1 ATOM 1261 C CA . MET B 1 58 ? 99.443 48.093 13.710 1.00 38.16 ? 82 MET B CA 1 ATOM 1262 C C . MET B 1 58 ? 98.615 46.822 13.499 1.00 35.30 ? 82 MET B C 1 ATOM 1263 O O . MET B 1 58 ? 97.613 46.836 12.784 1.00 33.86 ? 82 MET B O 1 ATOM 1264 C CB . MET B 1 58 ? 99.497 48.911 12.416 1.00 37.90 ? 82 MET B CB 1 ATOM 1265 C CG . MET B 1 58 ? 100.256 50.214 12.556 1.00 41.45 ? 82 MET B CG 1 ATOM 1266 S SD . MET B 1 58 ? 100.493 51.052 10.980 1.00 236.64 ? 82 MET B SD 1 ATOM 1267 C CE . MET B 1 58 ? 101.288 52.563 11.531 1.00 106.48 ? 82 MET B CE 1 ATOM 1268 N N . ILE B 1 59 ? 99.043 45.725 14.118 1.00 35.73 ? 83 ILE B N 1 ATOM 1269 C CA . ILE B 1 59 ? 98.321 44.460 14.030 1.00 33.75 ? 83 ILE B CA 1 ATOM 1270 C C . ILE B 1 59 ? 97.283 44.358 15.139 1.00 36.19 ? 83 ILE B C 1 ATOM 1271 O O . ILE B 1 59 ? 97.544 44.726 16.283 1.00 44.42 ? 83 ILE B O 1 ATOM 1272 C CB . ILE B 1 59 ? 99.287 43.258 14.105 1.00 32.67 ? 83 ILE B CB 1 ATOM 1273 C CG1 . ILE B 1 59 ? 100.189 43.241 12.871 1.00 34.71 ? 83 ILE B CG1 1 ATOM 1274 C CG2 . ILE B 1 59 ? 98.521 41.941 14.203 1.00 28.22 ? 83 ILE B CG2 1 ATOM 1275 C CD1 . ILE B 1 59 ? 101.328 42.255 12.950 1.00 41.03 ? 83 ILE B CD1 1 ATOM 1276 N N . ILE B 1 60 ? 96.109 43.846 14.790 1.00 34.33 ? 84 ILE B N 1 ATOM 1277 C CA . ILE B 1 60 ? 95.028 43.665 15.749 1.00 31.50 ? 84 ILE B CA 1 ATOM 1278 C C . ILE B 1 60 ? 95.185 42.323 16.458 1.00 34.02 ? 84 ILE B C 1 ATOM 1279 O O . ILE B 1 60 ? 95.178 41.269 15.821 1.00 37.74 ? 84 ILE B O 1 ATOM 1280 C CB . ILE B 1 60 ? 93.653 43.749 15.054 1.00 32.27 ? 84 ILE B CB 1 ATOM 1281 C CG1 . ILE B 1 60 ? 93.448 45.149 14.470 1.00 35.73 ? 84 ILE B CG1 1 ATOM 1282 C CG2 . ILE B 1 60 ? 92.528 43.425 16.024 1.00 31.21 ? 84 ILE B CG2 1 ATOM 1283 C CD1 . ILE B 1 60 ? 92.392 45.221 13.399 1.00 39.49 ? 84 ILE B CD1 1 ATOM 1284 N N A TYR B 1 61 ? 95.336 42.369 17.777 0.50 38.60 ? 85 TYR B N 1 ATOM 1285 N N B TYR B 1 61 ? 95.310 42.384 17.781 0.50 38.60 ? 85 TYR B N 1 ATOM 1286 C CA A TYR B 1 61 ? 95.584 41.162 18.557 0.50 41.78 ? 85 TYR B CA 1 ATOM 1287 C CA B TYR B 1 61 ? 95.577 41.214 18.613 0.50 37.69 ? 85 TYR B CA 1 ATOM 1288 C C A TYR B 1 61 ? 94.325 40.680 19.270 0.50 35.83 ? 85 TYR B C 1 ATOM 1289 C C B TYR B 1 61 ? 94.311 40.685 19.284 0.50 35.91 ? 85 TYR B C 1 ATOM 1290 O O A TYR B 1 61 ? 93.530 41.477 19.768 0.50 41.47 ? 85 TYR B O 1 ATOM 1291 O O B TYR B 1 61 ? 93.487 41.461 19.770 0.50 41.36 ? 85 TYR B O 1 ATOM 1292 C CB A TYR B 1 61 ? 96.709 41.400 19.565 0.50 42.63 ? 85 TYR B CB 1 ATOM 1293 C CB B TYR B 1 61 ? 96.629 41.571 19.668 0.50 43.37 ? 85 TYR B CB 1 ATOM 1294 C CG A TYR B 1 61 ? 98.043 41.688 18.910 0.50 45.60 ? 85 TYR B CG 1 ATOM 1295 C CG B TYR B 1 61 ? 96.739 40.604 20.827 0.50 44.07 ? 85 TYR B CG 1 ATOM 1296 C CD1 A TYR B 1 61 ? 98.828 40.655 18.413 0.50 45.35 ? 85 TYR B CD1 1 ATOM 1297 C CD1 B TYR B 1 61 ? 97.341 39.363 20.670 0.50 45.79 ? 85 TYR B CD1 1 ATOM 1298 C CD2 A TYR B 1 61 ? 98.516 42.987 18.785 0.50 46.16 ? 85 TYR B CD2 1 ATOM 1299 C CD2 B TYR B 1 61 ? 96.266 40.946 22.086 0.50 45.77 ? 85 TYR B CD2 1 ATOM 1300 C CE1 A TYR B 1 61 ? 100.044 40.908 17.812 0.50 46.58 ? 85 TYR B CE1 1 ATOM 1301 C CE1 B TYR B 1 61 ? 97.452 38.484 21.731 0.50 48.66 ? 85 TYR B CE1 1 ATOM 1302 C CE2 A TYR B 1 61 ? 99.732 43.250 18.185 0.50 47.03 ? 85 TYR B CE2 1 ATOM 1303 C CE2 B TYR B 1 61 ? 96.373 40.074 23.152 0.50 48.15 ? 85 TYR B CE2 1 ATOM 1304 C CZ A TYR B 1 61 ? 100.491 42.205 17.700 0.50 48.15 ? 85 TYR B CZ 1 ATOM 1305 C CZ B TYR B 1 61 ? 96.967 38.845 22.969 0.50 47.99 ? 85 TYR B CZ 1 ATOM 1306 O OH A TYR B 1 61 ? 101.705 42.456 17.101 0.50 48.33 ? 85 TYR B OH 1 ATOM 1307 O OH B TYR B 1 61 ? 97.077 37.972 24.026 0.50 49.85 ? 85 TYR B OH 1 ATOM 1308 N N . PHE B 1 62 ? 94.163 39.360 19.302 1.00 40.42 ? 86 PHE B N 1 ATOM 1309 C CA . PHE B 1 62 ? 93.026 38.712 19.951 1.00 44.61 ? 86 PHE B CA 1 ATOM 1310 C C . PHE B 1 62 ? 93.514 37.806 21.078 1.00 52.52 ? 86 PHE B C 1 ATOM 1311 O O . PHE B 1 62 ? 94.244 36.842 20.840 1.00 55.12 ? 86 PHE B O 1 ATOM 1312 C CB . PHE B 1 62 ? 92.216 37.910 18.934 1.00 33.38 ? 86 PHE B CB 1 ATOM 1313 C CG . PHE B 1 62 ? 91.668 38.742 17.812 1.00 30.44 ? 86 PHE B CG 1 ATOM 1314 C CD1 . PHE B 1 62 ? 92.441 39.025 16.699 1.00 28.62 ? 86 PHE B CD1 1 ATOM 1315 C CD2 . PHE B 1 62 ? 90.380 39.240 17.870 1.00 29.26 ? 86 PHE B CD2 1 ATOM 1316 C CE1 . PHE B 1 62 ? 91.936 39.792 15.665 1.00 26.76 ? 86 PHE B CE1 1 ATOM 1317 C CE2 . PHE B 1 62 ? 89.871 40.007 16.839 1.00 28.02 ? 86 PHE B CE2 1 ATOM 1318 C CZ . PHE B 1 62 ? 90.650 40.285 15.738 1.00 24.59 ? 86 PHE B CZ 1 ATOM 1319 N N . ASP B 1 63 ? 93.100 38.115 22.303 1.00 65.56 ? 87 ASP B N 1 ATOM 1320 C CA . ASP B 1 63 ? 93.644 37.454 23.486 1.00 77.38 ? 87 ASP B CA 1 ATOM 1321 C C . ASP B 1 63 ? 93.051 36.066 23.716 1.00 70.09 ? 87 ASP B C 1 ATOM 1322 O O . ASP B 1 63 ? 93.753 35.158 24.166 1.00 71.20 ? 87 ASP B O 1 ATOM 1323 C CB . ASP B 1 63 ? 93.420 38.321 24.729 1.00 91.53 ? 87 ASP B CB 1 ATOM 1324 C CG . ASP B 1 63 ? 91.951 38.505 25.059 1.00 99.72 ? 87 ASP B CG 1 ATOM 1325 O OD1 . ASP B 1 63 ? 91.384 37.638 25.758 1.00 100.54 ? 87 ASP B OD1 1 ATOM 1326 O OD2 . ASP B 1 63 ? 91.364 39.517 24.621 1.00 102.72 ? 87 ASP B OD2 1 ATOM 1327 N N . GLN B 1 64 ? 91.767 35.903 23.409 1.00 63.85 ? 88 GLN B N 1 ATOM 1328 C CA . GLN B 1 64 ? 91.065 34.655 23.696 1.00 62.58 ? 88 GLN B CA 1 ATOM 1329 C C . GLN B 1 64 ? 90.809 33.843 22.438 1.00 55.06 ? 88 GLN B C 1 ATOM 1330 O O . GLN B 1 64 ? 90.212 34.336 21.483 1.00 58.28 ? 88 GLN B O 1 ATOM 1331 C CB . GLN B 1 64 ? 89.735 34.936 24.397 1.00 66.97 ? 88 GLN B CB 1 ATOM 1332 C CG . GLN B 1 64 ? 88.971 33.675 24.771 1.00 75.30 ? 88 GLN B CG 1 ATOM 1333 C CD . GLN B 1 64 ? 87.765 33.956 25.644 1.00 85.30 ? 88 GLN B CD 1 ATOM 1334 O OE1 . GLN B 1 64 ? 87.298 35.092 25.730 1.00 82.62 ? 88 GLN B OE1 1 ATOM 1335 N NE2 . GLN B 1 64 ? 87.250 32.918 26.294 1.00 95.08 ? 88 GLN B NE2 1 ATOM 1336 N N . VAL B 1 65 ? 91.255 32.589 22.458 1.00 53.14 ? 89 VAL B N 1 ATOM 1337 C CA . VAL B 1 65 ? 91.101 31.681 21.326 1.00 51.83 ? 89 VAL B CA 1 ATOM 1338 C C . VAL B 1 65 ? 90.073 30.602 21.649 1.00 50.27 ? 89 VAL B C 1 ATOM 1339 O O . VAL B 1 65 ? 90.294 29.758 22.517 1.00 54.47 ? 89 VAL B O 1 ATOM 1340 C CB . VAL B 1 65 ? 92.443 31.021 20.953 1.00 52.24 ? 89 VAL B CB 1 ATOM 1341 C CG1 . VAL B 1 65 ? 92.270 30.059 19.784 1.00 57.32 ? 89 VAL B CG1 1 ATOM 1342 C CG2 . VAL B 1 65 ? 93.476 32.080 20.614 1.00 45.46 ? 89 VAL B CG2 1 ATOM 1343 N N . LEU B 1 66 ? 88.949 30.638 20.942 1.00 47.49 ? 90 LEU B N 1 ATOM 1344 C CA . LEU B 1 66 ? 87.875 29.673 21.147 1.00 45.37 ? 90 LEU B CA 1 ATOM 1345 C C . LEU B 1 66 ? 88.171 28.358 20.432 1.00 42.61 ? 90 LEU B C 1 ATOM 1346 O O . LEU B 1 66 ? 87.842 27.280 20.926 1.00 45.25 ? 90 LEU B O 1 ATOM 1347 C CB . LEU B 1 66 ? 86.546 30.249 20.650 1.00 42.41 ? 90 LEU B CB 1 ATOM 1348 C CG . LEU B 1 66 ? 86.144 31.606 21.235 1.00 41.21 ? 90 LEU B CG 1 ATOM 1349 C CD1 . LEU B 1 66 ? 84.829 32.072 20.633 1.00 36.90 ? 90 LEU B CD1 1 ATOM 1350 C CD2 . LEU B 1 66 ? 86.054 31.554 22.753 1.00 43.87 ? 90 LEU B CD2 1 ATOM 1351 N N . VAL B 1 67 ? 88.800 28.466 19.266 1.00 38.71 ? 91 VAL B N 1 ATOM 1352 C CA . VAL B 1 67 ? 89.076 27.316 18.415 1.00 38.81 ? 91 VAL B CA 1 ATOM 1353 C C . VAL B 1 67 ? 90.461 27.451 17.798 1.00 41.09 ? 91 VAL B C 1 ATOM 1354 O O . VAL B 1 67 ? 90.867 28.545 17.409 1.00 40.19 ? 91 VAL B O 1 ATOM 1355 C CB . VAL B 1 67 ? 88.026 27.182 17.287 1.00 36.71 ? 91 VAL B CB 1 ATOM 1356 C CG1 . VAL B 1 67 ? 88.361 26.012 16.366 1.00 40.24 ? 91 VAL B CG1 1 ATOM 1357 C CG2 . VAL B 1 67 ? 86.632 27.018 17.868 1.00 36.30 ? 91 VAL B CG2 1 ATOM 1358 N N . ASN B 1 68 ? 91.188 26.340 17.726 1.00 43.82 ? 92 ASN B N 1 ATOM 1359 C CA . ASN B 1 68 ? 92.473 26.317 17.037 1.00 40.98 ? 92 ASN B CA 1 ATOM 1360 C C . ASN B 1 68 ? 92.892 24.901 16.658 1.00 47.80 ? 92 ASN B C 1 ATOM 1361 O O . ASN B 1 68 ? 93.941 24.415 17.085 1.00 53.82 ? 92 ASN B O 1 ATOM 1362 C CB . ASN B 1 68 ? 93.553 26.968 17.901 1.00 35.56 ? 92 ASN B CB 1 ATOM 1363 C CG . ASN B 1 68 ? 94.825 27.244 17.127 1.00 40.84 ? 92 ASN B CG 1 ATOM 1364 O OD1 . ASN B 1 68 ? 94.864 27.101 15.904 1.00 43.83 ? 92 ASN B OD1 1 ATOM 1365 N ND2 . ASN B 1 68 ? 95.876 27.635 17.836 1.00 44.36 ? 92 ASN B ND2 1 ATOM 1366 N N . ILE B 1 69 ? 92.071 24.245 15.846 1.00 46.59 ? 93 ILE B N 1 ATOM 1367 C CA . ILE B 1 69 ? 92.384 22.906 15.363 1.00 47.13 ? 93 ILE B CA 1 ATOM 1368 C C . ILE B 1 69 ? 93.588 22.967 14.427 1.00 49.88 ? 93 ILE B C 1 ATOM 1369 O O . ILE B 1 69 ? 93.646 23.810 13.529 1.00 47.49 ? 93 ILE B O 1 ATOM 1370 C CB . ILE B 1 69 ? 91.166 22.267 14.649 1.00 46.92 ? 93 ILE B CB 1 ATOM 1371 C CG1 . ILE B 1 69 ? 90.271 21.539 15.654 1.00 46.64 ? 93 ILE B CG1 1 ATOM 1372 C CG2 . ILE B 1 69 ? 91.600 21.286 13.562 1.00 45.52 ? 93 ILE B CG2 1 ATOM 1373 C CD1 . ILE B 1 69 ? 89.909 22.357 16.882 1.00 51.02 ? 93 ILE B CD1 1 ATOM 1374 N N . GLY B 1 70 ? 94.548 22.073 14.651 1.00 52.16 ? 94 GLY B N 1 ATOM 1375 C CA . GLY B 1 70 ? 95.790 22.066 13.899 1.00 50.74 ? 94 GLY B CA 1 ATOM 1376 C C . GLY B 1 70 ? 96.821 23.008 14.495 1.00 50.80 ? 94 GLY B C 1 ATOM 1377 O O . GLY B 1 70 ? 97.976 23.023 14.069 1.00 51.99 ? 94 GLY B O 1 ATOM 1378 N N . ASN B 1 71 ? 96.399 23.778 15.495 1.00 53.30 ? 95 ASN B N 1 ATOM 1379 C CA . ASN B 1 71 ? 97.243 24.777 16.145 1.00 54.84 ? 95 ASN B CA 1 ATOM 1380 C C . ASN B 1 71 ? 98.014 25.640 15.144 1.00 51.38 ? 95 ASN B C 1 ATOM 1381 O O . ASN B 1 71 ? 99.195 25.932 15.335 1.00 48.66 ? 95 ASN B O 1 ATOM 1382 C CB . ASN B 1 71 ? 98.212 24.091 17.111 1.00 60.06 ? 95 ASN B CB 1 ATOM 1383 C CG . ASN B 1 71 ? 98.488 24.929 18.344 1.00 66.58 ? 95 ASN B CG 1 ATOM 1384 O OD1 . ASN B 1 71 ? 97.826 24.774 19.372 1.00 70.59 ? 95 ASN B OD1 1 ATOM 1385 N ND2 . ASN B 1 71 ? 99.457 25.832 18.246 1.00 66.84 ? 95 ASN B ND2 1 ATOM 1386 N N . ASN B 1 72 ? 97.329 26.048 14.080 1.00 52.47 ? 96 ASN B N 1 ATOM 1387 C CA . ASN B 1 72 ? 97.939 26.851 13.028 1.00 50.42 ? 96 ASN B CA 1 ATOM 1388 C C . ASN B 1 72 ? 97.768 28.352 13.248 1.00 45.55 ? 96 ASN B C 1 ATOM 1389 O O . ASN B 1 72 ? 98.326 29.163 12.507 1.00 44.21 ? 96 ASN B O 1 ATOM 1390 C CB . ASN B 1 72 ? 97.359 26.455 11.673 1.00 51.96 ? 96 ASN B CB 1 ATOM 1391 C CG . ASN B 1 72 ? 97.711 25.032 11.290 1.00 55.50 ? 96 ASN B CG 1 ATOM 1392 O OD1 . ASN B 1 72 ? 98.875 24.715 11.047 1.00 56.01 ? 96 ASN B OD1 1 ATOM 1393 N ND2 . ASN B 1 72 ? 96.707 24.165 11.240 1.00 54.26 ? 96 ASN B ND2 1 ATOM 1394 N N . PHE B 1 73 ? 96.985 28.715 14.259 1.00 41.74 ? 97 PHE B N 1 ATOM 1395 C CA . PHE B 1 73 ? 96.825 30.110 14.648 1.00 37.47 ? 97 PHE B CA 1 ATOM 1396 C C . PHE B 1 73 ? 97.692 30.408 15.860 1.00 40.51 ? 97 PHE B C 1 ATOM 1397 O O . PHE B 1 73 ? 97.508 29.805 16.915 1.00 46.12 ? 97 PHE B O 1 ATOM 1398 C CB . PHE B 1 73 ? 95.361 30.420 14.959 1.00 33.46 ? 97 PHE B CB 1 ATOM 1399 C CG . PHE B 1 73 ? 95.120 31.839 15.383 1.00 31.33 ? 97 PHE B CG 1 ATOM 1400 C CD1 . PHE B 1 73 ? 95.069 32.858 14.448 1.00 29.60 ? 97 PHE B CD1 1 ATOM 1401 C CD2 . PHE B 1 73 ? 94.951 32.155 16.720 1.00 31.93 ? 97 PHE B CD2 1 ATOM 1402 C CE1 . PHE B 1 73 ? 94.849 34.166 14.837 1.00 30.41 ? 97 PHE B CE1 1 ATOM 1403 C CE2 . PHE B 1 73 ? 94.730 33.461 17.116 1.00 33.22 ? 97 PHE B CE2 1 ATOM 1404 C CZ . PHE B 1 73 ? 94.679 34.467 16.172 1.00 30.61 ? 97 PHE B CZ 1 ATOM 1405 N N . ASP B 1 74 ? 98.638 31.329 15.706 1.00 46.44 ? 98 ASP B N 1 ATOM 1406 C CA . ASP B 1 74 ? 99.494 31.731 16.817 1.00 61.83 ? 98 ASP B CA 1 ATOM 1407 C C . ASP B 1 74 ? 98.890 32.943 17.519 1.00 64.14 ? 98 ASP B C 1 ATOM 1408 O O . ASP B 1 74 ? 98.944 34.060 17.006 1.00 62.35 ? 98 ASP B O 1 ATOM 1409 C CB . ASP B 1 74 ? 100.912 32.033 16.333 1.00 76.04 ? 98 ASP B CB 1 ATOM 1410 C CG . ASP B 1 74 ? 101.864 32.341 17.475 1.00 94.49 ? 98 ASP B CG 1 ATOM 1411 O OD1 . ASP B 1 74 ? 101.504 32.088 18.646 1.00 96.03 ? 98 ASP B OD1 1 ATOM 1412 O OD2 . ASP B 1 74 ? 102.989 32.801 17.201 1.00 105.72 ? 98 ASP B OD2 1 ATOM 1413 N N . SER B 1 75 ? 98.318 32.707 18.694 1.00 72.27 ? 99 SER B N 1 ATOM 1414 C CA . SER B 1 75 ? 97.601 33.738 19.440 1.00 78.13 ? 99 SER B CA 1 ATOM 1415 C C . SER B 1 75 ? 98.470 34.921 19.854 1.00 76.32 ? 99 SER B C 1 ATOM 1416 O O . SER B 1 75 ? 97.995 36.057 19.893 1.00 71.00 ? 99 SER B O 1 ATOM 1417 C CB . SER B 1 75 ? 96.966 33.128 20.693 1.00 86.50 ? 99 SER B CB 1 ATOM 1418 O OG . SER B 1 75 ? 97.919 32.395 21.445 1.00 93.21 ? 99 SER B OG 1 ATOM 1419 N N . GLU B 1 76 ? 99.735 34.655 20.162 1.00 80.19 ? 100 GLU B N 1 ATOM 1420 C CA . GLU B 1 76 ? 100.618 35.688 20.691 1.00 85.32 ? 100 GLU B CA 1 ATOM 1421 C C . GLU B 1 76 ? 100.792 36.819 19.675 1.00 84.90 ? 100 GLU B C 1 ATOM 1422 O O . GLU B 1 76 ? 100.744 37.996 20.036 1.00 87.06 ? 100 GLU B O 1 ATOM 1423 C CB . GLU B 1 76 ? 101.973 35.087 21.075 1.00 91.53 ? 100 GLU B CB 1 ATOM 1424 C CG . GLU B 1 76 ? 102.770 35.934 22.073 1.00 97.87 ? 100 GLU B CG 1 ATOM 1425 C CD . GLU B 1 76 ? 104.041 36.552 21.507 1.00 105.23 ? 100 GLU B CD 1 ATOM 1426 O OE1 . GLU B 1 76 ? 104.729 37.265 22.271 1.00 111.28 ? 100 GLU B OE1 1 ATOM 1427 O OE2 . GLU B 1 76 ? 104.365 36.335 20.320 1.00 103.46 ? 100 GLU B OE2 1 ATOM 1428 N N . ARG B 1 77 ? 100.983 36.454 18.410 1.00 82.35 ? 101 ARG B N 1 ATOM 1429 C CA . ARG B 1 77 ? 101.131 37.431 17.329 1.00 80.01 ? 101 ARG B CA 1 ATOM 1430 C C . ARG B 1 77 ? 99.860 37.500 16.469 1.00 69.65 ? 101 ARG B C 1 ATOM 1431 O O . ARG B 1 77 ? 99.805 38.246 15.488 1.00 61.48 ? 101 ARG B O 1 ATOM 1432 C CB . ARG B 1 77 ? 102.356 37.112 16.464 1.00 88.65 ? 101 ARG B CB 1 ATOM 1433 C CG . ARG B 1 77 ? 102.677 35.637 16.307 1.00 96.23 ? 101 ARG B CG 1 ATOM 1434 C CD . ARG B 1 77 ? 104.030 35.433 15.638 1.00 102.31 ? 101 ARG B CD 1 ATOM 1435 N NE . ARG B 1 77 ? 105.134 35.856 16.499 1.00 111.24 ? 101 ARG B NE 1 ATOM 1436 C CZ . ARG B 1 77 ? 105.633 35.130 17.498 1.00 120.29 ? 101 ARG B CZ 1 ATOM 1437 N NH1 . ARG B 1 77 ? 105.129 33.935 17.781 1.00 122.50 ? 101 ARG B NH1 1 ATOM 1438 N NH2 . ARG B 1 77 ? 106.638 35.603 18.223 1.00 125.23 ? 101 ARG B NH2 1 ATOM 1439 N N . SER B 1 78 ? 98.853 36.712 16.843 1.00 64.58 ? 102 SER B N 1 ATOM 1440 C CA . SER B 1 78 ? 97.553 36.713 16.170 1.00 52.85 ? 102 SER B CA 1 ATOM 1441 C C . SER B 1 78 ? 97.648 36.527 14.658 1.00 46.50 ? 102 SER B C 1 ATOM 1442 O O . SER B 1 78 ? 97.060 37.290 13.887 1.00 42.61 ? 102 SER B O 1 ATOM 1443 C CB . SER B 1 78 ? 96.815 38.014 16.486 1.00 51.01 ? 102 SER B CB 1 ATOM 1444 O OG . SER B 1 78 ? 96.472 38.066 17.860 1.00 54.23 ? 102 SER B OG 1 ATOM 1445 N N . THR B 1 79 ? 98.384 35.499 14.247 1.00 43.89 ? 103 THR B N 1 ATOM 1446 C CA . THR B 1 79 ? 98.614 35.219 12.836 1.00 37.57 ? 103 THR B CA 1 ATOM 1447 C C . THR B 1 79 ? 98.276 33.774 12.500 1.00 32.37 ? 103 THR B C 1 ATOM 1448 O O . THR B 1 79 ? 98.588 32.859 13.260 1.00 35.63 ? 103 THR B O 1 ATOM 1449 C CB . THR B 1 79 ? 100.079 35.484 12.446 1.00 41.19 ? 103 THR B CB 1 ATOM 1450 O OG1 . THR B 1 79 ? 100.471 36.783 12.905 1.00 48.95 ? 103 THR B OG1 1 ATOM 1451 C CG2 . THR B 1 79 ? 100.262 35.398 10.937 1.00 38.69 ? 103 THR B CG2 1 ATOM 1452 N N . PHE B 1 80 ? 97.616 33.580 11.364 1.00 31.88 ? 104 PHE B N 1 ATOM 1453 C CA . PHE B 1 80 ? 97.333 32.244 10.860 1.00 36.35 ? 104 PHE B CA 1 ATOM 1454 C C . PHE B 1 80 ? 98.353 31.836 9.803 1.00 33.65 ? 104 PHE B C 1 ATOM 1455 O O . PHE B 1 80 ? 98.464 32.480 8.762 1.00 31.70 ? 104 PHE B O 1 ATOM 1456 C CB . PHE B 1 80 ? 95.923 32.178 10.276 1.00 39.96 ? 104 PHE B CB 1 ATOM 1457 C CG . PHE B 1 80 ? 95.576 30.840 9.695 1.00 43.04 ? 104 PHE B CG 1 ATOM 1458 C CD1 . PHE B 1 80 ? 95.206 29.789 10.517 1.00 46.05 ? 104 PHE B CD1 1 ATOM 1459 C CD2 . PHE B 1 80 ? 95.618 30.631 8.328 1.00 44.47 ? 104 PHE B CD2 1 ATOM 1460 C CE1 . PHE B 1 80 ? 94.886 28.555 9.987 1.00 48.15 ? 104 PHE B CE1 1 ATOM 1461 C CE2 . PHE B 1 80 ? 95.298 29.399 7.792 1.00 47.37 ? 104 PHE B CE2 1 ATOM 1462 C CZ . PHE B 1 80 ? 94.932 28.360 8.623 1.00 48.55 ? 104 PHE B CZ 1 ATOM 1463 N N . ILE B 1 81 ? 99.096 30.767 10.077 1.00 34.00 ? 105 ILE B N 1 ATOM 1464 C CA . ILE B 1 81 ? 100.036 30.209 9.109 1.00 35.97 ? 105 ILE B CA 1 ATOM 1465 C C . ILE B 1 81 ? 99.430 28.955 8.489 1.00 38.24 ? 105 ILE B C 1 ATOM 1466 O O . ILE B 1 81 ? 99.237 27.948 9.170 1.00 42.42 ? 105 ILE B O 1 ATOM 1467 C CB . ILE B 1 81 ? 101.398 29.864 9.749 1.00 38.62 ? 105 ILE B CB 1 ATOM 1468 C CG1 . ILE B 1 81 ? 102.098 31.128 10.250 1.00 35.21 ? 105 ILE B CG1 1 ATOM 1469 C CG2 . ILE B 1 81 ? 102.299 29.152 8.748 1.00 45.74 ? 105 ILE B CG2 1 ATOM 1470 C CD1 . ILE B 1 81 ? 101.730 31.522 11.661 1.00 40.21 ? 105 ILE B CD1 1 ATOM 1471 N N . ALA B 1 82 ? 99.135 29.022 7.195 1.00 35.89 ? 106 ALA B N 1 ATOM 1472 C CA . ALA B 1 82 ? 98.506 27.912 6.489 1.00 35.81 ? 106 ALA B CA 1 ATOM 1473 C C . ALA B 1 82 ? 99.380 26.652 6.519 1.00 42.36 ? 106 ALA B C 1 ATOM 1474 O O . ALA B 1 82 ? 100.540 26.696 6.113 1.00 43.91 ? 106 ALA B O 1 ATOM 1475 C CB . ALA B 1 82 ? 98.211 28.310 5.056 1.00 35.36 ? 106 ALA B CB 1 ATOM 1476 N N . PRO B 1 83 ? 98.829 25.524 7.003 1.00 42.02 ? 107 PRO B N 1 ATOM 1477 C CA . PRO B 1 83 ? 99.608 24.281 7.043 1.00 45.42 ? 107 PRO B CA 1 ATOM 1478 C C . PRO B 1 83 ? 99.742 23.586 5.688 1.00 50.01 ? 107 PRO B C 1 ATOM 1479 O O . PRO B 1 83 ? 100.584 22.699 5.538 1.00 55.73 ? 107 PRO B O 1 ATOM 1480 C CB . PRO B 1 83 ? 98.808 23.404 8.008 1.00 46.66 ? 107 PRO B CB 1 ATOM 1481 C CG . PRO B 1 83 ? 97.418 23.871 7.860 1.00 43.51 ? 107 PRO B CG 1 ATOM 1482 C CD . PRO B 1 83 ? 97.501 25.350 7.617 1.00 41.72 ? 107 PRO B CD 1 ATOM 1483 N N . ARG B 1 84 ? 98.920 23.976 4.720 1.00 47.72 ? 108 ARG B N 1 ATOM 1484 C CA . ARG B 1 84 ? 98.932 23.337 3.410 1.00 48.43 ? 108 ARG B CA 1 ATOM 1485 C C . ARG B 1 84 ? 98.226 24.200 2.375 1.00 46.89 ? 108 ARG B C 1 ATOM 1486 O O . ARG B 1 84 ? 97.535 25.157 2.721 1.00 45.28 ? 108 ARG B O 1 ATOM 1487 C CB . ARG B 1 84 ? 98.261 21.966 3.480 1.00 48.02 ? 108 ARG B CB 1 ATOM 1488 C CG . ARG B 1 84 ? 96.802 22.026 3.898 1.00 45.93 ? 108 ARG B CG 1 ATOM 1489 C CD . ARG B 1 84 ? 96.214 20.641 4.098 1.00 48.17 ? 108 ARG B CD 1 ATOM 1490 N NE . ARG B 1 84 ? 96.169 19.883 2.853 1.00 52.84 ? 108 ARG B NE 1 ATOM 1491 C CZ . ARG B 1 84 ? 95.703 18.643 2.749 1.00 62.43 ? 108 ARG B CZ 1 ATOM 1492 N NH1 . ARG B 1 84 ? 95.238 18.010 3.819 1.00 65.16 ? 108 ARG B NH1 1 ATOM 1493 N NH2 . ARG B 1 84 ? 95.702 18.034 1.573 1.00 69.04 ? 108 ARG B NH2 1 ATOM 1494 N N . LYS B 1 85 ? 98.386 23.846 1.105 1.00 48.55 ? 109 LYS B N 1 ATOM 1495 C CA . LYS B 1 85 ? 97.743 24.588 0.030 1.00 49.75 ? 109 LYS B CA 1 ATOM 1496 C C . LYS B 1 85 ? 96.266 24.229 -0.065 1.00 50.96 ? 109 LYS B C 1 ATOM 1497 O O . LYS B 1 85 ? 95.905 23.054 -0.132 1.00 57.08 ? 109 LYS B O 1 ATOM 1498 C CB . LYS B 1 85 ? 98.432 24.327 -1.311 1.00 53.91 ? 109 LYS B CB 1 ATOM 1499 C CG . LYS B 1 85 ? 97.756 25.039 -2.475 1.00 55.63 ? 109 LYS B CG 1 ATOM 1500 C CD . LYS B 1 85 ? 98.586 24.996 -3.748 1.00 61.56 ? 109 LYS B CD 1 ATOM 1501 C CE . LYS B 1 85 ? 98.188 23.849 -4.653 1.00 69.30 ? 109 LYS B CE 1 ATOM 1502 N NZ . LYS B 1 85 ? 98.818 23.986 -5.996 1.00 74.43 ? 109 LYS B NZ 1 ATOM 1503 N N . GLY B 1 86 ? 95.417 25.250 -0.065 1.00 47.30 ? 110 GLY B N 1 ATOM 1504 C CA . GLY B 1 86 ? 93.987 25.049 -0.180 1.00 46.45 ? 110 GLY B CA 1 ATOM 1505 C C . GLY B 1 86 ? 93.230 26.361 -0.224 1.00 44.63 ? 110 GLY B C 1 ATOM 1506 O O . GLY B 1 86 ? 93.832 27.435 -0.271 1.00 44.37 ? 110 GLY B O 1 ATOM 1507 N N . ILE B 1 87 ? 91.903 26.266 -0.216 1.00 40.62 ? 111 ILE B N 1 ATOM 1508 C CA . ILE B 1 87 ? 91.040 27.440 -0.157 1.00 37.01 ? 111 ILE B CA 1 ATOM 1509 C C . ILE B 1 87 ? 90.589 27.667 1.279 1.00 37.73 ? 111 ILE B C 1 ATOM 1510 O O . ILE B 1 87 ? 89.964 26.797 1.887 1.00 41.73 ? 111 ILE B O 1 ATOM 1511 C CB . ILE B 1 87 ? 89.807 27.286 -1.071 1.00 33.34 ? 111 ILE B CB 1 ATOM 1512 C CG1 . ILE B 1 87 ? 90.233 27.120 -2.532 1.00 37.37 ? 111 ILE B CG1 1 ATOM 1513 C CG2 . ILE B 1 87 ? 88.868 28.477 -0.924 1.00 33.29 ? 111 ILE B CG2 1 ATOM 1514 C CD1 . ILE B 1 87 ? 91.021 28.291 -3.103 1.00 35.92 ? 111 ILE B CD1 1 ATOM 1515 N N . TYR B 1 88 ? 90.914 28.841 1.810 1.00 33.98 ? 112 TYR B N 1 ATOM 1516 C CA . TYR B 1 88 ? 90.577 29.191 3.186 1.00 31.30 ? 112 TYR B CA 1 ATOM 1517 C C . TYR B 1 88 ? 89.514 30.281 3.237 1.00 32.14 ? 112 TYR B C 1 ATOM 1518 O O . TYR B 1 88 ? 89.488 31.179 2.397 1.00 34.86 ? 112 TYR B O 1 ATOM 1519 C CB . TYR B 1 88 ? 91.827 29.651 3.938 1.00 29.93 ? 112 TYR B CB 1 ATOM 1520 C CG . TYR B 1 88 ? 92.857 28.563 4.136 1.00 34.81 ? 112 TYR B CG 1 ATOM 1521 C CD1 . TYR B 1 88 ? 93.741 28.224 3.120 1.00 37.02 ? 112 TYR B CD1 1 ATOM 1522 C CD2 . TYR B 1 88 ? 92.950 27.878 5.339 1.00 37.53 ? 112 TYR B CD2 1 ATOM 1523 C CE1 . TYR B 1 88 ? 94.683 27.232 3.296 1.00 41.09 ? 112 TYR B CE1 1 ATOM 1524 C CE2 . TYR B 1 88 ? 93.891 26.884 5.525 1.00 40.22 ? 112 TYR B CE2 1 ATOM 1525 C CZ . TYR B 1 88 ? 94.755 26.566 4.501 1.00 43.47 ? 112 TYR B CZ 1 ATOM 1526 O OH . TYR B 1 88 ? 95.692 25.576 4.678 1.00 49.35 ? 112 TYR B OH 1 ATOM 1527 N N . SER B 1 89 ? 88.642 30.189 4.233 1.00 22.61 ? 113 SER B N 1 ATOM 1528 C CA . SER B 1 89 ? 87.650 31.219 4.496 1.00 32.73 ? 113 SER B CA 1 ATOM 1529 C C . SER B 1 89 ? 88.099 32.059 5.673 1.00 31.62 ? 113 SER B C 1 ATOM 1530 O O . SER B 1 89 ? 88.678 31.539 6.623 1.00 32.74 ? 113 SER B O 1 ATOM 1531 C CB . SER B 1 89 ? 86.281 30.603 4.787 1.00 32.43 ? 113 SER B CB 1 ATOM 1532 O OG . SER B 1 89 ? 85.382 31.584 5.275 1.00 32.85 ? 113 SER B OG 1 ATOM 1533 N N . PHE B 1 90 ? 87.842 33.360 5.603 1.00 34.07 ? 114 PHE B N 1 ATOM 1534 C CA . PHE B 1 90 ? 88.160 34.261 6.702 1.00 36.78 ? 114 PHE B CA 1 ATOM 1535 C C . PHE B 1 90 ? 87.012 35.222 6.967 1.00 32.56 ? 114 PHE B C 1 ATOM 1536 O O . PHE B 1 90 ? 86.354 35.701 6.042 1.00 29.91 ? 114 PHE B O 1 ATOM 1537 C CB . PHE B 1 90 ? 89.437 35.050 6.411 1.00 38.32 ? 114 PHE B CB 1 ATOM 1538 C CG . PHE B 1 90 ? 90.685 34.215 6.412 1.00 19.59 ? 114 PHE B CG 1 ATOM 1539 C CD1 . PHE B 1 90 ? 91.303 33.875 7.601 1.00 20.50 ? 114 PHE B CD1 1 ATOM 1540 C CD2 . PHE B 1 90 ? 91.251 33.789 5.224 1.00 28.49 ? 114 PHE B CD2 1 ATOM 1541 C CE1 . PHE B 1 90 ? 92.456 33.115 7.607 1.00 22.16 ? 114 PHE B CE1 1 ATOM 1542 C CE2 . PHE B 1 90 ? 92.406 33.028 5.224 1.00 23.86 ? 114 PHE B CE2 1 ATOM 1543 C CZ . PHE B 1 90 ? 93.008 32.692 6.417 1.00 24.37 ? 114 PHE B CZ 1 ATOM 1544 N N . ASN B 1 91 ? 86.781 35.488 8.246 1.00 31.12 ? 115 ASN B N 1 ATOM 1545 C CA . ASN B 1 91 ? 85.794 36.464 8.673 1.00 32.76 ? 115 ASN B CA 1 ATOM 1546 C C . ASN B 1 91 ? 86.312 37.216 9.879 1.00 26.83 ? 115 ASN B C 1 ATOM 1547 O O . ASN B 1 91 ? 86.958 36.639 10.753 1.00 27.64 ? 115 ASN B O 1 ATOM 1548 C CB . ASN B 1 91 ? 84.461 35.794 9.006 1.00 39.39 ? 115 ASN B CB 1 ATOM 1549 C CG . ASN B 1 91 ? 83.746 35.284 7.777 1.00 45.46 ? 115 ASN B CG 1 ATOM 1550 O OD1 . ASN B 1 91 ? 83.046 36.037 7.099 1.00 50.66 ? 115 ASN B OD1 1 ATOM 1551 N ND2 . ASN B 1 91 ? 83.914 33.998 7.482 1.00 45.69 ? 115 ASN B ND2 1 ATOM 1552 N N . PHE B 1 92 ? 86.032 38.510 9.920 1.00 25.91 ? 116 PHE B N 1 ATOM 1553 C CA . PHE B 1 92 ? 86.425 39.320 11.052 1.00 25.74 ? 116 PHE B CA 1 ATOM 1554 C C . PHE B 1 92 ? 85.430 40.445 11.284 1.00 27.03 ? 116 PHE B C 1 ATOM 1555 O O . PHE B 1 92 ? 84.880 41.016 10.341 1.00 26.42 ? 116 PHE B O 1 ATOM 1556 C CB . PHE B 1 92 ? 87.837 39.882 10.847 1.00 25.87 ? 116 PHE B CB 1 ATOM 1557 C CG . PHE B 1 92 ? 87.941 40.901 9.745 1.00 29.79 ? 116 PHE B CG 1 ATOM 1558 C CD1 . PHE B 1 92 ? 88.257 40.514 8.453 1.00 31.62 ? 116 PHE B CD1 1 ATOM 1559 C CD2 . PHE B 1 92 ? 87.740 42.249 10.004 1.00 31.99 ? 116 PHE B CD2 1 ATOM 1560 C CE1 . PHE B 1 92 ? 88.363 41.450 7.440 1.00 33.24 ? 116 PHE B CE1 1 ATOM 1561 C CE2 . PHE B 1 92 ? 87.844 43.188 8.995 1.00 32.58 ? 116 PHE B CE2 1 ATOM 1562 C CZ . PHE B 1 92 ? 88.157 42.788 7.712 1.00 34.81 ? 116 PHE B CZ 1 ATOM 1563 N N . HIS B 1 93 ? 85.189 40.731 12.557 1.00 27.58 ? 117 HIS B N 1 ATOM 1564 C CA . HIS B 1 93 ? 84.395 41.875 12.965 1.00 22.69 ? 117 HIS B CA 1 ATOM 1565 C C . HIS B 1 93 ? 85.194 42.622 14.024 1.00 23.29 ? 117 HIS B C 1 ATOM 1566 O O . HIS B 1 93 ? 85.430 42.098 15.110 1.00 33.71 ? 117 HIS B O 1 ATOM 1567 C CB . HIS B 1 93 ? 83.032 41.433 13.501 1.00 51.86 ? 117 HIS B CB 1 ATOM 1568 C CG . HIS B 1 93 ? 82.243 40.603 12.533 1.00 52.92 ? 117 HIS B CG 1 ATOM 1569 N ND1 . HIS B 1 93 ? 81.147 41.088 11.853 1.00 47.92 ? 117 HIS B ND1 1 ATOM 1570 C CD2 . HIS B 1 93 ? 82.392 39.316 12.135 1.00 48.97 ? 117 HIS B CD2 1 ATOM 1571 C CE1 . HIS B 1 93 ? 80.657 40.140 11.074 1.00 46.73 ? 117 HIS B CE1 1 ATOM 1572 N NE2 . HIS B 1 93 ? 81.393 39.053 11.228 1.00 47.13 ? 117 HIS B NE2 1 ATOM 1573 N N . VAL B 1 94 ? 85.636 43.830 13.694 1.00 32.94 ? 118 VAL B N 1 ATOM 1574 C CA . VAL B 1 94 ? 86.393 44.651 14.631 1.00 31.87 ? 118 VAL B CA 1 ATOM 1575 C C . VAL B 1 94 ? 85.492 45.722 15.219 1.00 36.20 ? 118 VAL B C 1 ATOM 1576 O O . VAL B 1 94 ? 85.108 46.671 14.535 1.00 38.77 ? 118 VAL B O 1 ATOM 1577 C CB . VAL B 1 94 ? 87.611 45.306 13.952 1.00 33.02 ? 118 VAL B CB 1 ATOM 1578 C CG1 . VAL B 1 94 ? 88.317 46.258 14.904 1.00 29.88 ? 118 VAL B CG1 1 ATOM 1579 C CG2 . VAL B 1 94 ? 88.577 44.238 13.463 1.00 31.83 ? 118 VAL B CG2 1 ATOM 1580 N N . VAL B 1 95 ? 85.177 45.566 16.501 1.00 38.55 ? 119 VAL B N 1 ATOM 1581 C CA . VAL B 1 95 ? 84.252 46.455 17.193 1.00 40.27 ? 119 VAL B CA 1 ATOM 1582 C C . VAL B 1 95 ? 85.023 47.539 17.932 1.00 44.45 ? 119 VAL B C 1 ATOM 1583 O O . VAL B 1 95 ? 85.869 47.241 18.767 1.00 48.64 ? 119 VAL B O 1 ATOM 1584 C CB . VAL B 1 95 ? 83.371 45.688 18.195 1.00 33.75 ? 119 VAL B CB 1 ATOM 1585 C CG1 . VAL B 1 95 ? 82.315 46.605 18.784 1.00 36.78 ? 119 VAL B CG1 1 ATOM 1586 C CG2 . VAL B 1 95 ? 82.720 44.483 17.530 1.00 33.36 ? 119 VAL B CG2 1 ATOM 1587 N N . LYS B 1 96 ? 84.715 48.794 17.622 1.00 49.28 ? 120 LYS B N 1 ATOM 1588 C CA . LYS B 1 96 ? 85.400 49.938 18.214 1.00 51.74 ? 120 LYS B CA 1 ATOM 1589 C C . LYS B 1 96 ? 84.453 50.818 19.022 1.00 53.83 ? 120 LYS B C 1 ATOM 1590 O O . LYS B 1 96 ? 83.233 50.681 18.938 1.00 50.15 ? 120 LYS B O 1 ATOM 1591 C CB . LYS B 1 96 ? 86.068 50.764 17.109 1.00 54.40 ? 120 LYS B CB 1 ATOM 1592 C CG . LYS B 1 96 ? 85.088 51.491 16.185 1.00 60.37 ? 120 LYS B CG 1 ATOM 1593 C CD . LYS B 1 96 ? 85.758 52.601 15.391 1.00 66.59 ? 120 LYS B CD 1 ATOM 1594 C CE . LYS B 1 96 ? 86.054 53.827 16.232 1.00 73.01 ? 120 LYS B CE 1 ATOM 1595 N NZ . LYS B 1 96 ? 86.752 54.861 15.424 1.00 77.82 ? 120 LYS B NZ 1 ATOM 1596 N N . VAL B 1 97 ? 85.036 51.716 19.809 1.00 58.83 ? 121 VAL B N 1 ATOM 1597 C CA . VAL B 1 97 ? 84.276 52.690 20.581 1.00 62.41 ? 121 VAL B CA 1 ATOM 1598 C C . VAL B 1 97 ? 84.650 54.081 20.081 1.00 67.47 ? 121 VAL B C 1 ATOM 1599 O O . VAL B 1 97 ? 85.574 54.230 19.282 1.00 68.44 ? 121 VAL B O 1 ATOM 1600 C CB . VAL B 1 97 ? 84.544 52.569 22.099 1.00 61.23 ? 121 VAL B CB 1 ATOM 1601 C CG1 . VAL B 1 97 ? 83.730 51.432 22.700 1.00 58.03 ? 121 VAL B CG1 1 ATOM 1602 C CG2 . VAL B 1 97 ? 86.028 52.374 22.374 1.00 64.59 ? 121 VAL B CG2 1 ATOM 1603 N N . TYR B 1 98 ? 83.926 55.095 20.541 1.00 74.34 ? 122 TYR B N 1 ATOM 1604 C CA . TYR B 1 98 ? 84.162 56.472 20.111 1.00 84.82 ? 122 TYR B CA 1 ATOM 1605 C C . TYR B 1 98 ? 85.562 56.952 20.500 1.00 91.20 ? 122 TYR B C 1 ATOM 1606 O O . TYR B 1 98 ? 85.870 57.066 21.686 1.00 91.59 ? 122 TYR B O 1 ATOM 1607 C CB . TYR B 1 98 ? 83.105 57.403 20.707 1.00 95.65 ? 122 TYR B CB 1 ATOM 1608 C CG . TYR B 1 98 ? 83.245 58.852 20.288 1.00 107.12 ? 122 TYR B CG 1 ATOM 1609 C CD1 . TYR B 1 98 ? 84.220 59.673 20.840 1.00 111.07 ? 122 TYR B CD1 1 ATOM 1610 C CD2 . TYR B 1 98 ? 82.393 59.399 19.336 1.00 112.43 ? 122 TYR B CD2 1 ATOM 1611 C CE1 . TYR B 1 98 ? 84.344 60.993 20.453 1.00 112.73 ? 122 TYR B CE1 1 ATOM 1612 C CE2 . TYR B 1 98 ? 82.511 60.718 18.943 1.00 114.66 ? 122 TYR B CE2 1 ATOM 1613 C CZ . TYR B 1 98 ? 83.488 61.511 19.504 1.00 112.08 ? 122 TYR B CZ 1 ATOM 1614 O OH . TYR B 1 98 ? 83.609 62.826 19.117 1.00 109.43 ? 122 TYR B OH 1 ATOM 1615 N N . ASN B 1 99 ? 86.405 57.219 19.503 1.00 99.67 ? 123 ASN B N 1 ATOM 1616 C CA . ASN B 1 99 ? 87.775 57.674 19.751 1.00 112.08 ? 123 ASN B CA 1 ATOM 1617 C C . ASN B 1 99 ? 88.196 58.866 18.882 1.00 125.12 ? 123 ASN B C 1 ATOM 1618 O O . ASN B 1 99 ? 89.390 59.137 18.747 1.00 124.34 ? 123 ASN B O 1 ATOM 1619 C CB . ASN B 1 99 ? 88.758 56.526 19.515 1.00 113.67 ? 123 ASN B CB 1 ATOM 1620 C CG . ASN B 1 99 ? 88.643 55.944 18.123 1.00 115.79 ? 123 ASN B CG 1 ATOM 1621 O OD1 . ASN B 1 99 ? 87.727 56.284 17.372 1.00 125.63 ? 123 ASN B OD1 1 ATOM 1622 N ND2 . ASN B 1 99 ? 89.592 55.093 17.754 1.00 106.03 ? 123 ASN B ND2 1 ATOM 1623 N N . ARG B 1 100 ? 87.227 59.542 18.263 1.00 134.97 ? 124 ARG B N 1 ATOM 1624 C CA . ARG B 1 100 ? 87.489 60.731 17.434 1.00 144.93 ? 124 ARG B CA 1 ATOM 1625 C C . ARG B 1 100 ? 88.241 60.414 16.134 1.00 137.60 ? 124 ARG B C 1 ATOM 1626 O O . ARG B 1 100 ? 88.636 61.323 15.401 1.00 138.72 ? 124 ARG B O 1 ATOM 1627 C CB . ARG B 1 100 ? 88.225 61.808 18.249 1.00 156.36 ? 124 ARG B CB 1 ATOM 1628 C CG . ARG B 1 100 ? 87.405 62.317 19.427 1.00 167.59 ? 124 ARG B CG 1 ATOM 1629 C CD . ARG B 1 100 ? 87.933 61.863 20.775 1.00 172.75 ? 124 ARG B CD 1 ATOM 1630 N NE . ARG B 1 100 ? 89.095 62.618 21.226 1.00 184.21 ? 124 ARG B NE 1 ATOM 1631 C CZ . ARG B 1 100 ? 89.864 62.249 22.246 1.00 194.32 ? 124 ARG B CZ 1 ATOM 1632 N NH1 . ARG B 1 100 ? 89.597 61.128 22.905 1.00 193.67 ? 124 ARG B NH1 1 ATOM 1633 N NH2 . ARG B 1 100 ? 90.905 62.990 22.604 1.00 203.70 ? 124 ARG B NH2 1 ATOM 1634 N N . GLN B 1 101 ? 88.434 59.127 15.860 1.00 125.56 ? 125 GLN B N 1 ATOM 1635 C CA . GLN B 1 101 ? 89.090 58.665 14.639 1.00 114.62 ? 125 GLN B CA 1 ATOM 1636 C C . GLN B 1 101 ? 88.195 57.652 13.940 1.00 106.25 ? 125 GLN B C 1 ATOM 1637 O O . GLN B 1 101 ? 87.438 56.924 14.584 1.00 102.90 ? 125 GLN B O 1 ATOM 1638 C CB . GLN B 1 101 ? 90.470 58.056 14.916 1.00 111.20 ? 125 GLN B CB 1 ATOM 1639 C CG . GLN B 1 101 ? 91.553 59.056 15.286 1.00 114.09 ? 125 GLN B CG 1 ATOM 1640 C CD . GLN B 1 101 ? 92.731 58.986 14.328 1.00 116.57 ? 125 GLN B CD 1 ATOM 1641 O OE1 . GLN B 1 101 ? 93.861 58.695 14.725 1.00 118.61 ? 125 GLN B OE1 1 ATOM 1642 N NE2 . GLN B 1 101 ? 92.466 59.246 13.052 1.00 117.96 ? 125 GLN B NE2 1 ATOM 1643 N N . THR B 1 102 ? 88.286 57.625 12.615 1.00 101.06 ? 126 THR B N 1 ATOM 1644 C CA . THR B 1 102 ? 87.648 56.594 11.810 1.00 94.11 ? 126 THR B CA 1 ATOM 1645 C C . THR B 1 102 ? 88.714 55.598 11.388 1.00 84.69 ? 126 THR B C 1 ATOM 1646 O O . THR B 1 102 ? 89.843 55.983 11.074 1.00 86.65 ? 126 THR B O 1 ATOM 1647 C CB . THR B 1 102 ? 86.942 57.186 10.572 1.00 98.04 ? 126 THR B CB 1 ATOM 1648 O OG1 . THR B 1 102 ? 86.277 56.140 9.853 1.00 98.11 ? 126 THR B OG1 1 ATOM 1649 C CG2 . THR B 1 102 ? 87.934 57.890 9.646 1.00 98.14 ? 126 THR B CG2 1 ATOM 1650 N N . ILE B 1 103 ? 88.356 54.319 11.386 1.00 73.92 ? 127 ILE B N 1 ATOM 1651 C CA . ILE B 1 103 ? 89.329 53.259 11.161 1.00 63.71 ? 127 ILE B CA 1 ATOM 1652 C C . ILE B 1 103 ? 89.085 52.491 9.874 1.00 59.45 ? 127 ILE B C 1 ATOM 1653 O O . ILE B 1 103 ? 88.007 52.553 9.279 1.00 59.68 ? 127 ILE B O 1 ATOM 1654 C CB . ILE B 1 103 ? 89.341 52.253 12.331 1.00 59.21 ? 127 ILE B CB 1 ATOM 1655 C CG1 . ILE B 1 103 ? 87.994 51.529 12.441 1.00 55.51 ? 127 ILE B CG1 1 ATOM 1656 C CG2 . ILE B 1 103 ? 89.671 52.973 13.630 1.00 63.68 ? 127 ILE B CG2 1 ATOM 1657 C CD1 . ILE B 1 103 ? 87.996 50.380 13.429 1.00 51.77 ? 127 ILE B CD1 1 ATOM 1658 N N . GLN B 1 104 ? 90.118 51.765 9.464 1.00 52.37 ? 128 GLN B N 1 ATOM 1659 C CA . GLN B 1 104 ? 90.047 50.847 8.342 1.00 44.21 ? 128 GLN B CA 1 ATOM 1660 C C . GLN B 1 104 ? 90.832 49.597 8.691 1.00 40.53 ? 128 GLN B C 1 ATOM 1661 O O . GLN B 1 104 ? 92.036 49.663 8.935 1.00 44.44 ? 128 GLN B O 1 ATOM 1662 C CB . GLN B 1 104 ? 90.604 51.490 7.073 1.00 47.88 ? 128 GLN B CB 1 ATOM 1663 C CG . GLN B 1 104 ? 90.699 50.544 5.885 1.00 48.49 ? 128 GLN B CG 1 ATOM 1664 C CD . GLN B 1 104 ? 91.270 51.214 4.652 1.00 48.90 ? 128 GLN B CD 1 ATOM 1665 O OE1 . GLN B 1 104 ? 91.381 52.440 4.590 1.00 54.78 ? 128 GLN B OE1 1 ATOM 1666 N NE2 . GLN B 1 104 ? 91.634 50.411 3.660 1.00 42.37 ? 128 GLN B NE2 1 ATOM 1667 N N . VAL B 1 105 ? 90.146 48.461 8.724 1.00 36.01 ? 129 VAL B N 1 ATOM 1668 C CA . VAL B 1 105 ? 90.789 47.187 9.010 1.00 32.46 ? 129 VAL B CA 1 ATOM 1669 C C . VAL B 1 105 ? 90.940 46.408 7.716 1.00 29.07 ? 129 VAL B C 1 ATOM 1670 O O . VAL B 1 105 ? 90.008 46.344 6.914 1.00 28.35 ? 129 VAL B O 1 ATOM 1671 C CB . VAL B 1 105 ? 89.984 46.360 10.026 1.00 29.00 ? 129 VAL B CB 1 ATOM 1672 C CG1 . VAL B 1 105 ? 90.692 45.050 10.331 1.00 29.19 ? 129 VAL B CG1 1 ATOM 1673 C CG2 . VAL B 1 105 ? 89.771 47.158 11.301 1.00 29.97 ? 129 VAL B CG2 1 ATOM 1674 N N . SER B 1 106 ? 92.116 45.824 7.514 1.00 27.09 ? 130 SER B N 1 ATOM 1675 C CA . SER B 1 106 ? 92.375 45.006 6.335 1.00 29.19 ? 130 SER B CA 1 ATOM 1676 C C . SER B 1 106 ? 92.870 43.611 6.693 1.00 25.04 ? 130 SER B C 1 ATOM 1677 O O . SER B 1 106 ? 93.698 43.435 7.586 1.00 27.16 ? 130 SER B O 1 ATOM 1678 C CB . SER B 1 106 ? 93.391 45.694 5.425 1.00 25.96 ? 130 SER B CB 1 ATOM 1679 O OG . SER B 1 106 ? 92.774 46.717 4.664 1.00 33.39 ? 130 SER B OG 1 ATOM 1680 N N . LEU B 1 107 ? 92.352 42.621 5.979 1.00 20.79 ? 131 LEU B N 1 ATOM 1681 C CA . LEU B 1 107 ? 92.862 41.267 6.079 1.00 27.58 ? 131 LEU B CA 1 ATOM 1682 C C . LEU B 1 107 ? 94.131 41.186 5.251 1.00 35.51 ? 131 LEU B C 1 ATOM 1683 O O . LEU B 1 107 ? 94.119 41.459 4.049 1.00 37.11 ? 131 LEU B O 1 ATOM 1684 C CB . LEU B 1 107 ? 91.832 40.254 5.591 1.00 27.77 ? 131 LEU B CB 1 ATOM 1685 C CG . LEU B 1 107 ? 92.322 38.811 5.464 1.00 29.94 ? 131 LEU B CG 1 ATOM 1686 C CD1 . LEU B 1 107 ? 92.737 38.262 6.816 1.00 29.45 ? 131 LEU B CD1 1 ATOM 1687 C CD2 . LEU B 1 107 ? 91.239 37.949 4.838 1.00 35.11 ? 131 LEU B CD2 1 ATOM 1688 N N . MET B 1 108 ? 95.223 40.805 5.900 1.00 32.41 ? 132 MET B N 1 ATOM 1689 C CA . MET B 1 108 ? 96.529 40.807 5.262 1.00 26.52 ? 132 MET B CA 1 ATOM 1690 C C . MET B 1 108 ? 96.934 39.405 4.843 1.00 29.60 ? 132 MET B C 1 ATOM 1691 O O . MET B 1 108 ? 96.651 38.433 5.538 1.00 30.51 ? 132 MET B O 1 ATOM 1692 C CB . MET B 1 108 ? 97.578 41.384 6.207 1.00 26.28 ? 132 MET B CB 1 ATOM 1693 C CG . MET B 1 108 ? 97.392 42.856 6.517 1.00 24.86 ? 132 MET B CG 1 ATOM 1694 S SD . MET B 1 108 ? 97.686 43.900 5.090 1.00 49.60 ? 132 MET B SD 1 ATOM 1695 C CE . MET B 1 108 ? 97.074 45.469 5.688 1.00 39.84 ? 132 MET B CE 1 ATOM 1696 N N . LEU B 1 109 ? 97.583 39.316 3.688 1.00 30.29 ? 133 LEU B N 1 ATOM 1697 C CA . LEU B 1 109 ? 98.177 38.073 3.216 1.00 27.50 ? 133 LEU B CA 1 ATOM 1698 C C . LEU B 1 109 ? 99.637 38.343 2.875 1.00 29.29 ? 133 LEU B C 1 ATOM 1699 O O . LEU B 1 109 ? 99.947 38.990 1.874 1.00 25.19 ? 133 LEU B O 1 ATOM 1700 C CB . LEU B 1 109 ? 97.421 37.518 2.010 1.00 29.82 ? 133 LEU B CB 1 ATOM 1701 C CG . LEU B 1 109 ? 97.979 36.228 1.404 1.00 31.80 ? 133 LEU B CG 1 ATOM 1702 C CD1 . LEU B 1 109 ? 98.014 35.112 2.433 1.00 34.33 ? 133 LEU B CD1 1 ATOM 1703 C CD2 . LEU B 1 109 ? 97.159 35.811 0.196 1.00 32.39 ? 133 LEU B CD2 1 ATOM 1704 N N . ASN B 1 110 ? 100.525 37.857 3.734 1.00 28.76 ? 134 ASN B N 1 ATOM 1705 C CA . ASN B 1 110 ? 101.954 38.100 3.604 1.00 27.25 ? 134 ASN B CA 1 ATOM 1706 C C . ASN B 1 110 ? 102.239 39.597 3.570 1.00 28.13 ? 134 ASN B C 1 ATOM 1707 O O . ASN B 1 110 ? 103.000 40.086 2.739 1.00 32.26 ? 134 ASN B O 1 ATOM 1708 C CB . ASN B 1 110 ? 102.505 37.417 2.351 1.00 28.67 ? 134 ASN B CB 1 ATOM 1709 C CG . ASN B 1 110 ? 102.282 35.918 2.363 1.00 27.41 ? 134 ASN B CG 1 ATOM 1710 O OD1 . ASN B 1 110 ? 102.059 35.322 3.416 1.00 26.81 ? 134 ASN B OD1 1 ATOM 1711 N ND2 . ASN B 1 110 ? 102.345 35.300 1.190 1.00 32.64 ? 134 ASN B ND2 1 ATOM 1712 N N . GLY B 1 111 ? 101.601 40.310 4.490 1.00 29.74 ? 135 GLY B N 1 ATOM 1713 C CA . GLY B 1 111 ? 101.818 41.731 4.686 1.00 34.83 ? 135 GLY B CA 1 ATOM 1714 C C . GLY B 1 111 ? 101.160 42.658 3.688 1.00 37.87 ? 135 GLY B C 1 ATOM 1715 O O . GLY B 1 111 ? 101.348 43.866 3.767 1.00 37.30 ? 135 GLY B O 1 ATOM 1716 N N . TRP B 1 112 ? 100.370 42.108 2.773 1.00 32.91 ? 136 TRP B N 1 ATOM 1717 C CA . TRP B 1 112 ? 99.662 42.916 1.782 1.00 32.93 ? 136 TRP B CA 1 ATOM 1718 C C . TRP B 1 112 ? 98.155 42.690 1.893 1.00 27.17 ? 136 TRP B C 1 ATOM 1719 O O . TRP B 1 112 ? 97.711 41.562 2.103 1.00 28.30 ? 136 TRP B O 1 ATOM 1720 C CB . TRP B 1 112 ? 100.186 42.612 0.381 1.00 38.49 ? 136 TRP B CB 1 ATOM 1721 C CG . TRP B 1 112 ? 101.593 43.113 0.202 1.00 39.84 ? 136 TRP B CG 1 ATOM 1722 C CD1 . TRP B 1 112 ? 102.743 42.431 0.468 1.00 41.54 ? 136 TRP B CD1 1 ATOM 1723 C CD2 . TRP B 1 112 ? 101.996 44.406 -0.273 1.00 43.32 ? 136 TRP B CD2 1 ATOM 1724 N NE1 . TRP B 1 112 ? 103.836 43.216 0.192 1.00 48.54 ? 136 TRP B NE1 1 ATOM 1725 C CE2 . TRP B 1 112 ? 103.405 44.433 -0.264 1.00 50.96 ? 136 TRP B CE2 1 ATOM 1726 C CE3 . TRP B 1 112 ? 101.305 45.541 -0.703 1.00 43.64 ? 136 TRP B CE3 1 ATOM 1727 C CZ2 . TRP B 1 112 ? 104.134 45.546 -0.678 1.00 34.89 ? 136 TRP B CZ2 1 ATOM 1728 C CZ3 . TRP B 1 112 ? 102.033 46.649 -1.108 1.00 43.02 ? 136 TRP B CZ3 1 ATOM 1729 C CH2 . TRP B 1 112 ? 103.431 46.643 -1.092 1.00 35.59 ? 136 TRP B CH2 1 ATOM 1730 N N . PRO B 1 113 ? 97.364 43.767 1.767 1.00 25.46 ? 137 PRO B N 1 ATOM 1731 C CA . PRO B 1 113 ? 95.909 43.685 1.938 1.00 24.54 ? 137 PRO B CA 1 ATOM 1732 C C . PRO B 1 113 ? 95.166 42.950 0.827 1.00 24.58 ? 137 PRO B C 1 ATOM 1733 O O . PRO B 1 113 ? 95.487 43.089 -0.351 1.00 55.05 ? 137 PRO B O 1 ATOM 1734 C CB . PRO B 1 113 ? 95.486 45.154 1.965 1.00 33.50 ? 137 PRO B CB 1 ATOM 1735 C CG . PRO B 1 113 ? 96.496 45.839 1.133 1.00 36.15 ? 137 PRO B CG 1 ATOM 1736 C CD . PRO B 1 113 ? 97.789 45.125 1.382 1.00 27.11 ? 137 PRO B CD 1 ATOM 1737 N N . VAL B 1 114 ? 94.178 42.161 1.234 1.00 44.56 ? 138 VAL B N 1 ATOM 1738 C CA . VAL B 1 114 ? 93.291 41.452 0.319 1.00 36.45 ? 138 VAL B CA 1 ATOM 1739 C C . VAL B 1 114 ? 91.952 42.179 0.266 1.00 32.97 ? 138 VAL B C 1 ATOM 1740 O O . VAL B 1 114 ? 91.468 42.549 -0.804 1.00 29.38 ? 138 VAL B O 1 ATOM 1741 C CB . VAL B 1 114 ? 93.062 39.994 0.758 1.00 29.16 ? 138 VAL B CB 1 ATOM 1742 C CG1 . VAL B 1 114 ? 92.156 39.276 -0.228 1.00 29.39 ? 138 VAL B CG1 1 ATOM 1743 C CG2 . VAL B 1 114 ? 94.385 39.265 0.889 1.00 27.99 ? 138 VAL B CG2 1 ATOM 1744 N N . ILE B 1 115 ? 91.365 42.372 1.444 1.00 34.32 ? 139 ILE B N 1 ATOM 1745 C CA . ILE B 1 115 ? 90.091 43.065 1.585 1.00 37.15 ? 139 ILE B CA 1 ATOM 1746 C C . ILE B 1 115 ? 90.183 44.079 2.713 1.00 40.89 ? 139 ILE B C 1 ATOM 1747 O O . ILE B 1 115 ? 91.079 44.003 3.555 1.00 38.90 ? 139 ILE B O 1 ATOM 1748 C CB . ILE B 1 115 ? 88.933 42.097 1.890 1.00 31.29 ? 139 ILE B CB 1 ATOM 1749 C CG1 . ILE B 1 115 ? 89.214 41.329 3.190 1.00 32.10 ? 139 ILE B CG1 1 ATOM 1750 C CG2 . ILE B 1 115 ? 88.713 41.160 0.711 1.00 26.74 ? 139 ILE B CG2 1 ATOM 1751 C CD1 . ILE B 1 115 ? 88.093 40.412 3.626 1.00 34.92 ? 139 ILE B CD1 1 ATOM 1752 N N . SER B 1 116 ? 89.244 45.017 2.728 1.00 41.82 ? 140 SER B N 1 ATOM 1753 C CA . SER B 1 116 ? 89.210 46.054 3.747 1.00 37.74 ? 140 SER B CA 1 ATOM 1754 C C . SER B 1 116 ? 87.798 46.239 4.279 1.00 35.46 ? 140 SER B C 1 ATOM 1755 O O . SER B 1 116 ? 86.816 45.895 3.618 1.00 29.66 ? 140 SER B O 1 ATOM 1756 C CB . SER B 1 116 ? 89.733 47.377 3.185 1.00 42.39 ? 140 SER B CB 1 ATOM 1757 O OG . SER B 1 116 ? 91.076 47.252 2.753 1.00 45.64 ? 140 SER B OG 1 ATOM 1758 N N . ALA B 1 117 ? 87.713 46.784 5.486 1.00 35.51 ? 141 ALA B N 1 ATOM 1759 C CA . ALA B 1 117 ? 86.441 47.116 6.103 1.00 36.78 ? 141 ALA B CA 1 ATOM 1760 C C . ALA B 1 117 ? 86.597 48.456 6.794 1.00 31.34 ? 141 ALA B C 1 ATOM 1761 O O . ALA B 1 117 ? 87.708 48.845 7.148 1.00 33.96 ? 141 ALA B O 1 ATOM 1762 C CB . ALA B 1 117 ? 86.018 46.042 7.087 1.00 41.95 ? 141 ALA B CB 1 ATOM 1763 N N . PHE B 1 118 ? 85.487 49.156 6.989 1.00 31.47 ? 142 PHE B N 1 ATOM 1764 C CA . PHE B 1 118 ? 85.522 50.500 7.548 1.00 40.53 ? 142 PHE B CA 1 ATOM 1765 C C . PHE B 1 118 ? 84.547 50.640 8.707 1.00 43.39 ? 142 PHE B C 1 ATOM 1766 O O . PHE B 1 118 ? 83.635 49.829 8.875 1.00 46.68 ? 142 PHE B O 1 ATOM 1767 C CB . PHE B 1 118 ? 85.215 51.531 6.462 1.00 48.61 ? 142 PHE B CB 1 ATOM 1768 C CG . PHE B 1 118 ? 86.141 51.454 5.280 1.00 59.29 ? 142 PHE B CG 1 ATOM 1769 C CD1 . PHE B 1 118 ? 85.940 50.516 4.281 1.00 60.33 ? 142 PHE B CD1 1 ATOM 1770 C CD2 . PHE B 1 118 ? 87.214 52.323 5.168 1.00 67.50 ? 142 PHE B CD2 1 ATOM 1771 C CE1 . PHE B 1 118 ? 86.793 50.442 3.196 1.00 60.39 ? 142 PHE B CE1 1 ATOM 1772 C CE2 . PHE B 1 118 ? 88.069 52.256 4.084 1.00 66.66 ? 142 PHE B CE2 1 ATOM 1773 C CZ . PHE B 1 118 ? 87.858 51.314 3.097 1.00 63.89 ? 142 PHE B CZ 1 ATOM 1774 N N . ALA B 1 119 ? 84.756 51.677 9.506 1.00 47.95 ? 143 ALA B N 1 ATOM 1775 C CA . ALA B 1 119 ? 83.906 51.948 10.652 1.00 53.74 ? 143 ALA B CA 1 ATOM 1776 C C . ALA B 1 119 ? 83.933 53.432 10.962 1.00 64.93 ? 143 ALA B C 1 ATOM 1777 O O . ALA B 1 119 ? 84.998 54.031 11.113 1.00 67.32 ? 143 ALA B O 1 ATOM 1778 C CB . ALA B 1 119 ? 84.353 51.142 11.856 1.00 48.79 ? 143 ALA B CB 1 ATOM 1779 N N . GLY B 1 120 ? 82.749 54.019 11.058 1.00 74.50 ? 144 GLY B N 1 ATOM 1780 C CA . GLY B 1 120 ? 82.618 55.443 11.280 1.00 86.56 ? 144 GLY B CA 1 ATOM 1781 C C . GLY B 1 120 ? 82.971 55.808 12.704 1.00 91.97 ? 144 GLY B C 1 ATOM 1782 O O . GLY B 1 120 ? 83.482 54.986 13.466 1.00 82.67 ? 144 GLY B O 1 ATOM 1783 N N . ASP B 1 121 ? 82.692 57.057 13.055 1.00 106.33 ? 145 ASP B N 1 ATOM 1784 C CA . ASP B 1 121 ? 82.953 57.565 14.391 1.00 117.65 ? 145 ASP B CA 1 ATOM 1785 C C . ASP B 1 121 ? 81.615 57.907 15.017 1.00 122.24 ? 145 ASP B C 1 ATOM 1786 O O . ASP B 1 121 ? 80.882 58.757 14.510 1.00 127.29 ? 145 ASP B O 1 ATOM 1787 C CB . ASP B 1 121 ? 83.862 58.793 14.334 1.00 125.32 ? 145 ASP B CB 1 ATOM 1788 C CG . ASP B 1 121 ? 84.409 59.183 15.693 1.00 130.04 ? 145 ASP B CG 1 ATOM 1789 O OD1 . ASP B 1 121 ? 84.451 58.324 16.599 1.00 125.03 ? 145 ASP B OD1 1 ATOM 1790 O OD2 . ASP B 1 121 ? 84.782 60.361 15.856 1.00 137.61 ? 145 ASP B OD2 1 ATOM 1791 N N . GLN B 1 122 ? 81.297 57.240 16.121 1.00 120.90 ? 146 GLN B N 1 ATOM 1792 C CA . GLN B 1 122 ? 80.043 57.495 16.812 1.00 124.31 ? 146 GLN B CA 1 ATOM 1793 C C . GLN B 1 122 ? 80.095 57.116 18.289 1.00 135.89 ? 146 GLN B C 1 ATOM 1794 O O . GLN B 1 122 ? 80.774 56.162 18.672 1.00 137.20 ? 146 GLN B O 1 ATOM 1795 C CB . GLN B 1 122 ? 78.944 56.693 16.109 1.00 113.72 ? 146 GLN B CB 1 ATOM 1796 C CG . GLN B 1 122 ? 77.563 56.798 16.702 1.00 109.59 ? 146 GLN B CG 1 ATOM 1797 C CD . GLN B 1 122 ? 76.856 58.073 16.306 1.00 109.31 ? 146 GLN B CD 1 ATOM 1798 O OE1 . GLN B 1 122 ? 77.328 59.174 16.585 1.00 107.60 ? 146 GLN B OE1 1 ATOM 1799 N NE2 . GLN B 1 122 ? 75.716 57.929 15.642 1.00 104.78 ? 146 GLN B NE2 1 ATOM 1800 N N . ASP B 1 123 ? 79.349 57.862 19.104 1.00 144.98 ? 147 ASP B N 1 ATOM 1801 C CA . ASP B 1 123 ? 79.374 57.693 20.555 1.00 146.47 ? 147 ASP B CA 1 ATOM 1802 C C . ASP B 1 123 ? 78.184 56.876 21.051 1.00 148.08 ? 147 ASP B C 1 ATOM 1803 O O . ASP B 1 123 ? 78.312 56.079 21.981 1.00 145.08 ? 147 ASP B O 1 ATOM 1804 C CB . ASP B 1 123 ? 79.395 59.060 21.245 1.00 143.79 ? 147 ASP B CB 1 ATOM 1805 C CG . ASP B 1 123 ? 79.793 58.972 22.706 1.00 135.39 ? 147 ASP B CG 1 ATOM 1806 O OD1 . ASP B 1 123 ? 81.005 58.845 22.986 1.00 125.96 ? 147 ASP B OD1 1 ATOM 1807 O OD2 . ASP B 1 123 ? 78.898 59.037 23.575 1.00 137.15 ? 147 ASP B OD2 1 ATOM 1808 N N . VAL B 1 124 ? 77.029 57.087 20.421 1.00 151.03 ? 148 VAL B N 1 ATOM 1809 C CA . VAL B 1 124 ? 75.777 56.467 20.853 1.00 149.33 ? 148 VAL B CA 1 ATOM 1810 C C . VAL B 1 124 ? 75.907 54.948 20.834 1.00 140.64 ? 148 VAL B C 1 ATOM 1811 O O . VAL B 1 124 ? 75.218 54.244 21.573 1.00 136.13 ? 148 VAL B O 1 ATOM 1812 C CB . VAL B 1 124 ? 74.574 56.911 19.980 1.00 116.64 ? 148 VAL B CB 1 ATOM 1813 C CG1 . VAL B 1 124 ? 74.688 56.368 18.567 1.00 117.99 ? 148 VAL B CG1 1 ATOM 1814 C CG2 . VAL B 1 124 ? 73.263 56.464 20.611 1.00 114.01 ? 148 VAL B CG2 1 ATOM 1815 N N . THR B 1 125 ? 76.798 54.454 19.981 1.00 136.13 ? 149 THR B N 1 ATOM 1816 C CA . THR B 1 125 ? 76.968 53.023 19.798 1.00 129.56 ? 149 THR B CA 1 ATOM 1817 C C . THR B 1 125 ? 78.379 52.671 19.346 1.00 127.20 ? 149 THR B C 1 ATOM 1818 O O . THR B 1 125 ? 79.155 53.534 18.931 1.00 128.46 ? 149 THR B O 1 ATOM 1819 C CB . THR B 1 125 ? 75.964 52.478 18.756 1.00 122.83 ? 149 THR B CB 1 ATOM 1820 O OG1 . THR B 1 125 ? 76.003 51.046 18.747 1.00 114.21 ? 149 THR B OG1 1 ATOM 1821 C CG2 . THR B 1 125 ? 76.288 53.005 17.355 1.00 122.73 ? 149 THR B CG2 1 ATOM 1822 N N . ARG B 1 126 ? 78.694 51.386 19.438 1.00 122.17 ? 150 ARG B N 1 ATOM 1823 C CA . ARG B 1 126 ? 79.887 50.825 18.828 1.00 116.68 ? 150 ARG B CA 1 ATOM 1824 C C . ARG B 1 126 ? 79.651 50.607 17.338 1.00 117.13 ? 150 ARG B C 1 ATOM 1825 O O . ARG B 1 126 ? 78.509 50.442 16.901 1.00 119.94 ? 150 ARG B O 1 ATOM 1826 C CB . ARG B 1 126 ? 80.279 49.517 19.517 1.00 111.45 ? 150 ARG B CB 1 ATOM 1827 C CG . ARG B 1 126 ? 80.589 49.683 20.997 1.00 111.71 ? 150 ARG B CG 1 ATOM 1828 C CD . ARG B 1 126 ? 81.149 48.409 21.602 1.00 111.92 ? 150 ARG B CD 1 ATOM 1829 N NE . ARG B 1 126 ? 81.450 48.571 23.024 1.00 117.14 ? 150 ARG B NE 1 ATOM 1830 C CZ . ARG B 1 126 ? 82.636 48.342 23.586 1.00 123.73 ? 150 ARG B CZ 1 ATOM 1831 N NH1 . ARG B 1 126 ? 83.676 47.934 22.864 1.00 120.64 ? 150 ARG B NH1 1 ATOM 1832 N NH2 . ARG B 1 126 ? 82.787 48.529 24.891 1.00 130.25 ? 150 ARG B NH2 1 ATOM 1833 N N . GLU B 1 127 ? 80.730 50.614 16.562 1.00 112.83 ? 151 GLU B N 1 ATOM 1834 C CA . GLU B 1 127 ? 80.650 50.308 15.140 1.00 108.88 ? 151 GLU B CA 1 ATOM 1835 C C . GLU B 1 127 ? 81.625 49.201 14.784 1.00 96.44 ? 151 GLU B C 1 ATOM 1836 O O . GLU B 1 127 ? 82.624 48.994 15.477 1.00 94.06 ? 151 GLU B O 1 ATOM 1837 C CB . GLU B 1 127 ? 80.971 51.550 14.303 1.00 114.08 ? 151 GLU B CB 1 ATOM 1838 C CG . GLU B 1 127 ? 79.879 52.604 14.264 1.00 117.59 ? 151 GLU B CG 1 ATOM 1839 C CD . GLU B 1 127 ? 79.542 53.040 12.848 1.00 115.47 ? 151 GLU B CD 1 ATOM 1840 O OE1 . GLU B 1 127 ? 79.363 52.162 11.976 1.00 114.67 ? 151 GLU B OE1 1 ATOM 1841 O OE2 . GLU B 1 127 ? 79.462 54.262 12.606 1.00 113.54 ? 151 GLU B OE2 1 ATOM 1842 N N . ALA B 1 128 ? 81.325 48.490 13.701 1.00 86.13 ? 152 ALA B N 1 ATOM 1843 C CA . ALA B 1 128 ? 82.108 47.324 13.322 1.00 75.79 ? 152 ALA B CA 1 ATOM 1844 C C . ALA B 1 128 ? 82.662 47.462 11.914 1.00 67.43 ? 152 ALA B C 1 ATOM 1845 O O . ALA B 1 128 ? 81.932 47.782 10.975 1.00 70.21 ? 152 ALA B O 1 ATOM 1846 C CB . ALA B 1 128 ? 81.264 46.067 13.430 1.00 73.27 ? 152 ALA B CB 1 ATOM 1847 N N . ALA B 1 129 ? 83.961 47.218 11.782 1.00 58.55 ? 153 ALA B N 1 ATOM 1848 C CA . ALA B 1 129 ? 84.582 47.037 10.482 1.00 46.52 ? 153 ALA B CA 1 ATOM 1849 C C . ALA B 1 129 ? 84.557 45.550 10.181 1.00 37.68 ? 153 ALA B C 1 ATOM 1850 O O . ALA B 1 129 ? 85.371 44.795 10.712 1.00 41.99 ? 153 ALA B O 1 ATOM 1851 C CB . ALA B 1 129 ? 86.001 47.578 10.469 1.00 45.98 ? 153 ALA B CB 1 ATOM 1852 N N . SER B 1 130 ? 83.620 45.129 9.341 1.00 32.91 ? 154 SER B N 1 ATOM 1853 C CA . SER B 1 130 ? 83.408 43.711 9.096 1.00 32.64 ? 154 SER B CA 1 ATOM 1854 C C . SER B 1 130 ? 83.549 43.381 7.624 1.00 32.99 ? 154 SER B C 1 ATOM 1855 O O . SER B 1 130 ? 83.109 44.134 6.756 1.00 36.93 ? 154 SER B O 1 ATOM 1856 C CB . SER B 1 130 ? 82.027 43.280 9.592 1.00 41.70 ? 154 SER B CB 1 ATOM 1857 O OG . SER B 1 130 ? 81.753 43.829 10.870 1.00 52.36 ? 154 SER B OG 1 ATOM 1858 N N . ASN B 1 131 ? 84.175 42.243 7.356 1.00 28.94 ? 155 ASN B N 1 ATOM 1859 C CA . ASN B 1 131 ? 84.247 41.705 6.012 1.00 28.29 ? 155 ASN B CA 1 ATOM 1860 C C . ASN B 1 131 ? 84.701 40.259 6.075 1.00 28.51 ? 155 ASN B C 1 ATOM 1861 O O . ASN B 1 131 ? 85.090 39.767 7.133 1.00 28.28 ? 155 ASN B O 1 ATOM 1862 C CB . ASN B 1 131 ? 85.190 42.532 5.138 1.00 30.17 ? 155 ASN B CB 1 ATOM 1863 C CG . ASN B 1 131 ? 84.814 42.480 3.667 1.00 34.89 ? 155 ASN B CG 1 ATOM 1864 O OD1 . ASN B 1 131 ? 84.292 41.473 3.183 1.00 32.97 ? 155 ASN B OD1 1 ATOM 1865 N ND2 . ASN B 1 131 ? 85.075 43.568 2.949 1.00 35.12 ? 155 ASN B ND2 1 ATOM 1866 N N . GLY B 1 132 ? 84.649 39.580 4.938 1.00 29.82 ? 156 GLY B N 1 ATOM 1867 C CA . GLY B 1 132 ? 85.030 38.184 4.867 1.00 29.59 ? 156 GLY B CA 1 ATOM 1868 C C . GLY B 1 132 ? 85.286 37.808 3.426 1.00 31.45 ? 156 GLY B C 1 ATOM 1869 O O . GLY B 1 132 ? 84.812 38.480 2.511 1.00 36.14 ? 156 GLY B O 1 ATOM 1870 N N . VAL B 1 133 ? 86.031 36.730 3.217 1.00 26.42 ? 157 VAL B N 1 ATOM 1871 C CA . VAL B 1 133 ? 86.470 36.383 1.878 1.00 28.90 ? 157 VAL B CA 1 ATOM 1872 C C . VAL B 1 133 ? 87.050 34.976 1.819 1.00 30.86 ? 157 VAL B C 1 ATOM 1873 O O . VAL B 1 133 ? 87.495 34.429 2.829 1.00 28.44 ? 157 VAL B O 1 ATOM 1874 C CB . VAL B 1 133 ? 87.520 37.402 1.376 1.00 30.60 ? 157 VAL B CB 1 ATOM 1875 C CG1 . VAL B 1 133 ? 88.822 37.275 2.168 1.00 29.26 ? 157 VAL B CG1 1 ATOM 1876 C CG2 . VAL B 1 133 ? 87.770 37.245 -0.115 1.00 29.09 ? 157 VAL B CG2 1 ATOM 1877 N N . LEU B 1 134 ? 87.018 34.396 0.624 1.00 34.97 ? 158 LEU B N 1 ATOM 1878 C CA . LEU B 1 134 ? 87.724 33.159 0.335 1.00 33.06 ? 158 LEU B CA 1 ATOM 1879 C C . LEU B 1 134 ? 88.997 33.481 -0.433 1.00 35.18 ? 158 LEU B C 1 ATOM 1880 O O . LEU B 1 134 ? 88.962 34.218 -1.418 1.00 39.45 ? 158 LEU B O 1 ATOM 1881 C CB . LEU B 1 134 ? 86.843 32.213 -0.478 1.00 31.56 ? 158 LEU B CB 1 ATOM 1882 C CG . LEU B 1 134 ? 85.520 31.823 0.173 1.00 32.68 ? 158 LEU B CG 1 ATOM 1883 C CD1 . LEU B 1 134 ? 84.647 31.068 -0.809 1.00 37.03 ? 158 LEU B CD1 1 ATOM 1884 C CD2 . LEU B 1 134 ? 85.780 30.990 1.406 1.00 32.56 ? 158 LEU B CD2 1 ATOM 1885 N N . ILE B 1 135 ? 90.120 32.938 0.023 1.00 31.39 ? 159 ILE B N 1 ATOM 1886 C CA . ILE B 1 135 ? 91.386 33.126 -0.669 1.00 30.92 ? 159 ILE B CA 1 ATOM 1887 C C . ILE B 1 135 ? 92.181 31.831 -0.714 1.00 34.44 ? 159 ILE B C 1 ATOM 1888 O O . ILE B 1 135 ? 92.070 30.990 0.177 1.00 39.49 ? 159 ILE B O 1 ATOM 1889 C CB . ILE B 1 135 ? 92.248 34.220 -0.003 1.00 26.77 ? 159 ILE B CB 1 ATOM 1890 C CG1 . ILE B 1 135 ? 92.513 33.886 1.466 1.00 24.87 ? 159 ILE B CG1 1 ATOM 1891 C CG2 . ILE B 1 135 ? 91.566 35.566 -0.135 1.00 27.78 ? 159 ILE B CG2 1 ATOM 1892 C CD1 . ILE B 1 135 ? 93.441 34.865 2.163 1.00 30.89 ? 159 ILE B CD1 1 ATOM 1893 N N . GLN B 1 136 ? 92.968 31.673 -1.771 1.00 34.31 ? 160 GLN B N 1 ATOM 1894 C CA . GLN B 1 136 ? 93.904 30.567 -1.868 1.00 34.16 ? 160 GLN B CA 1 ATOM 1895 C C . GLN B 1 136 ? 95.178 30.924 -1.115 1.00 37.79 ? 160 GLN B C 1 ATOM 1896 O O . GLN B 1 136 ? 95.698 32.033 -1.252 1.00 39.83 ? 160 GLN B O 1 ATOM 1897 C CB . GLN B 1 136 ? 94.218 30.241 -3.328 1.00 34.72 ? 160 GLN B CB 1 ATOM 1898 C CG . GLN B 1 136 ? 95.168 29.068 -3.501 1.00 38.93 ? 160 GLN B CG 1 ATOM 1899 C CD . GLN B 1 136 ? 95.384 28.699 -4.954 1.00 46.41 ? 160 GLN B CD 1 ATOM 1900 O OE1 . GLN B 1 136 ? 94.444 28.344 -5.664 1.00 45.43 ? 160 GLN B OE1 1 ATOM 1901 N NE2 . GLN B 1 136 ? 96.630 28.779 -5.404 1.00 53.76 ? 160 GLN B NE2 1 ATOM 1902 N N . MET B 1 137 ? 95.668 29.984 -0.314 1.00 39.78 ? 161 MET B N 1 ATOM 1903 C CA . MET B 1 137 ? 96.918 30.162 0.416 1.00 41.66 ? 161 MET B CA 1 ATOM 1904 C C . MET B 1 137 ? 97.858 29.006 0.117 1.00 45.50 ? 161 MET B C 1 ATOM 1905 O O . MET B 1 137 ? 97.418 27.895 -0.172 1.00 45.87 ? 161 MET B O 1 ATOM 1906 C CB . MET B 1 137 ? 96.668 30.261 1.922 1.00 39.80 ? 161 MET B CB 1 ATOM 1907 C CG . MET B 1 137 ? 95.853 31.473 2.340 1.00 40.27 ? 161 MET B CG 1 ATOM 1908 S SD . MET B 1 137 ? 95.585 31.553 4.124 1.00 45.54 ? 161 MET B SD 1 ATOM 1909 C CE . MET B 1 137 ? 97.214 32.019 4.703 1.00 27.43 ? 161 MET B CE 1 ATOM 1910 N N . GLU B 1 138 ? 99.154 29.288 0.183 1.00 48.35 ? 162 GLU B N 1 ATOM 1911 C CA . GLU B 1 138 ? 100.185 28.270 0.050 1.00 50.34 ? 162 GLU B CA 1 ATOM 1912 C C . GLU B 1 138 ? 100.688 27.917 1.441 1.00 46.44 ? 162 GLU B C 1 ATOM 1913 O O . GLU B 1 138 ? 100.400 28.635 2.399 1.00 42.84 ? 162 GLU B O 1 ATOM 1914 C CB . GLU B 1 138 ? 101.337 28.785 -0.813 1.00 50.16 ? 162 GLU B CB 1 ATOM 1915 C CG . GLU B 1 138 ? 100.951 29.108 -2.246 1.00 54.40 ? 162 GLU B CG 1 ATOM 1916 C CD . GLU B 1 138 ? 100.470 27.898 -3.013 1.00 63.91 ? 162 GLU B CD 1 ATOM 1917 O OE1 . GLU B 1 138 ? 101.006 26.794 -2.781 1.00 70.82 ? 162 GLU B OE1 1 ATOM 1918 O OE2 . GLU B 1 138 ? 99.555 28.053 -3.848 1.00 63.78 ? 162 GLU B OE2 1 ATOM 1919 N N . LYS B 1 139 ? 101.421 26.815 1.568 1.00 49.01 ? 163 LYS B N 1 ATOM 1920 C CA . LYS B 1 139 ? 101.995 26.468 2.861 1.00 49.81 ? 163 LYS B CA 1 ATOM 1921 C C . LYS B 1 139 ? 102.918 27.598 3.307 1.00 44.43 ? 163 LYS B C 1 ATOM 1922 O O . LYS B 1 139 ? 103.722 28.098 2.522 1.00 42.54 ? 163 LYS B O 1 ATOM 1923 C CB . LYS B 1 139 ? 102.759 25.141 2.806 1.00 51.77 ? 163 LYS B CB 1 ATOM 1924 C CG . LYS B 1 139 ? 103.126 24.609 4.191 1.00 58.16 ? 163 LYS B CG 1 ATOM 1925 C CD . LYS B 1 139 ? 104.260 23.593 4.158 1.00 65.89 ? 163 LYS B CD 1 ATOM 1926 C CE . LYS B 1 139 ? 103.790 22.229 3.688 1.00 73.59 ? 163 LYS B CE 1 ATOM 1927 N NZ . LYS B 1 139 ? 104.786 21.170 4.019 1.00 81.25 ? 163 LYS B NZ 1 ATOM 1928 N N . GLY B 1 140 ? 102.790 27.999 4.566 1.00 40.76 ? 164 GLY B N 1 ATOM 1929 C CA . GLY B 1 140 ? 103.634 29.036 5.127 1.00 41.49 ? 164 GLY B CA 1 ATOM 1930 C C . GLY B 1 140 ? 103.159 30.451 4.848 1.00 41.90 ? 164 GLY B C 1 ATOM 1931 O O . GLY B 1 140 ? 103.824 31.410 5.240 1.00 46.70 ? 164 GLY B O 1 ATOM 1932 N N . ASP B 1 141 ? 102.021 30.591 4.172 1.00 39.78 ? 165 ASP B N 1 ATOM 1933 C CA . ASP B 1 141 ? 101.422 31.909 3.971 1.00 36.93 ? 165 ASP B CA 1 ATOM 1934 C C . ASP B 1 141 ? 100.786 32.391 5.268 1.00 36.71 ? 165 ASP B C 1 ATOM 1935 O O . ASP B 1 141 ? 100.164 31.610 5.990 1.00 39.71 ? 165 ASP B O 1 ATOM 1936 C CB . ASP B 1 141 ? 100.373 31.880 2.855 1.00 39.73 ? 165 ASP B CB 1 ATOM 1937 C CG . ASP B 1 141 ? 100.986 31.935 1.461 1.00 47.53 ? 165 ASP B CG 1 ATOM 1938 O OD1 . ASP B 1 141 ? 102.150 32.371 1.319 1.00 47.45 ? 165 ASP B OD1 1 ATOM 1939 O OD2 . ASP B 1 141 ? 100.291 31.551 0.497 1.00 49.44 ? 165 ASP B OD2 1 ATOM 1940 N N . ARG B 1 142 ? 100.944 33.681 5.552 1.00 33.68 ? 166 ARG B N 1 ATOM 1941 C CA . ARG B 1 142 ? 100.485 34.259 6.811 1.00 34.61 ? 166 ARG B CA 1 ATOM 1942 C C . ARG B 1 142 ? 99.280 35.164 6.612 1.00 29.60 ? 166 ARG B C 1 ATOM 1943 O O . ARG B 1 142 ? 99.300 36.059 5.768 1.00 31.72 ? 166 ARG B O 1 ATOM 1944 C CB . ARG B 1 142 ? 101.608 35.044 7.479 1.00 39.00 ? 166 ARG B CB 1 ATOM 1945 C CG . ARG B 1 142 ? 102.844 34.219 7.744 1.00 46.67 ? 166 ARG B CG 1 ATOM 1946 C CD . ARG B 1 142 ? 103.931 35.048 8.382 1.00 55.82 ? 166 ARG B CD 1 ATOM 1947 N NE . ARG B 1 142 ? 105.239 34.443 8.178 1.00 70.96 ? 166 ARG B NE 1 ATOM 1948 C CZ . ARG B 1 142 ? 106.391 35.015 8.508 1.00 82.92 ? 166 ARG B CZ 1 ATOM 1949 N NH1 . ARG B 1 142 ? 106.402 36.220 9.068 1.00 84.52 ? 166 ARG B NH1 1 ATOM 1950 N NH2 . ARG B 1 142 ? 107.531 34.375 8.275 1.00 87.22 ? 166 ARG B NH2 1 ATOM 1951 N N . ALA B 1 143 ? 98.238 34.925 7.401 1.00 26.94 ? 167 ALA B N 1 ATOM 1952 C CA . ALA B 1 143 ? 97.031 35.739 7.366 1.00 27.02 ? 167 ALA B CA 1 ATOM 1953 C C . ALA B 1 143 ? 96.789 36.380 8.723 1.00 27.46 ? 167 ALA B C 1 ATOM 1954 O O . ALA B 1 143 ? 96.892 35.721 9.758 1.00 28.06 ? 167 ALA B O 1 ATOM 1955 C CB . ALA B 1 143 ? 95.833 34.905 6.955 1.00 30.91 ? 167 ALA B CB 1 ATOM 1956 N N . TYR B 1 144 ? 96.481 37.671 8.711 1.00 28.53 ? 168 TYR B N 1 ATOM 1957 C CA . TYR B 1 144 ? 96.228 38.406 9.943 1.00 25.40 ? 168 TYR B CA 1 ATOM 1958 C C . TYR B 1 144 ? 95.572 39.748 9.646 1.00 24.74 ? 168 TYR B C 1 ATOM 1959 O O . TYR B 1 144 ? 95.535 40.188 8.498 1.00 26.27 ? 168 TYR B O 1 ATOM 1960 C CB . TYR B 1 144 ? 97.526 38.611 10.718 1.00 23.52 ? 168 TYR B CB 1 ATOM 1961 C CG . TYR B 1 144 ? 98.587 39.357 9.949 1.00 27.85 ? 168 TYR B CG 1 ATOM 1962 C CD1 . TYR B 1 144 ? 99.429 38.693 9.069 1.00 33.30 ? 168 TYR B CD1 1 ATOM 1963 C CD2 . TYR B 1 144 ? 98.750 40.724 10.105 1.00 32.26 ? 168 TYR B CD2 1 ATOM 1964 C CE1 . TYR B 1 144 ? 100.404 39.371 8.366 1.00 36.44 ? 168 TYR B CE1 1 ATOM 1965 C CE2 . TYR B 1 144 ? 99.722 41.410 9.408 1.00 36.88 ? 168 TYR B CE2 1 ATOM 1966 C CZ . TYR B 1 144 ? 100.544 40.728 8.541 1.00 37.88 ? 168 TYR B CZ 1 ATOM 1967 O OH . TYR B 1 144 ? 101.514 41.408 7.848 1.00 43.07 ? 168 TYR B OH 1 ATOM 1968 N N . LEU B 1 145 ? 95.073 40.400 10.689 1.00 29.85 ? 169 LEU B N 1 ATOM 1969 C CA . LEU B 1 145 ? 94.378 41.672 10.537 1.00 30.24 ? 169 LEU B CA 1 ATOM 1970 C C . LEU B 1 145 ? 95.301 42.810 10.932 1.00 27.22 ? 169 LEU B C 1 ATOM 1971 O O . LEU B 1 145 ? 95.955 42.757 11.972 1.00 28.40 ? 169 LEU B O 1 ATOM 1972 C CB . LEU B 1 145 ? 93.115 41.698 11.397 1.00 25.63 ? 169 LEU B CB 1 ATOM 1973 C CG . LEU B 1 145 ? 92.163 40.514 11.216 1.00 23.40 ? 169 LEU B CG 1 ATOM 1974 C CD1 . LEU B 1 145 ? 90.957 40.657 12.129 1.00 20.21 ? 169 LEU B CD1 1 ATOM 1975 C CD2 . LEU B 1 145 ? 91.722 40.377 9.769 1.00 27.57 ? 169 LEU B CD2 1 ATOM 1976 N N . LYS B 1 146 ? 95.350 43.837 10.092 1.00 27.54 ? 170 LYS B N 1 ATOM 1977 C CA . LYS B 1 146 ? 96.177 45.002 10.355 1.00 34.22 ? 170 LYS B CA 1 ATOM 1978 C C . LYS B 1 146 ? 95.294 46.242 10.315 1.00 38.05 ? 170 LYS B C 1 ATOM 1979 O O . LYS B 1 146 ? 94.396 46.348 9.479 1.00 41.05 ? 170 LYS B O 1 ATOM 1980 C CB . LYS B 1 146 ? 97.308 45.114 9.330 1.00 40.58 ? 170 LYS B CB 1 ATOM 1981 C CG . LYS B 1 146 ? 98.478 45.957 9.803 1.00 52.51 ? 170 LYS B CG 1 ATOM 1982 C CD . LYS B 1 146 ? 99.431 46.301 8.672 1.00 65.36 ? 170 LYS B CD 1 ATOM 1983 C CE . LYS B 1 146 ? 99.150 47.713 8.169 1.00 79.87 ? 170 LYS B CE 1 ATOM 1984 N NZ . LYS B 1 146 ? 99.964 48.106 6.986 1.00 88.73 ? 170 LYS B NZ 1 ATOM 1985 N N . LEU B 1 147 ? 95.548 47.178 11.220 1.00 39.74 ? 171 LEU B N 1 ATOM 1986 C CA . LEU B 1 147 ? 94.800 48.426 11.254 1.00 39.47 ? 171 LEU B CA 1 ATOM 1987 C C . LEU B 1 147 ? 95.403 49.449 10.289 1.00 43.43 ? 171 LEU B C 1 ATOM 1988 O O . LEU B 1 147 ? 96.382 50.117 10.614 1.00 42.76 ? 171 LEU B O 1 ATOM 1989 C CB . LEU B 1 147 ? 94.772 48.984 12.678 1.00 38.58 ? 171 LEU B CB 1 ATOM 1990 C CG . LEU B 1 147 ? 93.773 50.111 12.931 1.00 44.88 ? 171 LEU B CG 1 ATOM 1991 C CD1 . LEU B 1 147 ? 92.347 49.580 12.920 1.00 45.34 ? 171 LEU B CD1 1 ATOM 1992 C CD2 . LEU B 1 147 ? 94.074 50.806 14.243 1.00 48.89 ? 171 LEU B CD2 1 ATOM 1993 N N . GLU B 1 148 ? 94.813 49.561 9.101 1.00 47.97 ? 172 GLU B N 1 ATOM 1994 C CA . GLU B 1 148 ? 95.333 50.440 8.052 1.00 58.58 ? 172 GLU B CA 1 ATOM 1995 C C . GLU B 1 148 ? 95.190 51.924 8.370 1.00 62.46 ? 172 GLU B C 1 ATOM 1996 O O . GLU B 1 148 ? 95.918 52.745 7.823 1.00 66.47 ? 172 GLU B O 1 ATOM 1997 C CB . GLU B 1 148 ? 94.627 50.170 6.721 1.00 64.20 ? 172 GLU B CB 1 ATOM 1998 C CG . GLU B 1 148 ? 94.813 48.779 6.159 1.00 70.18 ? 172 GLU B CG 1 ATOM 1999 C CD . GLU B 1 148 ? 95.841 48.740 5.042 1.00 76.24 ? 172 GLU B CD 1 ATOM 2000 O OE1 . GLU B 1 148 ? 95.463 48.404 3.897 1.00 71.58 ? 172 GLU B OE1 1 ATOM 2001 O OE2 . GLU B 1 148 ? 97.024 49.051 5.305 1.00 84.86 ? 172 GLU B OE2 1 ATOM 2002 N N . ARG B 1 149 ? 94.237 52.283 9.219 1.00 64.23 ? 173 ARG B N 1 ATOM 2003 C CA . ARG B 1 149 ? 94.021 53.691 9.519 1.00 68.81 ? 173 ARG B CA 1 ATOM 2004 C C . ARG B 1 149 ? 93.307 53.853 10.855 1.00 64.63 ? 173 ARG B C 1 ATOM 2005 O O . ARG B 1 149 ? 92.605 52.950 11.308 1.00 59.63 ? 173 ARG B O 1 ATOM 2006 C CB . ARG B 1 149 ? 93.231 54.352 8.384 1.00 78.02 ? 173 ARG B CB 1 ATOM 2007 C CG . ARG B 1 149 ? 93.209 55.875 8.429 1.00 91.04 ? 173 ARG B CG 1 ATOM 2008 C CD . ARG B 1 149 ? 92.306 56.463 7.351 1.00 100.89 ? 173 ARG B CD 1 ATOM 2009 N NE . ARG B 1 149 ? 90.911 56.062 7.506 1.00 108.18 ? 173 ARG B NE 1 ATOM 2010 C CZ . ARG B 1 149 ? 89.907 56.546 6.780 1.00 116.33 ? 173 ARG B CZ 1 ATOM 2011 N NH1 . ARG B 1 149 ? 90.135 57.457 5.842 1.00 121.74 ? 173 ARG B NH1 1 ATOM 2012 N NH2 . ARG B 1 149 ? 88.670 56.119 6.994 1.00 117.17 ? 173 ARG B NH2 1 ATOM 2013 N N . GLY B 1 150 ? 93.500 55.007 11.484 1.00 68.25 ? 174 GLY B N 1 ATOM 2014 C CA . GLY B 1 150 ? 92.907 55.281 12.780 1.00 67.61 ? 174 GLY B CA 1 ATOM 2015 C C . GLY B 1 150 ? 93.582 54.473 13.872 1.00 60.97 ? 174 GLY B C 1 ATOM 2016 O O . GLY B 1 150 ? 94.625 53.858 13.643 1.00 55.19 ? 174 GLY B O 1 ATOM 2017 N N . ASN B 1 151 ? 92.988 54.481 15.061 1.00 60.02 ? 175 ASN B N 1 ATOM 2018 C CA . ASN B 1 151 ? 93.492 53.700 16.186 1.00 56.58 ? 175 ASN B CA 1 ATOM 2019 C C . ASN B 1 151 ? 92.343 53.038 16.935 1.00 52.39 ? 175 ASN B C 1 ATOM 2020 O O . ASN B 1 151 ? 91.175 53.336 16.677 1.00 50.07 ? 175 ASN B O 1 ATOM 2021 C CB . ASN B 1 151 ? 94.306 54.582 17.136 1.00 60.28 ? 175 ASN B CB 1 ATOM 2022 C CG . ASN B 1 151 ? 93.488 55.710 17.738 1.00 63.11 ? 175 ASN B CG 1 ATOM 2023 O OD1 . ASN B 1 151 ? 92.554 55.476 18.505 1.00 61.56 ? 175 ASN B OD1 1 ATOM 2024 N ND2 . ASN B 1 151 ? 93.840 56.943 17.395 1.00 67.47 ? 175 ASN B ND2 1 ATOM 2025 N N . LEU B 1 152 ? 92.678 52.136 17.854 1.00 49.98 ? 176 LEU B N 1 ATOM 2026 C CA . LEU B 1 152 ? 91.673 51.424 18.635 1.00 46.73 ? 176 LEU B CA 1 ATOM 2027 C C . LEU B 1 152 ? 91.761 51.781 20.117 1.00 49.17 ? 176 LEU B C 1 ATOM 2028 O O . LEU B 1 152 ? 91.663 50.911 20.982 1.00 47.45 ? 176 LEU B O 1 ATOM 2029 C CB . LEU B 1 152 ? 91.824 49.912 18.446 1.00 45.74 ? 176 LEU B CB 1 ATOM 2030 C CG . LEU B 1 152 ? 91.579 49.381 17.029 1.00 44.07 ? 176 LEU B CG 1 ATOM 2031 C CD1 . LEU B 1 152 ? 91.828 47.877 16.966 1.00 41.84 ? 176 LEU B CD1 1 ATOM 2032 C CD2 . LEU B 1 152 ? 90.169 49.707 16.550 1.00 44.88 ? 176 LEU B CD2 1 ATOM 2033 N N . MET B 1 153 ? 91.943 53.066 20.406 1.00 54.12 ? 177 MET B N 1 ATOM 2034 C CA . MET B 1 153 ? 91.870 53.545 21.779 1.00 57.29 ? 177 MET B CA 1 ATOM 2035 C C . MET B 1 153 ? 90.457 53.316 22.299 1.00 55.14 ? 177 MET B C 1 ATOM 2036 O O . MET B 1 153 ? 89.486 53.446 21.554 1.00 55.42 ? 177 MET B O 1 ATOM 2037 C CB . MET B 1 153 ? 92.240 55.026 21.878 1.00 64.35 ? 177 MET B CB 1 ATOM 2038 C CG . MET B 1 153 ? 93.695 55.354 21.575 1.00 66.66 ? 177 MET B CG 1 ATOM 2039 S SD . MET B 1 153 ? 94.859 54.544 22.694 1.00 228.31 ? 177 MET B SD 1 ATOM 2040 C CE . MET B 1 153 ? 96.029 53.841 21.534 1.00 65.42 ? 177 MET B CE 1 ATOM 2041 N N . GLY B 1 154 ? 90.351 52.966 23.576 1.00 56.05 ? 178 GLY B N 1 ATOM 2042 C CA . GLY B 1 154 ? 89.083 52.565 24.154 1.00 55.42 ? 178 GLY B CA 1 ATOM 2043 C C . GLY B 1 154 ? 88.880 51.070 24.004 1.00 51.35 ? 178 GLY B C 1 ATOM 2044 O O . GLY B 1 154 ? 87.850 50.526 24.403 1.00 50.45 ? 178 GLY B O 1 ATOM 2045 N N . GLY B 1 155 ? 89.869 50.405 23.416 1.00 52.57 ? 179 GLY B N 1 ATOM 2046 C CA . GLY B 1 155 ? 89.827 48.966 23.251 1.00 51.34 ? 179 GLY B CA 1 ATOM 2047 C C . GLY B 1 155 ? 88.973 48.571 22.070 1.00 46.93 ? 179 GLY B C 1 ATOM 2048 O O . GLY B 1 155 ? 88.295 49.410 21.474 1.00 51.10 ? 179 GLY B O 1 ATOM 2049 N N . TRP B 1 156 ? 89.003 47.286 21.739 1.00 42.24 ? 180 TRP B N 1 ATOM 2050 C CA . TRP B 1 156 ? 88.182 46.755 20.664 1.00 41.02 ? 180 TRP B CA 1 ATOM 2051 C C . TRP B 1 156 ? 87.491 45.478 21.131 1.00 38.44 ? 180 TRP B C 1 ATOM 2052 O O . TRP B 1 156 ? 87.473 44.466 20.432 1.00 36.66 ? 180 TRP B O 1 ATOM 2053 C CB . TRP B 1 156 ? 89.031 46.507 19.409 1.00 37.87 ? 180 TRP B CB 1 ATOM 2054 C CG . TRP B 1 156 ? 90.184 45.565 19.610 1.00 38.12 ? 180 TRP B CG 1 ATOM 2055 C CD1 . TRP B 1 156 ? 90.269 44.270 19.186 1.00 34.88 ? 180 TRP B CD1 1 ATOM 2056 C CD2 . TRP B 1 156 ? 91.417 45.846 20.285 1.00 40.53 ? 180 TRP B CD2 1 ATOM 2057 N NE1 . TRP B 1 156 ? 91.476 43.728 19.556 1.00 34.82 ? 180 TRP B NE1 1 ATOM 2058 C CE2 . TRP B 1 156 ? 92.199 44.676 20.232 1.00 38.02 ? 180 TRP B CE2 1 ATOM 2059 C CE3 . TRP B 1 156 ? 91.935 46.973 20.929 1.00 46.51 ? 180 TRP B CE3 1 ATOM 2060 C CZ2 . TRP B 1 156 ? 93.468 44.600 20.798 1.00 42.26 ? 180 TRP B CZ2 1 ATOM 2061 C CZ3 . TRP B 1 156 ? 93.197 46.895 21.492 1.00 48.21 ? 180 TRP B CZ3 1 ATOM 2062 C CH2 . TRP B 1 156 ? 93.948 45.718 21.423 1.00 45.42 ? 180 TRP B CH2 1 ATOM 2063 N N . LYS B 1 157 ? 86.916 45.548 22.328 1.00 40.49 ? 181 LYS B N 1 ATOM 2064 C CA . LYS B 1 157 ? 86.202 44.423 22.922 1.00 41.54 ? 181 LYS B CA 1 ATOM 2065 C C . LYS B 1 157 ? 85.051 43.953 22.033 1.00 39.44 ? 181 LYS B C 1 ATOM 2066 O O . LYS B 1 157 ? 84.459 44.750 21.308 1.00 37.55 ? 181 LYS B O 1 ATOM 2067 C CB . LYS B 1 157 ? 85.678 44.815 24.305 1.00 47.22 ? 181 LYS B CB 1 ATOM 2068 C CG . LYS B 1 157 ? 84.994 43.695 25.066 1.00 48.17 ? 181 LYS B CG 1 ATOM 2069 C CD . LYS B 1 157 ? 84.579 44.157 26.453 1.00 54.00 ? 181 LYS B CD 1 ATOM 2070 C CE . LYS B 1 157 ? 83.855 43.062 27.215 1.00 59.25 ? 181 LYS B CE 1 ATOM 2071 N NZ . LYS B 1 157 ? 83.263 43.566 28.486 1.00 64.88 ? 181 LYS B NZ 1 ATOM 2072 N N . TYR B 1 158 ? 84.757 42.655 22.116 1.00 34.06 ? 182 TYR B N 1 ATOM 2073 C CA . TYR B 1 158 ? 83.728 41.968 21.321 1.00 31.85 ? 182 TYR B CA 1 ATOM 2074 C C . TYR B 1 158 ? 84.158 41.724 19.871 1.00 33.68 ? 182 TYR B C 1 ATOM 2075 O O . TYR B 1 158 ? 83.400 41.154 19.088 1.00 28.00 ? 182 TYR B O 1 ATOM 2076 C CB . TYR B 1 158 ? 82.401 42.738 21.324 1.00 36.92 ? 182 TYR B CB 1 ATOM 2077 C CG . TYR B 1 158 ? 81.807 42.954 22.695 1.00 44.55 ? 182 TYR B CG 1 ATOM 2078 C CD1 . TYR B 1 158 ? 81.324 41.886 23.436 1.00 41.81 ? 182 TYR B CD1 1 ATOM 2079 C CD2 . TYR B 1 158 ? 81.718 44.226 23.244 1.00 47.22 ? 182 TYR B CD2 1 ATOM 2080 C CE1 . TYR B 1 158 ? 80.779 42.072 24.685 1.00 42.24 ? 182 TYR B CE1 1 ATOM 2081 C CE2 . TYR B 1 158 ? 81.173 44.424 24.495 1.00 51.57 ? 182 TYR B CE2 1 ATOM 2082 C CZ . TYR B 1 158 ? 80.704 43.344 25.213 1.00 55.05 ? 182 TYR B CZ 1 ATOM 2083 O OH . TYR B 1 158 ? 80.158 43.539 26.464 1.00 65.52 ? 182 TYR B OH 1 ATOM 2084 N N . SER B 1 159 ? 85.372 42.133 19.516 1.00 33.00 ? 183 SER B N 1 ATOM 2085 C CA . SER B 1 159 ? 85.881 41.897 18.168 1.00 34.71 ? 183 SER B CA 1 ATOM 2086 C C . SER B 1 159 ? 86.123 40.410 17.922 1.00 31.78 ? 183 SER B C 1 ATOM 2087 O O . SER B 1 159 ? 86.431 39.665 18.849 1.00 25.89 ? 183 SER B O 1 ATOM 2088 C CB . SER B 1 159 ? 87.171 42.685 17.934 1.00 32.22 ? 183 SER B CB 1 ATOM 2089 O OG . SER B 1 159 ? 86.925 44.079 17.967 1.00 33.14 ? 183 SER B OG 1 ATOM 2090 N N . THR B 1 160 ? 85.979 39.989 16.667 1.00 31.89 ? 184 THR B N 1 ATOM 2091 C CA . THR B 1 160 ? 86.130 38.584 16.293 1.00 28.23 ? 184 THR B CA 1 ATOM 2092 C C . THR B 1 160 ? 86.966 38.402 15.028 1.00 26.96 ? 184 THR B C 1 ATOM 2093 O O . THR B 1 160 ? 86.952 39.240 14.128 1.00 22.99 ? 184 THR B O 1 ATOM 2094 C CB . THR B 1 160 ? 84.761 37.919 16.071 1.00 24.79 ? 184 THR B CB 1 ATOM 2095 O OG1 . THR B 1 160 ? 84.113 38.527 14.948 1.00 27.80 ? 184 THR B OG1 1 ATOM 2096 C CG2 . THR B 1 160 ? 83.879 38.084 17.293 1.00 26.88 ? 184 THR B CG2 1 ATOM 2097 N N . PHE B 1 161 ? 87.712 37.302 14.995 1.00 28.72 ? 185 PHE B N 1 ATOM 2098 C CA . PHE B 1 161 ? 88.516 36.913 13.842 1.00 20.78 ? 185 PHE B CA 1 ATOM 2099 C C . PHE B 1 161 ? 88.537 35.395 13.754 1.00 37.21 ? 185 PHE B C 1 ATOM 2100 O O . PHE B 1 161 ? 88.986 34.725 14.685 1.00 39.83 ? 185 PHE B O 1 ATOM 2101 C CB . PHE B 1 161 ? 89.936 37.470 13.967 1.00 41.47 ? 185 PHE B CB 1 ATOM 2102 C CG . PHE B 1 161 ? 90.834 37.158 12.799 1.00 31.37 ? 185 PHE B CG 1 ATOM 2103 C CD1 . PHE B 1 161 ? 90.316 36.885 11.543 1.00 34.17 ? 185 PHE B CD1 1 ATOM 2104 C CD2 . PHE B 1 161 ? 92.209 37.142 12.967 1.00 20.43 ? 185 PHE B CD2 1 ATOM 2105 C CE1 . PHE B 1 161 ? 91.157 36.602 10.479 1.00 19.27 ? 185 PHE B CE1 1 ATOM 2106 C CE2 . PHE B 1 161 ? 93.050 36.861 11.909 1.00 40.61 ? 185 PHE B CE2 1 ATOM 2107 C CZ . PHE B 1 161 ? 92.524 36.591 10.664 1.00 19.58 ? 185 PHE B CZ 1 ATOM 2108 N N . SER B 1 162 ? 88.062 34.853 12.640 1.00 27.01 ? 186 SER B N 1 ATOM 2109 C CA . SER B 1 162 ? 87.972 33.407 12.483 1.00 24.54 ? 186 SER B CA 1 ATOM 2110 C C . SER B 1 162 ? 88.261 32.997 11.053 1.00 25.71 ? 186 SER B C 1 ATOM 2111 O O . SER B 1 162 ? 88.194 33.813 10.134 1.00 24.99 ? 186 SER B O 1 ATOM 2112 C CB . SER B 1 162 ? 86.588 32.905 12.895 1.00 30.91 ? 186 SER B CB 1 ATOM 2113 O OG . SER B 1 162 ? 85.566 33.608 12.210 1.00 33.43 ? 186 SER B OG 1 ATOM 2114 N N . GLY B 1 163 ? 88.593 31.724 10.876 1.00 28.86 ? 187 GLY B N 1 ATOM 2115 C CA . GLY B 1 163 ? 88.868 31.184 9.562 1.00 29.40 ? 187 GLY B CA 1 ATOM 2116 C C . GLY B 1 163 ? 89.029 29.680 9.601 1.00 30.84 ? 187 GLY B C 1 ATOM 2117 O O . GLY B 1 163 ? 89.259 29.096 10.660 1.00 33.12 ? 187 GLY B O 1 ATOM 2118 N N . PHE B 1 164 ? 88.898 29.049 8.440 1.00 29.40 ? 188 PHE B N 1 ATOM 2119 C CA . PHE B 1 164 ? 89.031 27.603 8.339 1.00 28.69 ? 188 PHE B CA 1 ATOM 2120 C C . PHE B 1 164 ? 89.339 27.178 6.909 1.00 30.22 ? 188 PHE B C 1 ATOM 2121 O O . PHE B 1 164 ? 89.065 27.913 5.962 1.00 33.25 ? 188 PHE B O 1 ATOM 2122 C CB . PHE B 1 164 ? 87.758 26.910 8.832 1.00 26.37 ? 188 PHE B CB 1 ATOM 2123 C CG . PHE B 1 164 ? 86.542 27.213 8.006 1.00 30.74 ? 188 PHE B CG 1 ATOM 2124 C CD1 . PHE B 1 164 ? 85.755 28.317 8.287 1.00 32.90 ? 188 PHE B CD1 1 ATOM 2125 C CD2 . PHE B 1 164 ? 86.185 26.397 6.947 1.00 31.60 ? 188 PHE B CD2 1 ATOM 2126 C CE1 . PHE B 1 164 ? 84.635 28.598 7.531 1.00 32.47 ? 188 PHE B CE1 1 ATOM 2127 C CE2 . PHE B 1 164 ? 85.066 26.674 6.187 1.00 31.59 ? 188 PHE B CE2 1 ATOM 2128 C CZ . PHE B 1 164 ? 84.291 27.776 6.478 1.00 31.21 ? 188 PHE B CZ 1 ATOM 2129 N N . LEU B 1 165 ? 89.921 25.992 6.765 1.00 34.27 ? 189 LEU B N 1 ATOM 2130 C CA . LEU B 1 165 ? 90.189 25.418 5.453 1.00 34.12 ? 189 LEU B CA 1 ATOM 2131 C C . LEU B 1 165 ? 88.904 24.877 4.847 1.00 37.22 ? 189 LEU B C 1 ATOM 2132 O O . LEU B 1 165 ? 88.301 23.948 5.381 1.00 45.36 ? 189 LEU B O 1 ATOM 2133 C CB . LEU B 1 165 ? 91.235 24.304 5.559 1.00 39.04 ? 189 LEU B CB 1 ATOM 2134 C CG . LEU B 1 165 ? 91.527 23.504 4.286 1.00 42.78 ? 189 LEU B CG 1 ATOM 2135 C CD1 . LEU B 1 165 ? 92.200 24.364 3.227 1.00 45.49 ? 189 LEU B CD1 1 ATOM 2136 C CD2 . LEU B 1 165 ? 92.389 22.299 4.617 1.00 41.61 ? 189 LEU B CD2 1 ATOM 2137 N N . VAL B 1 166 ? 88.489 25.462 3.729 1.00 37.21 ? 190 VAL B N 1 ATOM 2138 C CA . VAL B 1 166 ? 87.280 25.026 3.041 1.00 37.26 ? 190 VAL B CA 1 ATOM 2139 C C . VAL B 1 166 ? 87.545 23.684 2.375 1.00 40.99 ? 190 VAL B C 1 ATOM 2140 O O . VAL B 1 166 ? 86.823 22.712 2.599 1.00 43.79 ? 190 VAL B O 1 ATOM 2141 C CB . VAL B 1 166 ? 86.819 26.052 1.990 1.00 38.73 ? 190 VAL B CB 1 ATOM 2142 C CG1 . VAL B 1 166 ? 85.496 25.628 1.371 1.00 39.96 ? 190 VAL B CG1 1 ATOM 2143 C CG2 . VAL B 1 166 ? 86.687 27.433 2.618 1.00 36.99 ? 190 VAL B CG2 1 ATOM 2144 N N . PHE B 1 167 ? 88.586 23.639 1.553 1.00 43.54 ? 191 PHE B N 1 ATOM 2145 C CA . PHE B 1 167 ? 89.074 22.379 1.010 1.00 45.35 ? 191 PHE B CA 1 ATOM 2146 C C . PHE B 1 167 ? 90.521 22.537 0.552 1.00 46.04 ? 191 PHE B C 1 ATOM 2147 O O . PHE B 1 167 ? 90.924 23.623 0.135 1.00 46.28 ? 191 PHE B O 1 ATOM 2148 C CB . PHE B 1 167 ? 88.192 21.895 -0.146 1.00 44.84 ? 191 PHE B CB 1 ATOM 2149 C CG . PHE B 1 167 ? 87.932 22.936 -1.200 1.00 43.52 ? 191 PHE B CG 1 ATOM 2150 C CD1 . PHE B 1 167 ? 88.900 23.253 -2.140 1.00 45.26 ? 191 PHE B CD1 1 ATOM 2151 C CD2 . PHE B 1 167 ? 86.710 23.584 -1.262 1.00 41.74 ? 191 PHE B CD2 1 ATOM 2152 C CE1 . PHE B 1 167 ? 88.657 24.206 -3.114 1.00 45.24 ? 191 PHE B CE1 1 ATOM 2153 C CE2 . PHE B 1 167 ? 86.461 24.537 -2.232 1.00 41.90 ? 191 PHE B CE2 1 ATOM 2154 C CZ . PHE B 1 167 ? 87.435 24.849 -3.159 1.00 43.38 ? 191 PHE B CZ 1 ATOM 2155 N N . PRO B 1 168 ? 91.313 21.458 0.642 1.00 45.57 ? 192 PRO B N 1 ATOM 2156 C CA . PRO B 1 168 ? 92.713 21.533 0.217 1.00 43.26 ? 192 PRO B CA 1 ATOM 2157 C C . PRO B 1 168 ? 92.857 21.453 -1.298 1.00 42.25 ? 192 PRO B C 1 ATOM 2158 O O . PRO B 1 168 ? 91.875 21.200 -1.993 1.00 40.99 ? 192 PRO B O 1 ATOM 2159 C CB . PRO B 1 168 ? 93.348 20.321 0.897 1.00 46.47 ? 192 PRO B CB 1 ATOM 2160 C CG . PRO B 1 168 ? 92.243 19.341 1.010 1.00 49.27 ? 192 PRO B CG 1 ATOM 2161 C CD . PRO B 1 168 ? 90.979 20.134 1.198 1.00 47.57 ? 192 PRO B CD 1 ATOM 2162 N N . LEU B 1 169 ? 94.073 21.664 -1.792 1.00 44.85 ? 193 LEU B N 1 ATOM 2163 C CA . LEU B 1 169 ? 94.357 21.590 -3.220 1.00 50.73 ? 193 LEU B CA 1 ATOM 2164 C C . LEU B 1 169 ? 95.660 20.841 -3.450 1.00 56.60 ? 193 LEU B C 1 ATOM 2165 O O . LEU B 1 169 ? 96.562 20.872 -2.613 1.00 57.00 ? 193 LEU B O 1 ATOM 2166 C CB . LEU B 1 169 ? 94.440 22.987 -3.839 1.00 48.08 ? 193 LEU B CB 1 ATOM 2167 C CG . LEU B 1 169 ? 93.196 23.873 -3.761 1.00 43.28 ? 193 LEU B CG 1 ATOM 2168 C CD1 . LEU B 1 169 ? 93.540 25.280 -4.216 1.00 45.01 ? 193 LEU B CD1 1 ATOM 2169 C CD2 . LEU B 1 169 ? 92.065 23.310 -4.596 1.00 40.31 ? 193 LEU B CD2 1 ATOM 2170 N N . GLY B 1 170 ? 95.751 20.183 -4.600 1.00 63.65 ? 194 GLY B N 1 ATOM 2171 C CA . GLY B 1 170 ? 96.928 19.420 -4.968 1.00 73.53 ? 194 GLY B CA 1 ATOM 2172 C C . GLY B 1 170 ? 97.848 20.237 -5.849 1.00 79.47 ? 194 GLY B C 1 ATOM 2173 O O . GLY B 1 170 ? 97.533 21.375 -6.197 1.00 83.34 ? 194 GLY B O 1 ATOM 2174 N N . THR B 1 171 ? 98.986 19.657 -6.215 1.00 79.20 ? 195 THR B N 1 ATOM 2175 C CA . THR B 1 171 ? 99.978 20.362 -7.018 1.00 77.93 ? 195 THR B CA 1 ATOM 2176 C C . THR B 1 171 ? 99.545 20.558 -8.473 1.00 85.79 ? 195 THR B C 1 ATOM 2177 O O . THR B 1 171 ? 100.328 21.042 -9.291 1.00 84.26 ? 195 THR B O 1 ATOM 2178 C CB . THR B 1 171 ? 101.320 19.611 -7.017 1.00 79.26 ? 195 THR B CB 1 ATOM 2179 O OG1 . THR B 1 171 ? 101.123 18.278 -7.502 1.00 85.64 ? 195 THR B OG1 1 ATOM 2180 C CG2 . THR B 1 171 ? 101.907 19.555 -5.616 1.00 74.61 ? 195 THR B CG2 1 ATOM 2181 N N . LYS B 1 172 ? 98.307 20.193 -8.798 1.00 92.66 ? 196 LYS B N 1 ATOM 2182 C CA . LYS B 1 172 ? 97.784 20.423 -10.142 1.00 103.64 ? 196 LYS B CA 1 ATOM 2183 C C . LYS B 1 172 ? 97.374 21.888 -10.299 1.00 99.99 ? 196 LYS B C 1 ATOM 2184 O O . LYS B 1 172 ? 97.414 22.442 -11.398 1.00 96.76 ? 196 LYS B O 1 ATOM 2185 C CB . LYS B 1 172 ? 96.599 19.486 -10.445 1.00 112.79 ? 196 LYS B CB 1 ATOM 2186 C CG . LYS B 1 172 ? 95.233 19.906 -9.878 1.00 121.65 ? 196 LYS B CG 1 ATOM 2187 C CD . LYS B 1 172 ? 94.079 19.553 -10.826 1.00 136.06 ? 196 LYS B CD 1 ATOM 2188 C CE . LYS B 1 172 ? 93.619 18.101 -10.714 1.00 151.62 ? 196 LYS B CE 1 ATOM 2189 N NZ . LYS B 1 172 ? 93.408 17.655 -9.307 1.00 158.31 ? 196 LYS B NZ 1 ATOM 2190 N N . HIS B 1 173 ? 96.975 22.505 -9.190 1.00 100.47 ? 197 HIS B N 1 ATOM 2191 C CA . HIS B 1 173 ? 96.554 23.902 -9.192 1.00 98.94 ? 197 HIS B CA 1 ATOM 2192 C C . HIS B 1 173 ? 97.766 24.820 -9.125 1.00 93.96 ? 197 HIS B C 1 ATOM 2193 O O . HIS B 1 173 ? 98.707 24.566 -8.372 1.00 90.99 ? 197 HIS B O 1 ATOM 2194 C CB . HIS B 1 173 ? 95.613 24.189 -8.019 1.00 97.31 ? 197 HIS B CB 1 ATOM 2195 C CG . HIS B 1 173 ? 94.328 23.421 -8.072 1.00 99.39 ? 197 HIS B CG 1 ATOM 2196 N ND1 . HIS B 1 173 ? 93.212 23.883 -8.736 1.00 99.41 ? 197 HIS B ND1 1 ATOM 2197 C CD2 . HIS B 1 173 ? 93.982 22.223 -7.542 1.00 100.53 ? 197 HIS B CD2 1 ATOM 2198 C CE1 . HIS B 1 173 ? 92.234 23.002 -8.614 1.00 100.53 ? 197 HIS B CE1 1 ATOM 2199 N NE2 . HIS B 1 173 ? 92.675 21.987 -7.895 1.00 101.08 ? 197 HIS B NE2 1 ATOM 2200 N N . HIS B 1 174 ? 97.740 25.887 -9.915 1.00 94.41 ? 198 HIS B N 1 ATOM 2201 C CA . HIS B 1 174 ? 98.824 26.859 -9.914 1.00 97.26 ? 198 HIS B CA 1 ATOM 2202 C C . HIS B 1 174 ? 98.799 27.669 -8.623 1.00 100.20 ? 198 HIS B C 1 ATOM 2203 O O . HIS B 1 174 ? 97.792 27.688 -7.914 1.00 99.63 ? 198 HIS B O 1 ATOM 2204 C CB . HIS B 1 174 ? 98.719 27.787 -11.125 1.00 98.16 ? 198 HIS B CB 1 ATOM 2205 C CG . HIS B 1 174 ? 98.835 27.081 -12.440 1.00 104.67 ? 198 HIS B CG 1 ATOM 2206 N ND1 . HIS B 1 174 ? 99.144 25.741 -12.541 1.00 108.55 ? 198 HIS B ND1 1 ATOM 2207 C CD2 . HIS B 1 174 ? 98.683 27.528 -13.709 1.00 108.26 ? 198 HIS B CD2 1 ATOM 2208 C CE1 . HIS B 1 174 ? 99.178 25.394 -13.816 1.00 113.74 ? 198 HIS B CE1 1 ATOM 2209 N NE2 . HIS B 1 174 ? 98.902 26.460 -14.545 1.00 113.93 ? 198 HIS B NE2 1 ATOM 2210 N N . HIS B 1 175 ? 99.910 28.332 -8.320 1.00 105.81 ? 199 HIS B N 1 ATOM 2211 C CA . HIS B 1 175 ? 100.001 29.162 -7.125 1.00 111.29 ? 199 HIS B CA 1 ATOM 2212 C C . HIS B 1 175 ? 99.237 30.468 -7.318 1.00 114.61 ? 199 HIS B C 1 ATOM 2213 O O . HIS B 1 175 ? 99.164 30.998 -8.426 1.00 119.99 ? 199 HIS B O 1 ATOM 2214 C CB . HIS B 1 175 ? 101.463 29.451 -6.780 1.00 118.00 ? 199 HIS B CB 1 ATOM 2215 C CG . HIS B 1 175 ? 102.209 28.259 -6.264 1.00 128.20 ? 199 HIS B CG 1 ATOM 2216 N ND1 . HIS B 1 175 ? 103.173 28.352 -5.285 1.00 132.14 ? 199 HIS B ND1 1 ATOM 2217 C CD2 . HIS B 1 175 ? 102.131 26.948 -6.594 1.00 135.61 ? 199 HIS B CD2 1 ATOM 2218 C CE1 . HIS B 1 175 ? 103.657 27.149 -5.031 1.00 137.27 ? 199 HIS B CE1 1 ATOM 2219 N NE2 . HIS B 1 175 ? 103.042 26.279 -5.812 1.00 139.66 ? 199 HIS B NE2 1 ATOM 2220 N N . HIS B 1 176 ? 98.669 30.982 -6.232 1.00 111.62 ? 200 HIS B N 1 ATOM 2221 C CA . HIS B 1 176 ? 97.863 32.195 -6.297 1.00 105.32 ? 200 HIS B CA 1 ATOM 2222 C C . HIS B 1 176 ? 98.728 33.415 -6.579 1.00 97.93 ? 200 HIS B C 1 ATOM 2223 O O . HIS B 1 176 ? 99.928 33.418 -6.303 1.00 92.55 ? 200 HIS B O 1 ATOM 2224 C CB . HIS B 1 176 ? 97.095 32.401 -4.992 1.00 103.43 ? 200 HIS B CB 1 ATOM 2225 C CG . HIS B 1 176 ? 97.926 32.978 -3.887 1.00 98.45 ? 200 HIS B CG 1 ATOM 2226 N ND1 . HIS B 1 176 ? 98.683 32.199 -3.040 1.00 94.58 ? 200 HIS B ND1 1 ATOM 2227 C CD2 . HIS B 1 176 ? 98.118 34.260 -3.495 1.00 93.57 ? 200 HIS B CD2 1 ATOM 2228 C CE1 . HIS B 1 176 ? 99.306 32.976 -2.171 1.00 90.21 ? 200 HIS B CE1 1 ATOM 2229 N NE2 . HIS B 1 176 ? 98.981 34.230 -2.426 1.00 89.24 ? 200 HIS B NE2 1 ATOM 2230 N N . HIS B 1 177 ? 98.103 34.449 -7.134 1.00 98.13 ? 201 HIS B N 1 ATOM 2231 C CA . HIS B 1 177 ? 98.766 35.725 -7.357 1.00 97.38 ? 201 HIS B CA 1 ATOM 2232 C C . HIS B 1 177 ? 98.371 36.700 -6.260 1.00 96.26 ? 201 HIS B C 1 ATOM 2233 O O . HIS B 1 177 ? 97.222 37.136 -6.192 1.00 98.10 ? 201 HIS B O 1 ATOM 2234 C CB . HIS B 1 177 ? 98.397 36.309 -8.721 1.00 98.20 ? 201 HIS B CB 1 ATOM 2235 C CG . HIS B 1 177 ? 98.593 35.362 -9.864 1.00 100.17 ? 201 HIS B CG 1 ATOM 2236 N ND1 . HIS B 1 177 ? 99.340 34.208 -9.759 1.00 100.47 ? 201 HIS B ND1 1 ATOM 2237 C CD2 . HIS B 1 177 ? 98.139 35.402 -11.139 1.00 100.90 ? 201 HIS B CD2 1 ATOM 2238 C CE1 . HIS B 1 177 ? 99.336 33.577 -10.920 1.00 102.88 ? 201 HIS B CE1 1 ATOM 2239 N NE2 . HIS B 1 177 ? 98.614 34.280 -11.774 1.00 103.56 ? 201 HIS B NE2 1 ATOM 2240 N N . HIS B 1 178 ? 99.316 37.027 -5.389 1.00 92.61 ? 202 HIS B N 1 ATOM 2241 C CA . HIS B 1 178 ? 99.093 38.078 -4.411 1.00 84.90 ? 202 HIS B CA 1 ATOM 2242 C C . HIS B 1 178 ? 100.412 38.599 -3.865 1.00 81.84 ? 202 HIS B C 1 ATOM 2243 O O . HIS B 1 178 ? 100.519 39.773 -3.521 1.00 79.74 ? 202 HIS B O 1 ATOM 2244 C CB . HIS B 1 178 ? 98.215 37.583 -3.265 1.00 79.86 ? 202 HIS B CB 1 ATOM 2245 C CG . HIS B 1 178 ? 97.661 38.688 -2.424 1.00 73.40 ? 202 HIS B CG 1 ATOM 2246 N ND1 . HIS B 1 178 ? 98.188 39.028 -1.197 1.00 64.76 ? 202 HIS B ND1 1 ATOM 2247 C CD2 . HIS B 1 178 ? 96.638 39.548 -2.647 1.00 72.49 ? 202 HIS B CD2 1 ATOM 2248 C CE1 . HIS B 1 178 ? 97.508 40.044 -0.695 1.00 65.70 ? 202 HIS B CE1 1 ATOM 2249 N NE2 . HIS B 1 178 ? 96.562 40.378 -1.555 1.00 69.87 ? 202 HIS B NE2 1 ATOM 2250 N N . SER C 1 35 ? 83.325 15.962 -7.924 1.00 90.19 ? 59 SER C N 1 ATOM 2251 C CA . SER C 1 35 ? 84.004 17.140 -7.397 1.00 87.73 ? 59 SER C CA 1 ATOM 2252 C C . SER C 1 35 ? 83.120 17.898 -6.415 1.00 89.53 ? 59 SER C C 1 ATOM 2253 O O . SER C 1 35 ? 82.201 18.612 -6.817 1.00 89.56 ? 59 SER C O 1 ATOM 2254 C CB . SER C 1 35 ? 84.427 18.069 -8.533 1.00 82.95 ? 59 SER C CB 1 ATOM 2255 O OG . SER C 1 35 ? 85.073 19.224 -8.024 1.00 77.30 ? 59 SER C OG 1 ATOM 2256 N N . ALA C 1 36 ? 83.411 17.742 -5.127 1.00 91.36 ? 60 ALA C N 1 ATOM 2257 C CA . ALA C 1 36 ? 82.676 18.444 -4.082 1.00 86.73 ? 60 ALA C CA 1 ATOM 2258 C C . ALA C 1 36 ? 83.392 19.735 -3.704 1.00 82.48 ? 60 ALA C C 1 ATOM 2259 O O . ALA C 1 36 ? 83.029 20.394 -2.729 1.00 84.69 ? 60 ALA C O 1 ATOM 2260 C CB . ALA C 1 36 ? 82.512 17.554 -2.863 1.00 89.52 ? 60 ALA C CB 1 ATOM 2261 N N . LYS C 1 37 ? 84.407 20.092 -4.486 1.00 75.83 ? 61 LYS C N 1 ATOM 2262 C CA . LYS C 1 37 ? 85.161 21.317 -4.254 1.00 67.02 ? 61 LYS C CA 1 ATOM 2263 C C . LYS C 1 37 ? 84.657 22.408 -5.189 1.00 63.55 ? 61 LYS C C 1 ATOM 2264 O O . LYS C 1 37 ? 84.951 22.401 -6.385 1.00 67.94 ? 61 LYS C O 1 ATOM 2265 C CB . LYS C 1 37 ? 86.656 21.072 -4.469 1.00 62.41 ? 61 LYS C CB 1 ATOM 2266 C CG . LYS C 1 37 ? 87.250 20.039 -3.518 1.00 60.61 ? 61 LYS C CG 1 ATOM 2267 C CD . LYS C 1 37 ? 88.693 19.707 -3.869 1.00 59.78 ? 61 LYS C CD 1 ATOM 2268 C CE . LYS C 1 37 ? 89.322 18.793 -2.827 1.00 59.12 ? 61 LYS C CE 1 ATOM 2269 N NZ . LYS C 1 37 ? 90.803 18.743 -2.943 1.00 57.29 ? 61 LYS C NZ 1 ATOM 2270 N N . VAL C 1 38 ? 83.895 23.343 -4.633 1.00 56.33 ? 62 VAL C N 1 ATOM 2271 C CA . VAL C 1 38 ? 83.340 24.449 -5.403 1.00 49.09 ? 62 VAL C CA 1 ATOM 2272 C C . VAL C 1 38 ? 83.341 25.709 -4.549 1.00 43.62 ? 62 VAL C C 1 ATOM 2273 O O . VAL C 1 38 ? 82.757 25.736 -3.465 1.00 40.19 ? 62 VAL C O 1 ATOM 2274 C CB . VAL C 1 38 ? 81.905 24.141 -5.885 1.00 45.78 ? 62 VAL C CB 1 ATOM 2275 C CG1 . VAL C 1 38 ? 81.311 25.332 -6.623 1.00 43.44 ? 62 VAL C CG1 1 ATOM 2276 C CG2 . VAL C 1 38 ? 81.895 22.913 -6.778 1.00 51.85 ? 62 VAL C CG2 1 ATOM 2277 N N . ALA C 1 39 ? 83.995 26.753 -5.045 1.00 38.15 ? 63 ALA C N 1 ATOM 2278 C CA . ALA C 1 39 ? 84.106 28.001 -4.305 1.00 34.25 ? 63 ALA C CA 1 ATOM 2279 C C . ALA C 1 39 ? 84.510 29.142 -5.224 1.00 38.60 ? 63 ALA C C 1 ATOM 2280 O O . ALA C 1 39 ? 85.250 28.939 -6.188 1.00 42.70 ? 63 ALA C O 1 ATOM 2281 C CB . ALA C 1 39 ? 85.110 27.856 -3.178 1.00 31.44 ? 63 ALA C CB 1 ATOM 2282 N N . PHE C 1 40 ? 84.020 30.340 -4.919 1.00 37.27 ? 64 PHE C N 1 ATOM 2283 C CA . PHE C 1 40 ? 84.366 31.530 -5.687 1.00 40.60 ? 64 PHE C CA 1 ATOM 2284 C C . PHE C 1 40 ? 84.486 32.746 -4.780 1.00 41.48 ? 64 PHE C C 1 ATOM 2285 O O . PHE C 1 40 ? 83.884 32.799 -3.708 1.00 43.29 ? 64 PHE C O 1 ATOM 2286 C CB . PHE C 1 40 ? 83.325 31.797 -6.771 1.00 42.90 ? 64 PHE C CB 1 ATOM 2287 C CG . PHE C 1 40 ? 82.072 32.442 -6.257 1.00 46.14 ? 64 PHE C CG 1 ATOM 2288 C CD1 . PHE C 1 40 ? 81.052 31.676 -5.723 1.00 50.28 ? 64 PHE C CD1 1 ATOM 2289 C CD2 . PHE C 1 40 ? 81.914 33.816 -6.309 1.00 48.07 ? 64 PHE C CD2 1 ATOM 2290 C CE1 . PHE C 1 40 ? 79.898 32.268 -5.250 1.00 51.69 ? 64 PHE C CE1 1 ATOM 2291 C CE2 . PHE C 1 40 ? 80.765 34.414 -5.836 1.00 48.31 ? 64 PHE C CE2 1 ATOM 2292 C CZ . PHE C 1 40 ? 79.756 33.640 -5.307 1.00 50.77 ? 64 PHE C CZ 1 ATOM 2293 N N . SER C 1 41 ? 85.258 33.729 -5.230 1.00 39.43 ? 65 SER C N 1 ATOM 2294 C CA . SER C 1 41 ? 85.470 34.955 -4.474 1.00 33.86 ? 65 SER C CA 1 ATOM 2295 C C . SER C 1 41 ? 85.796 36.097 -5.425 1.00 30.46 ? 65 SER C C 1 ATOM 2296 O O . SER C 1 41 ? 86.706 35.987 -6.248 1.00 33.77 ? 65 SER C O 1 ATOM 2297 C CB . SER C 1 41 ? 86.599 34.768 -3.461 1.00 34.56 ? 65 SER C CB 1 ATOM 2298 O OG . SER C 1 41 ? 86.406 35.592 -2.328 1.00 39.50 ? 65 SER C OG 1 ATOM 2299 N N . ALA C 1 42 ? 85.043 37.186 -5.316 1.00 28.68 ? 66 ALA C N 1 ATOM 2300 C CA . ALA C 1 42 ? 85.214 38.330 -6.206 1.00 32.24 ? 66 ALA C CA 1 ATOM 2301 C C . ALA C 1 42 ? 85.172 39.633 -5.426 1.00 32.50 ? 66 ALA C C 1 ATOM 2302 O O . ALA C 1 42 ? 84.518 39.720 -4.386 1.00 37.47 ? 66 ALA C O 1 ATOM 2303 C CB . ALA C 1 42 ? 84.142 38.326 -7.283 1.00 32.47 ? 66 ALA C CB 1 ATOM 2304 N N . ILE C 1 43 ? 85.881 40.639 -5.928 1.00 30.69 ? 67 ILE C N 1 ATOM 2305 C CA . ILE C 1 43 ? 85.910 41.949 -5.290 1.00 29.87 ? 67 ILE C CA 1 ATOM 2306 C C . ILE C 1 43 ? 85.804 43.073 -6.316 1.00 31.67 ? 67 ILE C C 1 ATOM 2307 O O . ILE C 1 43 ? 86.188 42.912 -7.476 1.00 34.66 ? 67 ILE C O 1 ATOM 2308 C CB . ILE C 1 43 ? 87.199 42.143 -4.455 1.00 30.32 ? 67 ILE C CB 1 ATOM 2309 C CG1 . ILE C 1 43 ? 88.418 42.288 -5.374 1.00 37.64 ? 67 ILE C CG1 1 ATOM 2310 C CG2 . ILE C 1 43 ? 87.380 40.978 -3.488 1.00 31.97 ? 67 ILE C CG2 1 ATOM 2311 C CD1 . ILE C 1 43 ? 89.731 42.488 -4.642 1.00 46.63 ? 67 ILE C CD1 1 ATOM 2312 N N . ARG C 1 44 ? 85.285 44.214 -5.873 1.00 33.13 ? 68 ARG C N 1 ATOM 2313 C CA . ARG C 1 44 ? 85.284 45.429 -6.674 1.00 37.68 ? 68 ARG C CA 1 ATOM 2314 C C . ARG C 1 44 ? 86.503 46.244 -6.270 1.00 42.93 ? 68 ARG C C 1 ATOM 2315 O O . ARG C 1 44 ? 86.564 46.778 -5.161 1.00 43.69 ? 68 ARG C O 1 ATOM 2316 C CB . ARG C 1 44 ? 83.999 46.233 -6.470 1.00 36.89 ? 68 ARG C CB 1 ATOM 2317 C CG . ARG C 1 44 ? 83.918 47.486 -7.332 1.00 40.75 ? 68 ARG C CG 1 ATOM 2318 C CD . ARG C 1 44 ? 83.840 47.129 -8.804 1.00 42.76 ? 68 ARG C CD 1 ATOM 2319 N NE . ARG C 1 44 ? 83.558 48.286 -9.646 1.00 49.29 ? 68 ARG C NE 1 ATOM 2320 C CZ . ARG C 1 44 ? 83.533 48.250 -10.975 1.00 53.58 ? 68 ARG C CZ 1 ATOM 2321 N NH1 . ARG C 1 44 ? 83.774 47.114 -11.615 1.00 53.07 ? 68 ARG C NH1 1 ATOM 2322 N NH2 . ARG C 1 44 ? 83.270 49.350 -11.666 1.00 60.09 ? 68 ARG C NH2 1 ATOM 2323 N N . SER C 1 45 ? 87.473 46.334 -7.171 1.00 43.78 ? 69 SER C N 1 ATOM 2324 C CA . SER C 1 45 ? 88.779 46.881 -6.831 1.00 43.61 ? 69 SER C CA 1 ATOM 2325 C C . SER C 1 45 ? 88.982 48.335 -7.249 1.00 46.72 ? 69 SER C C 1 ATOM 2326 O O . SER C 1 45 ? 90.086 48.858 -7.118 1.00 47.19 ? 69 SER C O 1 ATOM 2327 C CB . SER C 1 45 ? 89.868 46.024 -7.474 1.00 44.85 ? 69 SER C CB 1 ATOM 2328 O OG . SER C 1 45 ? 89.769 46.065 -8.887 1.00 45.49 ? 69 SER C OG 1 ATOM 2329 N N . THR C 1 46 ? 87.933 48.986 -7.747 1.00 50.59 ? 70 THR C N 1 ATOM 2330 C CA . THR C 1 46 ? 88.074 50.337 -8.290 1.00 52.06 ? 70 THR C CA 1 ATOM 2331 C C . THR C 1 46 ? 86.877 51.250 -8.028 1.00 53.20 ? 70 THR C C 1 ATOM 2332 O O . THR C 1 46 ? 85.750 50.792 -7.834 1.00 57.14 ? 70 THR C O 1 ATOM 2333 C CB . THR C 1 46 ? 88.296 50.298 -9.809 1.00 53.58 ? 70 THR C CB 1 ATOM 2334 O OG1 . THR C 1 46 ? 87.109 49.822 -10.451 1.00 55.82 ? 70 THR C OG1 1 ATOM 2335 C CG2 . THR C 1 46 ? 89.467 49.392 -10.169 1.00 54.31 ? 70 THR C CG2 1 ATOM 2336 N N . ASN C 1 47 ? 87.149 52.552 -8.030 1.00 53.28 ? 71 ASN C N 1 ATOM 2337 C CA . ASN C 1 47 ? 86.120 53.581 -7.901 1.00 55.41 ? 71 ASN C CA 1 ATOM 2338 C C . ASN C 1 47 ? 85.231 53.720 -9.138 1.00 58.46 ? 71 ASN C C 1 ATOM 2339 O O . ASN C 1 47 ? 84.244 54.456 -9.109 1.00 59.12 ? 71 ASN C O 1 ATOM 2340 C CB . ASN C 1 47 ? 86.768 54.932 -7.596 1.00 62.26 ? 71 ASN C CB 1 ATOM 2341 C CG . ASN C 1 47 ? 87.594 54.908 -6.329 1.00 71.56 ? 71 ASN C CG 1 ATOM 2342 O OD1 . ASN C 1 47 ? 87.065 55.074 -5.229 1.00 72.27 ? 71 ASN C OD1 1 ATOM 2343 N ND2 . ASN C 1 47 ? 88.897 54.697 -6.473 1.00 76.71 ? 71 ASN C ND2 1 ATOM 2344 N N . HIS C 1 48 ? 85.604 53.044 -10.224 1.00 58.83 ? 72 HIS C N 1 ATOM 2345 C CA . HIS C 1 48 ? 84.949 53.216 -11.522 1.00 60.34 ? 72 HIS C CA 1 ATOM 2346 C C . HIS C 1 48 ? 83.425 53.148 -11.425 1.00 59.53 ? 72 HIS C C 1 ATOM 2347 O O . HIS C 1 48 ? 82.873 52.391 -10.625 1.00 56.22 ? 72 HIS C O 1 ATOM 2348 C CB . HIS C 1 48 ? 85.454 52.164 -12.512 1.00 64.26 ? 72 HIS C CB 1 ATOM 2349 C CG . HIS C 1 48 ? 86.849 52.412 -12.993 1.00 71.82 ? 72 HIS C CG 1 ATOM 2350 N ND1 . HIS C 1 48 ? 87.946 51.772 -12.458 1.00 71.46 ? 72 HIS C ND1 1 ATOM 2351 C CD2 . HIS C 1 48 ? 87.328 53.241 -13.951 1.00 80.49 ? 72 HIS C CD2 1 ATOM 2352 C CE1 . HIS C 1 48 ? 89.039 52.191 -13.069 1.00 78.21 ? 72 HIS C CE1 1 ATOM 2353 N NE2 . HIS C 1 48 ? 88.692 53.083 -13.979 1.00 83.86 ? 72 HIS C NE2 1 ATOM 2354 N N . GLU C 1 49 ? 82.756 53.953 -12.243 1.00 58.78 ? 73 GLU C N 1 ATOM 2355 C CA . GLU C 1 49 ? 81.305 54.091 -12.180 1.00 54.83 ? 73 GLU C CA 1 ATOM 2356 C C . GLU C 1 49 ? 80.569 52.908 -12.805 1.00 54.57 ? 73 GLU C C 1 ATOM 2357 O O . GLU C 1 49 ? 81.155 52.146 -13.574 1.00 52.80 ? 73 GLU C O 1 ATOM 2358 C CB . GLU C 1 49 ? 80.876 55.383 -12.873 1.00 56.62 ? 73 GLU C CB 1 ATOM 2359 C CG . GLU C 1 49 ? 81.432 56.635 -12.222 1.00 61.16 ? 73 GLU C CG 1 ATOM 2360 C CD . GLU C 1 49 ? 80.880 56.864 -10.832 1.00 62.22 ? 73 GLU C CD 1 ATOM 2361 O OE1 . GLU C 1 49 ? 79.820 56.290 -10.511 1.00 64.66 ? 73 GLU C OE1 1 ATOM 2362 O OE2 . GLU C 1 49 ? 81.511 57.612 -10.058 1.00 61.91 ? 73 GLU C OE2 1 ATOM 2363 N N . PRO C 1 50 ? 79.275 52.753 -12.474 1.00 55.88 ? 74 PRO C N 1 ATOM 2364 C CA . PRO C 1 50 ? 78.419 51.722 -13.075 1.00 54.65 ? 74 PRO C CA 1 ATOM 2365 C C . PRO C 1 50 ? 78.298 51.835 -14.591 1.00 60.53 ? 74 PRO C C 1 ATOM 2366 O O . PRO C 1 50 ? 78.112 52.933 -15.114 1.00 67.66 ? 74 PRO C O 1 ATOM 2367 C CB . PRO C 1 50 ? 77.059 51.969 -12.417 1.00 49.77 ? 74 PRO C CB 1 ATOM 2368 C CG . PRO C 1 50 ? 77.372 52.637 -11.140 1.00 49.65 ? 74 PRO C CG 1 ATOM 2369 C CD . PRO C 1 50 ? 78.569 53.488 -11.409 1.00 53.63 ? 74 PRO C CD 1 ATOM 2370 N N . SER C 1 51 ? 78.411 50.704 -15.281 1.00 60.56 ? 75 SER C N 1 ATOM 2371 C CA . SER C 1 51 ? 78.215 50.657 -16.726 1.00 66.41 ? 75 SER C CA 1 ATOM 2372 C C . SER C 1 51 ? 76.747 50.884 -17.080 1.00 66.04 ? 75 SER C C 1 ATOM 2373 O O . SER C 1 51 ? 75.874 50.781 -16.217 1.00 60.03 ? 75 SER C O 1 ATOM 2374 C CB . SER C 1 51 ? 78.689 49.314 -17.285 1.00 70.75 ? 75 SER C CB 1 ATOM 2375 O OG . SER C 1 51 ? 78.053 48.231 -16.626 1.00 67.07 ? 75 SER C OG 1 ATOM 2376 N N . GLU C 1 52 ? 76.480 51.202 -18.345 1.00 71.83 ? 76 GLU C N 1 ATOM 2377 C CA . GLU C 1 52 ? 75.107 51.369 -18.816 1.00 79.66 ? 76 GLU C CA 1 ATOM 2378 C C . GLU C 1 52 ? 74.360 50.053 -18.663 1.00 74.51 ? 76 GLU C C 1 ATOM 2379 O O . GLU C 1 52 ? 73.144 50.030 -18.478 1.00 77.23 ? 76 GLU C O 1 ATOM 2380 C CB . GLU C 1 52 ? 75.071 51.830 -20.275 1.00 90.66 ? 76 GLU C CB 1 ATOM 2381 C CG . GLU C 1 52 ? 73.679 52.208 -20.766 1.00 97.21 ? 76 GLU C CG 1 ATOM 2382 C CD . GLU C 1 52 ? 72.971 51.066 -21.475 1.00 101.56 ? 76 GLU C CD 1 ATOM 2383 O OE1 . GLU C 1 52 ? 73.559 50.489 -22.415 1.00 102.48 ? 76 GLU C OE1 1 ATOM 2384 O OE2 . GLU C 1 52 ? 71.828 50.742 -21.088 1.00 101.39 ? 76 GLU C OE2 1 ATOM 2385 N N . MET C 1 53 ? 75.107 48.958 -18.744 1.00 66.30 ? 77 MET C N 1 ATOM 2386 C CA . MET C 1 53 ? 74.554 47.628 -18.549 1.00 60.36 ? 77 MET C CA 1 ATOM 2387 C C . MET C 1 53 ? 74.071 47.468 -17.110 1.00 58.99 ? 77 MET C C 1 ATOM 2388 O O . MET C 1 53 ? 73.025 46.869 -16.862 1.00 56.09 ? 77 MET C O 1 ATOM 2389 C CB . MET C 1 53 ? 75.604 46.572 -18.893 1.00 59.93 ? 77 MET C CB 1 ATOM 2390 C CG . MET C 1 53 ? 75.157 45.138 -18.685 1.00 61.29 ? 77 MET C CG 1 ATOM 2391 S SD . MET C 1 53 ? 76.398 43.938 -19.219 1.00 155.41 ? 77 MET C SD 1 ATOM 2392 C CE . MET C 1 53 ? 77.795 44.377 -18.183 1.00 166.42 ? 77 MET C CE 1 ATOM 2393 N N . SER C 1 54 ? 74.842 48.000 -16.165 1.00 66.02 ? 78 SER C N 1 ATOM 2394 C CA . SER C 1 54 ? 74.473 47.949 -14.753 1.00 69.83 ? 78 SER C CA 1 ATOM 2395 C C . SER C 1 54 ? 73.187 48.729 -14.520 1.00 74.60 ? 78 SER C C 1 ATOM 2396 O O . SER C 1 54 ? 72.289 48.274 -13.812 1.00 74.36 ? 78 SER C O 1 ATOM 2397 C CB . SER C 1 54 ? 75.592 48.516 -13.878 1.00 72.91 ? 78 SER C CB 1 ATOM 2398 O OG . SER C 1 54 ? 76.854 47.997 -14.259 1.00 77.31 ? 78 SER C OG 1 ATOM 2399 N N . ASN C 1 55 ? 73.113 49.911 -15.124 1.00 79.01 ? 79 ASN C N 1 ATOM 2400 C CA . ASN C 1 55 ? 71.918 50.743 -15.068 1.00 81.67 ? 79 ASN C CA 1 ATOM 2401 C C . ASN C 1 55 ? 70.714 49.986 -15.619 1.00 71.11 ? 79 ASN C C 1 ATOM 2402 O O . ASN C 1 55 ? 69.578 50.215 -15.208 1.00 66.65 ? 79 ASN C O 1 ATOM 2403 C CB . ASN C 1 55 ? 72.128 52.047 -15.852 1.00 96.49 ? 79 ASN C CB 1 ATOM 2404 C CG . ASN C 1 55 ? 72.739 53.168 -15.007 1.00 108.32 ? 79 ASN C CG 1 ATOM 2405 O OD1 . ASN C 1 55 ? 72.680 53.149 -13.776 1.00 100.75 ? 79 ASN C OD1 1 ATOM 2406 N ND2 . ASN C 1 55 ? 73.325 54.157 -15.682 1.00 124.23 ? 79 ASN C ND2 1 ATOM 2407 N N . ARG C 1 56 ? 70.982 49.086 -16.561 1.00 68.68 ? 80 ARG C N 1 ATOM 2408 C CA . ARG C 1 56 ? 69.937 48.312 -17.225 1.00 66.84 ? 80 ARG C CA 1 ATOM 2409 C C . ARG C 1 56 ? 69.520 47.070 -16.430 1.00 61.94 ? 80 ARG C C 1 ATOM 2410 O O . ARG C 1 56 ? 68.335 46.863 -16.170 1.00 61.17 ? 80 ARG C O 1 ATOM 2411 C CB . ARG C 1 56 ? 70.420 47.902 -18.621 1.00 67.51 ? 80 ARG C CB 1 ATOM 2412 C CG . ARG C 1 56 ? 69.471 48.271 -19.751 1.00 72.10 ? 80 ARG C CG 1 ATOM 2413 C CD . ARG C 1 56 ? 69.954 47.757 -21.108 1.00 78.12 ? 80 ARG C CD 1 ATOM 2414 N NE . ARG C 1 56 ? 70.608 46.449 -21.025 1.00 81.35 ? 80 ARG C NE 1 ATOM 2415 C CZ . ARG C 1 56 ? 71.893 46.212 -21.293 1.00 84.16 ? 80 ARG C CZ 1 ATOM 2416 N NH1 . ARG C 1 56 ? 72.710 47.185 -21.681 1.00 84.14 ? 80 ARG C NH1 1 ATOM 2417 N NH2 . ARG C 1 56 ? 72.367 44.979 -21.177 1.00 83.64 ? 80 ARG C NH2 1 ATOM 2418 N N . THR C 1 57 ? 70.496 46.248 -16.054 1.00 58.18 ? 81 THR C N 1 ATOM 2419 C CA . THR C 1 57 ? 70.228 44.966 -15.397 1.00 53.11 ? 81 THR C CA 1 ATOM 2420 C C . THR C 1 57 ? 70.123 45.070 -13.872 1.00 49.85 ? 81 THR C C 1 ATOM 2421 O O . THR C 1 57 ? 69.576 44.181 -13.219 1.00 44.98 ? 81 THR C O 1 ATOM 2422 C CB . THR C 1 57 ? 71.323 43.935 -15.726 1.00 54.00 ? 81 THR C CB 1 ATOM 2423 O OG1 . THR C 1 57 ? 72.561 44.336 -15.126 1.00 56.13 ? 81 THR C OG1 1 ATOM 2424 C CG2 . THR C 1 57 ? 71.504 43.805 -17.229 1.00 56.78 ? 81 THR C CG2 1 ATOM 2425 N N . MET C 1 58 ? 70.667 46.152 -13.320 1.00 48.59 ? 82 MET C N 1 ATOM 2426 C CA . MET C 1 58 ? 70.693 46.394 -11.876 1.00 44.47 ? 82 MET C CA 1 ATOM 2427 C C . MET C 1 58 ? 71.507 45.347 -11.111 1.00 38.19 ? 82 MET C C 1 ATOM 2428 O O . MET C 1 58 ? 71.357 45.203 -9.898 1.00 39.37 ? 82 MET C O 1 ATOM 2429 C CB . MET C 1 58 ? 69.272 46.452 -11.302 1.00 46.00 ? 82 MET C CB 1 ATOM 2430 C CG . MET C 1 58 ? 68.380 47.525 -11.915 1.00 49.61 ? 82 MET C CG 1 ATOM 2431 S SD . MET C 1 58 ? 69.118 49.176 -11.984 1.00 221.28 ? 82 MET C SD 1 ATOM 2432 C CE . MET C 1 58 ? 69.877 49.316 -10.366 1.00 82.73 ? 82 MET C CE 1 ATOM 2433 N N . ILE C 1 59 ? 72.370 44.625 -11.817 1.00 34.93 ? 83 ILE C N 1 ATOM 2434 C CA . ILE C 1 59 ? 73.244 43.643 -11.183 1.00 35.26 ? 83 ILE C CA 1 ATOM 2435 C C . ILE C 1 59 ? 74.547 44.305 -10.755 1.00 37.32 ? 83 ILE C C 1 ATOM 2436 O O . ILE C 1 59 ? 75.103 45.127 -11.482 1.00 44.56 ? 83 ILE C O 1 ATOM 2437 C CB . ILE C 1 59 ? 73.548 42.459 -12.125 1.00 34.13 ? 83 ILE C CB 1 ATOM 2438 C CG1 . ILE C 1 59 ? 72.269 41.664 -12.393 1.00 40.51 ? 83 ILE C CG1 1 ATOM 2439 C CG2 . ILE C 1 59 ? 74.610 41.544 -11.525 1.00 27.99 ? 83 ILE C CG2 1 ATOM 2440 C CD1 . ILE C 1 59 ? 72.403 40.625 -13.484 1.00 45.00 ? 83 ILE C CD1 1 ATOM 2441 N N . ILE C 1 60 ? 75.026 43.944 -9.570 1.00 35.22 ? 84 ILE C N 1 ATOM 2442 C CA . ILE C 1 60 ? 76.287 44.469 -9.064 1.00 33.22 ? 84 ILE C CA 1 ATOM 2443 C C . ILE C 1 60 ? 77.423 43.599 -9.588 1.00 40.99 ? 84 ILE C C 1 ATOM 2444 O O . ILE C 1 60 ? 77.465 42.395 -9.328 1.00 43.23 ? 84 ILE C O 1 ATOM 2445 C CB . ILE C 1 60 ? 76.306 44.511 -7.526 1.00 25.61 ? 84 ILE C CB 1 ATOM 2446 C CG1 . ILE C 1 60 ? 75.229 45.467 -7.016 1.00 32.45 ? 84 ILE C CG1 1 ATOM 2447 C CG2 . ILE C 1 60 ? 77.676 44.945 -7.010 1.00 23.75 ? 84 ILE C CG2 1 ATOM 2448 C CD1 . ILE C 1 60 ? 74.844 45.242 -5.575 1.00 38.78 ? 84 ILE C CD1 1 ATOM 2449 N N . TYR C 1 61 ? 78.339 44.220 -10.327 1.00 41.20 ? 85 TYR C N 1 ATOM 2450 C CA . TYR C 1 61 ? 79.420 43.498 -10.988 1.00 43.43 ? 85 TYR C CA 1 ATOM 2451 C C . TYR C 1 61 ? 80.741 43.610 -10.239 1.00 39.42 ? 85 TYR C C 1 ATOM 2452 O O . TYR C 1 61 ? 81.067 44.659 -9.682 1.00 33.28 ? 85 TYR C O 1 ATOM 2453 C CB . TYR C 1 61 ? 79.603 44.004 -12.418 1.00 52.36 ? 85 TYR C CB 1 ATOM 2454 C CG . TYR C 1 61 ? 78.403 43.765 -13.307 1.00 64.00 ? 85 TYR C CG 1 ATOM 2455 C CD1 . TYR C 1 61 ? 78.177 42.522 -13.883 1.00 67.92 ? 85 TYR C CD1 1 ATOM 2456 C CD2 . TYR C 1 61 ? 77.500 44.785 -13.575 1.00 68.40 ? 85 TYR C CD2 1 ATOM 2457 C CE1 . TYR C 1 61 ? 77.084 42.300 -14.698 1.00 72.87 ? 85 TYR C CE1 1 ATOM 2458 C CE2 . TYR C 1 61 ? 76.403 44.574 -14.390 1.00 71.61 ? 85 TYR C CE2 1 ATOM 2459 C CZ . TYR C 1 61 ? 76.200 43.329 -14.949 1.00 75.01 ? 85 TYR C CZ 1 ATOM 2460 O OH . TYR C 1 61 ? 75.110 43.111 -15.762 1.00 77.16 ? 85 TYR C OH 1 ATOM 2461 N N . PHE C 1 62 ? 81.488 42.508 -10.236 1.00 40.13 ? 86 PHE C N 1 ATOM 2462 C CA . PHE C 1 62 ? 82.792 42.435 -9.589 1.00 41.16 ? 86 PHE C CA 1 ATOM 2463 C C . PHE C 1 62 ? 83.877 42.116 -10.613 1.00 48.38 ? 86 PHE C C 1 ATOM 2464 O O . PHE C 1 62 ? 83.848 41.065 -11.254 1.00 50.46 ? 86 PHE C O 1 ATOM 2465 C CB . PHE C 1 62 ? 82.764 41.386 -8.484 1.00 36.77 ? 86 PHE C CB 1 ATOM 2466 C CG . PHE C 1 62 ? 81.748 41.668 -7.420 1.00 32.90 ? 86 PHE C CG 1 ATOM 2467 C CD1 . PHE C 1 62 ? 80.433 41.278 -7.581 1.00 23.62 ? 86 PHE C CD1 1 ATOM 2468 C CD2 . PHE C 1 62 ? 82.109 42.327 -6.260 1.00 31.83 ? 86 PHE C CD2 1 ATOM 2469 C CE1 . PHE C 1 62 ? 79.496 41.538 -6.607 1.00 22.70 ? 86 PHE C CE1 1 ATOM 2470 C CE2 . PHE C 1 62 ? 81.177 42.589 -5.281 1.00 29.77 ? 86 PHE C CE2 1 ATOM 2471 C CZ . PHE C 1 62 ? 79.867 42.196 -5.455 1.00 28.84 ? 86 PHE C CZ 1 ATOM 2472 N N . ASP C 1 63 ? 84.829 43.032 -10.760 1.00 55.50 ? 87 ASP C N 1 ATOM 2473 C CA . ASP C 1 63 ? 85.814 42.951 -11.833 1.00 62.40 ? 87 ASP C CA 1 ATOM 2474 C C . ASP C 1 63 ? 86.944 41.958 -11.561 1.00 64.13 ? 87 ASP C C 1 ATOM 2475 O O . ASP C 1 63 ? 87.401 41.275 -12.479 1.00 68.30 ? 87 ASP C O 1 ATOM 2476 C CB . ASP C 1 63 ? 86.410 44.339 -12.094 1.00 65.94 ? 87 ASP C CB 1 ATOM 2477 C CG . ASP C 1 63 ? 87.193 44.874 -10.909 1.00 67.77 ? 87 ASP C CG 1 ATOM 2478 O OD1 . ASP C 1 63 ? 88.394 44.554 -10.798 1.00 75.45 ? 87 ASP C OD1 1 ATOM 2479 O OD2 . ASP C 1 63 ? 86.610 45.614 -10.090 1.00 62.82 ? 87 ASP C OD2 1 ATOM 2480 N N . GLN C 1 64 ? 87.391 41.877 -10.310 1.00 61.87 ? 88 GLN C N 1 ATOM 2481 C CA . GLN C 1 64 ? 88.542 41.043 -9.966 1.00 66.02 ? 88 GLN C CA 1 ATOM 2482 C C . GLN C 1 64 ? 88.122 39.805 -9.179 1.00 59.97 ? 88 GLN C C 1 ATOM 2483 O O . GLN C 1 64 ? 87.460 39.912 -8.147 1.00 62.16 ? 88 GLN C O 1 ATOM 2484 C CB . GLN C 1 64 ? 89.567 41.851 -9.167 1.00 76.50 ? 88 GLN C CB 1 ATOM 2485 C CG . GLN C 1 64 ? 90.833 41.075 -8.834 1.00 86.27 ? 88 GLN C CG 1 ATOM 2486 C CD . GLN C 1 64 ? 91.919 41.951 -8.237 1.00 94.48 ? 88 GLN C CD 1 ATOM 2487 O OE1 . GLN C 1 64 ? 91.653 43.057 -7.767 1.00 93.11 ? 88 GLN C OE1 1 ATOM 2488 N NE2 . GLN C 1 64 ? 93.155 41.460 -8.260 1.00 102.73 ? 88 GLN C NE2 1 ATOM 2489 N N . VAL C 1 65 ? 88.516 38.636 -9.678 1.00 54.53 ? 89 VAL C N 1 ATOM 2490 C CA . VAL C 1 65 ? 88.179 37.359 -9.052 1.00 49.00 ? 89 VAL C CA 1 ATOM 2491 C C . VAL C 1 65 ? 89.400 36.695 -8.419 1.00 46.81 ? 89 VAL C C 1 ATOM 2492 O O . VAL C 1 65 ? 90.323 36.279 -9.120 1.00 50.11 ? 89 VAL C O 1 ATOM 2493 C CB . VAL C 1 65 ? 87.555 36.392 -10.073 1.00 47.87 ? 89 VAL C CB 1 ATOM 2494 C CG1 . VAL C 1 65 ? 87.241 35.049 -9.427 1.00 50.79 ? 89 VAL C CG1 1 ATOM 2495 C CG2 . VAL C 1 65 ? 86.300 37.003 -10.678 1.00 43.46 ? 89 VAL C CG2 1 ATOM 2496 N N . LEU C 1 66 ? 89.388 36.576 -7.095 1.00 43.60 ? 90 LEU C N 1 ATOM 2497 C CA . LEU C 1 66 ? 90.491 35.954 -6.370 1.00 43.06 ? 90 LEU C CA 1 ATOM 2498 C C . LEU C 1 66 ? 90.421 34.438 -6.449 1.00 40.10 ? 90 LEU C C 1 ATOM 2499 O O . LEU C 1 66 ? 91.449 33.763 -6.505 1.00 47.25 ? 90 LEU C O 1 ATOM 2500 C CB . LEU C 1 66 ? 90.490 36.387 -4.902 1.00 43.18 ? 90 LEU C CB 1 ATOM 2501 C CG . LEU C 1 66 ? 90.555 37.885 -4.603 1.00 43.56 ? 90 LEU C CG 1 ATOM 2502 C CD1 . LEU C 1 66 ? 90.498 38.108 -3.105 1.00 41.62 ? 90 LEU C CD1 1 ATOM 2503 C CD2 . LEU C 1 66 ? 91.820 38.497 -5.184 1.00 51.25 ? 90 LEU C CD2 1 ATOM 2504 N N . VAL C 1 67 ? 89.202 33.910 -6.446 1.00 34.40 ? 91 VAL C N 1 ATOM 2505 C CA . VAL C 1 67 ? 88.983 32.469 -6.432 1.00 34.75 ? 91 VAL C CA 1 ATOM 2506 C C . VAL C 1 67 ? 87.822 32.095 -7.345 1.00 39.88 ? 91 VAL C C 1 ATOM 2507 O O . VAL C 1 67 ? 86.805 32.788 -7.384 1.00 43.25 ? 91 VAL C O 1 ATOM 2508 C CB . VAL C 1 67 ? 88.693 31.963 -5.003 1.00 31.83 ? 91 VAL C CB 1 ATOM 2509 C CG1 . VAL C 1 67 ? 88.405 30.465 -5.003 1.00 36.60 ? 91 VAL C CG1 1 ATOM 2510 C CG2 . VAL C 1 67 ? 89.858 32.280 -4.077 1.00 29.13 ? 91 VAL C CG2 1 ATOM 2511 N N . ASN C 1 68 ? 87.979 30.997 -8.077 1.00 37.78 ? 92 ASN C N 1 ATOM 2512 C CA . ASN C 1 68 ? 86.899 30.471 -8.900 1.00 38.34 ? 92 ASN C CA 1 ATOM 2513 C C . ASN C 1 68 ? 87.117 28.998 -9.228 1.00 45.03 ? 92 ASN C C 1 ATOM 2514 O O . ASN C 1 68 ? 87.222 28.614 -10.394 1.00 51.42 ? 92 ASN C O 1 ATOM 2515 C CB . ASN C 1 68 ? 86.767 31.286 -10.188 1.00 42.15 ? 92 ASN C CB 1 ATOM 2516 C CG . ASN C 1 68 ? 85.476 30.995 -10.934 1.00 50.71 ? 92 ASN C CG 1 ATOM 2517 O OD1 . ASN C 1 68 ? 84.588 30.309 -10.422 1.00 53.21 ? 92 ASN C OD1 1 ATOM 2518 N ND2 . ASN C 1 68 ? 85.367 31.513 -12.153 1.00 54.94 ? 92 ASN C ND2 1 ATOM 2519 N N . ILE C 1 69 ? 87.183 28.175 -8.187 1.00 43.56 ? 93 ILE C N 1 ATOM 2520 C CA . ILE C 1 69 ? 87.329 26.736 -8.358 1.00 44.77 ? 93 ILE C CA 1 ATOM 2521 C C . ILE C 1 69 ? 86.066 26.164 -8.988 1.00 45.71 ? 93 ILE C C 1 ATOM 2522 O O . ILE C 1 69 ? 84.951 26.462 -8.556 1.00 44.62 ? 93 ILE C O 1 ATOM 2523 C CB . ILE C 1 69 ? 87.634 26.039 -7.010 1.00 44.60 ? 93 ILE C CB 1 ATOM 2524 C CG1 . ILE C 1 69 ? 89.142 25.984 -6.765 1.00 42.41 ? 93 ILE C CG1 1 ATOM 2525 C CG2 . ILE C 1 69 ? 87.079 24.615 -6.973 1.00 46.44 ? 93 ILE C CG2 1 ATOM 2526 C CD1 . ILE C 1 69 ? 89.861 27.306 -6.958 1.00 45.50 ? 93 ILE C CD1 1 ATOM 2527 N N . GLY C 1 70 ? 86.254 25.346 -10.019 1.00 47.40 ? 94 GLY C N 1 ATOM 2528 C CA . GLY C 1 70 ? 85.144 24.793 -10.772 1.00 51.50 ? 94 GLY C CA 1 ATOM 2529 C C . GLY C 1 70 ? 84.679 25.738 -11.863 1.00 51.84 ? 94 GLY C C 1 ATOM 2530 O O . GLY C 1 70 ? 83.835 25.375 -12.684 1.00 55.48 ? 94 GLY C O 1 ATOM 2531 N N . ASN C 1 71 ? 85.244 26.944 -11.874 1.00 52.75 ? 95 ASN C N 1 ATOM 2532 C CA . ASN C 1 71 ? 84.867 27.988 -12.823 1.00 54.71 ? 95 ASN C CA 1 ATOM 2533 C C . ASN C 1 71 ? 83.355 28.135 -12.950 1.00 51.90 ? 95 ASN C C 1 ATOM 2534 O O . ASN C 1 71 ? 82.824 28.311 -14.046 1.00 56.16 ? 95 ASN C O 1 ATOM 2535 C CB . ASN C 1 71 ? 85.485 27.703 -14.191 1.00 64.30 ? 95 ASN C CB 1 ATOM 2536 C CG . ASN C 1 71 ? 85.858 28.971 -14.933 1.00 75.01 ? 95 ASN C CG 1 ATOM 2537 O OD1 . ASN C 1 71 ? 86.994 29.438 -14.852 1.00 84.00 ? 95 ASN C OD1 1 ATOM 2538 N ND2 . ASN C 1 71 ? 84.898 29.542 -15.651 1.00 75.29 ? 95 ASN C ND2 1 ATOM 2539 N N . ASN C 1 72 ? 82.670 28.084 -11.814 1.00 49.64 ? 96 ASN C N 1 ATOM 2540 C CA . ASN C 1 72 ? 81.217 28.163 -11.791 1.00 47.09 ? 96 ASN C CA 1 ATOM 2541 C C . ASN C 1 72 ? 80.713 29.594 -11.634 1.00 44.16 ? 96 ASN C C 1 ATOM 2542 O O . ASN C 1 72 ? 79.513 29.852 -11.735 1.00 40.59 ? 96 ASN C O 1 ATOM 2543 C CB . ASN C 1 72 ? 80.673 27.292 -10.662 1.00 50.16 ? 96 ASN C CB 1 ATOM 2544 C CG . ASN C 1 72 ? 80.959 25.821 -10.880 1.00 52.93 ? 96 ASN C CG 1 ATOM 2545 O OD1 . ASN C 1 72 ? 80.425 25.208 -11.802 1.00 53.23 ? 96 ASN C OD1 1 ATOM 2546 N ND2 . ASN C 1 72 ? 81.810 25.249 -10.037 1.00 53.03 ? 96 ASN C ND2 1 ATOM 2547 N N . PHE C 1 73 ? 81.636 30.520 -11.392 1.00 46.46 ? 97 PHE C N 1 ATOM 2548 C CA . PHE C 1 73 ? 81.302 31.937 -11.314 1.00 44.16 ? 97 PHE C CA 1 ATOM 2549 C C . PHE C 1 73 ? 81.650 32.634 -12.620 1.00 52.88 ? 97 PHE C C 1 ATOM 2550 O O . PHE C 1 73 ? 82.808 32.645 -13.038 1.00 55.48 ? 97 PHE C O 1 ATOM 2551 C CB . PHE C 1 73 ? 82.037 32.603 -10.151 1.00 35.31 ? 97 PHE C CB 1 ATOM 2552 C CG . PHE C 1 73 ? 81.731 34.068 -10.004 1.00 34.05 ? 97 PHE C CG 1 ATOM 2553 C CD1 . PHE C 1 73 ? 80.545 34.486 -9.423 1.00 35.11 ? 97 PHE C CD1 1 ATOM 2554 C CD2 . PHE C 1 73 ? 82.624 35.026 -10.451 1.00 34.31 ? 97 PHE C CD2 1 ATOM 2555 C CE1 . PHE C 1 73 ? 80.259 35.831 -9.290 1.00 33.02 ? 97 PHE C CE1 1 ATOM 2556 C CE2 . PHE C 1 73 ? 82.343 36.373 -10.319 1.00 31.25 ? 97 PHE C CE2 1 ATOM 2557 C CZ . PHE C 1 73 ? 81.161 36.775 -9.737 1.00 30.67 ? 97 PHE C CZ 1 ATOM 2558 N N . ASP C 1 74 ? 80.640 33.218 -13.257 1.00 61.13 ? 98 ASP C N 1 ATOM 2559 C CA . ASP C 1 74 ? 80.836 33.953 -14.501 1.00 72.48 ? 98 ASP C CA 1 ATOM 2560 C C . ASP C 1 74 ? 81.118 35.420 -14.205 1.00 68.91 ? 98 ASP C C 1 ATOM 2561 O O . ASP C 1 74 ? 80.212 36.176 -13.854 1.00 70.32 ? 98 ASP C O 1 ATOM 2562 C CB . ASP C 1 74 ? 79.607 33.822 -15.402 1.00 85.12 ? 98 ASP C CB 1 ATOM 2563 C CG . ASP C 1 74 ? 79.794 34.499 -16.749 1.00 100.41 ? 98 ASP C CG 1 ATOM 2564 O OD1 . ASP C 1 74 ? 80.946 34.839 -17.098 1.00 105.69 ? 98 ASP C OD1 1 ATOM 2565 O OD2 . ASP C 1 74 ? 78.787 34.690 -17.462 1.00 107.18 ? 98 ASP C OD2 1 ATOM 2566 N N . SER C 1 75 ? 82.379 35.816 -14.354 1.00 67.96 ? 99 SER C N 1 ATOM 2567 C CA . SER C 1 75 ? 82.803 37.169 -14.017 1.00 73.25 ? 99 SER C CA 1 ATOM 2568 C C . SER C 1 75 ? 82.070 38.200 -14.868 1.00 74.81 ? 99 SER C C 1 ATOM 2569 O O . SER C 1 75 ? 81.768 39.300 -14.399 1.00 73.76 ? 99 SER C O 1 ATOM 2570 C CB . SER C 1 75 ? 84.313 37.317 -14.202 1.00 80.53 ? 99 SER C CB 1 ATOM 2571 O OG . SER C 1 75 ? 84.714 36.866 -15.483 1.00 88.21 ? 99 SER C OG 1 ATOM 2572 N N . GLU C 1 76 ? 81.785 37.837 -16.115 1.00 77.53 ? 100 GLU C N 1 ATOM 2573 C CA . GLU C 1 76 ? 81.148 38.752 -17.057 1.00 79.82 ? 100 GLU C CA 1 ATOM 2574 C C . GLU C 1 76 ? 79.762 39.181 -16.585 1.00 73.28 ? 100 GLU C C 1 ATOM 2575 O O . GLU C 1 76 ? 79.410 40.359 -16.668 1.00 73.44 ? 100 GLU C O 1 ATOM 2576 C CB . GLU C 1 76 ? 81.046 38.106 -18.440 1.00 87.10 ? 100 GLU C CB 1 ATOM 2577 C CG . GLU C 1 76 ? 80.779 39.089 -19.579 1.00 92.79 ? 100 GLU C CG 1 ATOM 2578 C CD . GLU C 1 76 ? 81.769 40.239 -19.622 1.00 93.32 ? 100 GLU C CD 1 ATOM 2579 O OE1 . GLU C 1 76 ? 82.853 40.073 -20.221 1.00 99.08 ? 100 GLU C OE1 1 ATOM 2580 O OE2 . GLU C 1 76 ? 81.461 41.311 -19.057 1.00 88.15 ? 100 GLU C OE2 1 ATOM 2581 N N . ARG C 1 77 ? 78.986 38.224 -16.086 1.00 68.32 ? 101 ARG C N 1 ATOM 2582 C CA . ARG C 1 77 ? 77.640 38.503 -15.598 1.00 67.14 ? 101 ARG C CA 1 ATOM 2583 C C . ARG C 1 77 ? 77.599 38.527 -14.074 1.00 63.83 ? 101 ARG C C 1 ATOM 2584 O O . ARG C 1 77 ? 76.552 38.790 -13.481 1.00 62.09 ? 101 ARG C O 1 ATOM 2585 C CB . ARG C 1 77 ? 76.660 37.450 -16.120 1.00 69.49 ? 101 ARG C CB 1 ATOM 2586 C CG . ARG C 1 77 ? 76.649 37.301 -17.632 1.00 73.18 ? 101 ARG C CG 1 ATOM 2587 C CD . ARG C 1 77 ? 75.728 36.172 -18.065 1.00 74.91 ? 101 ARG C CD 1 ATOM 2588 N NE . ARG C 1 77 ? 75.441 36.213 -19.496 1.00 80.04 ? 101 ARG C NE 1 ATOM 2589 C CZ . ARG C 1 77 ? 76.281 35.802 -20.441 1.00 83.08 ? 101 ARG C CZ 1 ATOM 2590 N NH1 . ARG C 1 77 ? 77.474 35.320 -20.117 1.00 78.67 ? 101 ARG C NH1 1 ATOM 2591 N NH2 . ARG C 1 77 ? 75.928 35.876 -21.718 1.00 89.04 ? 101 ARG C NH2 1 ATOM 2592 N N . SER C 1 78 ? 78.747 38.268 -13.451 1.00 62.50 ? 102 SER C N 1 ATOM 2593 C CA . SER C 1 78 ? 78.866 38.263 -11.995 1.00 55.31 ? 102 SER C CA 1 ATOM 2594 C C . SER C 1 78 ? 77.776 37.390 -11.388 1.00 45.09 ? 102 SER C C 1 ATOM 2595 O O . SER C 1 78 ? 77.071 37.798 -10.464 1.00 42.67 ? 102 SER C O 1 ATOM 2596 C CB . SER C 1 78 ? 78.800 39.687 -11.439 1.00 57.68 ? 102 SER C CB 1 ATOM 2597 O OG . SER C 1 78 ? 79.947 40.425 -11.828 1.00 60.27 ? 102 SER C OG 1 ATOM 2598 N N . THR C 1 79 ? 77.643 36.188 -11.937 1.00 41.47 ? 103 THR C N 1 ATOM 2599 C CA . THR C 1 79 ? 76.622 35.243 -11.512 1.00 41.61 ? 103 THR C CA 1 ATOM 2600 C C . THR C 1 79 ? 77.238 33.879 -11.222 1.00 43.67 ? 103 THR C C 1 ATOM 2601 O O . THR C 1 79 ? 78.077 33.391 -11.982 1.00 49.58 ? 103 THR C O 1 ATOM 2602 C CB . THR C 1 79 ? 75.526 35.089 -12.583 1.00 42.83 ? 103 THR C CB 1 ATOM 2603 O OG1 . THR C 1 79 ? 75.054 36.382 -12.978 1.00 43.64 ? 103 THR C OG1 1 ATOM 2604 C CG2 . THR C 1 79 ? 74.365 34.266 -12.051 1.00 43.43 ? 103 THR C CG2 1 ATOM 2605 N N . PHE C 1 80 ? 76.808 33.265 -10.124 1.00 38.19 ? 104 PHE C N 1 ATOM 2606 C CA . PHE C 1 80 ? 77.233 31.915 -9.781 1.00 41.55 ? 104 PHE C CA 1 ATOM 2607 C C . PHE C 1 80 ? 76.197 30.890 -10.234 1.00 48.69 ? 104 PHE C C 1 ATOM 2608 O O . PHE C 1 80 ? 75.049 30.916 -9.786 1.00 52.28 ? 104 PHE C O 1 ATOM 2609 C CB . PHE C 1 80 ? 77.462 31.790 -8.276 1.00 35.52 ? 104 PHE C CB 1 ATOM 2610 C CG . PHE C 1 80 ? 77.855 30.409 -7.838 1.00 34.15 ? 104 PHE C CG 1 ATOM 2611 C CD1 . PHE C 1 80 ? 79.157 29.967 -7.984 1.00 36.43 ? 104 PHE C CD1 1 ATOM 2612 C CD2 . PHE C 1 80 ? 76.919 29.550 -7.288 1.00 33.56 ? 104 PHE C CD2 1 ATOM 2613 C CE1 . PHE C 1 80 ? 79.520 28.697 -7.583 1.00 38.39 ? 104 PHE C CE1 1 ATOM 2614 C CE2 . PHE C 1 80 ? 77.276 28.279 -6.886 1.00 36.29 ? 104 PHE C CE2 1 ATOM 2615 C CZ . PHE C 1 80 ? 78.578 27.852 -7.033 1.00 38.95 ? 104 PHE C CZ 1 ATOM 2616 N N . ILE C 1 81 ? 76.611 29.989 -11.121 1.00 49.05 ? 105 ILE C N 1 ATOM 2617 C CA . ILE C 1 81 ? 75.751 28.903 -11.570 1.00 51.91 ? 105 ILE C CA 1 ATOM 2618 C C . ILE C 1 81 ? 76.160 27.619 -10.865 1.00 53.94 ? 105 ILE C C 1 ATOM 2619 O O . ILE C 1 81 ? 77.252 27.099 -11.086 1.00 55.65 ? 105 ILE C O 1 ATOM 2620 C CB . ILE C 1 81 ? 75.820 28.704 -13.097 1.00 56.11 ? 105 ILE C CB 1 ATOM 2621 C CG1 . ILE C 1 81 ? 75.285 29.939 -13.825 1.00 55.76 ? 105 ILE C CG1 1 ATOM 2622 C CG2 . ILE C 1 81 ? 75.019 27.479 -13.517 1.00 59.40 ? 105 ILE C CG2 1 ATOM 2623 C CD1 . ILE C 1 81 ? 76.326 31.007 -14.080 1.00 57.01 ? 105 ILE C CD1 1 ATOM 2624 N N . ALA C 1 82 ? 75.272 27.111 -10.017 1.00 55.82 ? 106 ALA C N 1 ATOM 2625 C CA . ALA C 1 82 ? 75.554 25.915 -9.234 1.00 58.29 ? 106 ALA C CA 1 ATOM 2626 C C . ALA C 1 82 ? 75.827 24.715 -10.142 1.00 64.72 ? 106 ALA C C 1 ATOM 2627 O O . ALA C 1 82 ? 75.000 24.384 -10.990 1.00 69.84 ? 106 ALA C O 1 ATOM 2628 C CB . ALA C 1 82 ? 74.395 25.617 -8.302 1.00 57.26 ? 106 ALA C CB 1 ATOM 2629 N N . PRO C 1 83 ? 76.989 24.059 -9.972 1.00 64.46 ? 107 PRO C N 1 ATOM 2630 C CA . PRO C 1 83 ? 77.306 22.888 -10.798 1.00 64.77 ? 107 PRO C CA 1 ATOM 2631 C C . PRO C 1 83 ? 76.565 21.621 -10.386 1.00 64.45 ? 107 PRO C C 1 ATOM 2632 O O . PRO C 1 83 ? 76.553 20.654 -11.146 1.00 70.55 ? 107 PRO C O 1 ATOM 2633 C CB . PRO C 1 83 ? 78.809 22.708 -10.585 1.00 65.51 ? 107 PRO C CB 1 ATOM 2634 C CG . PRO C 1 83 ? 79.059 23.261 -9.237 1.00 66.22 ? 107 PRO C CG 1 ATOM 2635 C CD . PRO C 1 83 ? 78.108 24.413 -9.080 1.00 64.16 ? 107 PRO C CD 1 ATOM 2636 N N . ARG C 1 84 ? 75.971 21.621 -9.198 1.00 59.07 ? 108 ARG C N 1 ATOM 2637 C CA . ARG C 1 84 ? 75.295 20.433 -8.690 1.00 60.84 ? 108 ARG C CA 1 ATOM 2638 C C . ARG C 1 84 ? 74.357 20.763 -7.536 1.00 59.94 ? 108 ARG C C 1 ATOM 2639 O O . ARG C 1 84 ? 74.373 21.871 -7.002 1.00 61.09 ? 108 ARG C O 1 ATOM 2640 C CB . ARG C 1 84 ? 76.321 19.394 -8.240 1.00 62.54 ? 108 ARG C CB 1 ATOM 2641 C CG . ARG C 1 84 ? 77.224 19.868 -7.117 1.00 63.64 ? 108 ARG C CG 1 ATOM 2642 C CD . ARG C 1 84 ? 78.320 18.860 -6.832 1.00 67.56 ? 108 ARG C CD 1 ATOM 2643 N NE . ARG C 1 84 ? 77.790 17.598 -6.328 1.00 69.05 ? 108 ARG C NE 1 ATOM 2644 C CZ . ARG C 1 84 ? 78.537 16.547 -6.010 1.00 70.59 ? 108 ARG C CZ 1 ATOM 2645 N NH1 . ARG C 1 84 ? 79.856 16.596 -6.148 1.00 69.81 ? 108 ARG C NH1 1 ATOM 2646 N NH2 . ARG C 1 84 ? 77.966 15.441 -5.557 1.00 74.06 ? 108 ARG C NH2 1 ATOM 2647 N N . LYS C 1 85 ? 73.544 19.785 -7.154 1.00 60.37 ? 109 LYS C N 1 ATOM 2648 C CA . LYS C 1 85 ? 72.608 19.953 -6.052 1.00 62.50 ? 109 LYS C CA 1 ATOM 2649 C C . LYS C 1 85 ? 73.333 19.887 -4.713 1.00 60.11 ? 109 LYS C C 1 ATOM 2650 O O . LYS C 1 85 ? 74.048 18.924 -4.434 1.00 62.92 ? 109 LYS C O 1 ATOM 2651 C CB . LYS C 1 85 ? 71.524 18.876 -6.119 1.00 69.63 ? 109 LYS C CB 1 ATOM 2652 C CG . LYS C 1 85 ? 70.539 18.892 -4.965 1.00 73.55 ? 109 LYS C CG 1 ATOM 2653 C CD . LYS C 1 85 ? 69.380 17.943 -5.231 1.00 83.47 ? 109 LYS C CD 1 ATOM 2654 C CE . LYS C 1 85 ? 68.693 17.510 -3.947 1.00 89.49 ? 109 LYS C CE 1 ATOM 2655 N NZ . LYS C 1 85 ? 67.791 16.346 -4.175 1.00 97.13 ? 109 LYS C NZ 1 ATOM 2656 N N . GLY C 1 86 ? 73.149 20.914 -3.889 1.00 54.16 ? 110 GLY C N 1 ATOM 2657 C CA . GLY C 1 86 ? 73.764 20.951 -2.575 1.00 52.47 ? 110 GLY C CA 1 ATOM 2658 C C . GLY C 1 86 ? 73.412 22.191 -1.776 1.00 50.68 ? 110 GLY C C 1 ATOM 2659 O O . GLY C 1 86 ? 72.596 23.010 -2.202 1.00 51.68 ? 110 GLY C O 1 ATOM 2660 N N . ILE C 1 87 ? 74.037 22.318 -0.607 1.00 46.71 ? 111 ILE C N 1 ATOM 2661 C CA . ILE C 1 87 ? 73.899 23.501 0.238 1.00 43.88 ? 111 ILE C CA 1 ATOM 2662 C C . ILE C 1 87 ? 75.091 24.430 0.029 1.00 46.20 ? 111 ILE C C 1 ATOM 2663 O O . ILE C 1 87 ? 76.238 24.043 0.259 1.00 48.58 ? 111 ILE C O 1 ATOM 2664 C CB . ILE C 1 87 ? 73.797 23.125 1.733 1.00 44.63 ? 111 ILE C CB 1 ATOM 2665 C CG1 . ILE C 1 87 ? 72.567 22.251 1.993 1.00 52.80 ? 111 ILE C CG1 1 ATOM 2666 C CG2 . ILE C 1 87 ? 73.754 24.371 2.610 1.00 40.80 ? 111 ILE C CG2 1 ATOM 2667 C CD1 . ILE C 1 87 ? 71.238 22.907 1.649 1.00 54.06 ? 111 ILE C CD1 1 ATOM 2668 N N . TYR C 1 88 ? 74.807 25.657 -0.395 1.00 45.73 ? 112 TYR C N 1 ATOM 2669 C CA . TYR C 1 88 ? 75.842 26.647 -0.668 1.00 43.06 ? 112 TYR C CA 1 ATOM 2670 C C . TYR C 1 88 ? 75.820 27.774 0.355 1.00 42.06 ? 112 TYR C C 1 ATOM 2671 O O . TYR C 1 88 ? 74.757 28.162 0.840 1.00 43.40 ? 112 TYR C O 1 ATOM 2672 C CB . TYR C 1 88 ? 75.667 27.227 -2.071 1.00 41.87 ? 112 TYR C CB 1 ATOM 2673 C CG . TYR C 1 88 ? 75.899 26.230 -3.179 1.00 43.93 ? 112 TYR C CG 1 ATOM 2674 C CD1 . TYR C 1 88 ? 74.907 25.335 -3.552 1.00 46.09 ? 112 TYR C CD1 1 ATOM 2675 C CD2 . TYR C 1 88 ? 77.107 26.191 -3.861 1.00 45.21 ? 112 TYR C CD2 1 ATOM 2676 C CE1 . TYR C 1 88 ? 75.116 24.423 -4.566 1.00 51.34 ? 112 TYR C CE1 1 ATOM 2677 C CE2 . TYR C 1 88 ? 77.324 25.284 -4.878 1.00 46.78 ? 112 TYR C CE2 1 ATOM 2678 C CZ . TYR C 1 88 ? 76.325 24.404 -5.227 1.00 50.37 ? 112 TYR C CZ 1 ATOM 2679 O OH . TYR C 1 88 ? 76.535 23.499 -6.238 1.00 56.47 ? 112 TYR C OH 1 ATOM 2680 N N . SER C 1 89 ? 77.003 28.289 0.674 1.00 38.75 ? 113 SER C N 1 ATOM 2681 C CA . SER C 1 89 ? 77.139 29.457 1.533 1.00 36.54 ? 113 SER C CA 1 ATOM 2682 C C . SER C 1 89 ? 77.423 30.672 0.675 1.00 37.71 ? 113 SER C C 1 ATOM 2683 O O . SER C 1 89 ? 78.135 30.580 -0.323 1.00 36.38 ? 113 SER C O 1 ATOM 2684 C CB . SER C 1 89 ? 78.260 29.267 2.554 1.00 39.19 ? 113 SER C CB 1 ATOM 2685 O OG . SER C 1 89 ? 78.546 30.483 3.226 1.00 37.97 ? 113 SER C OG 1 ATOM 2686 N N . PHE C 1 90 ? 76.848 31.806 1.058 1.00 38.55 ? 114 PHE C N 1 ATOM 2687 C CA . PHE C 1 90 ? 77.090 33.060 0.360 1.00 34.69 ? 114 PHE C CA 1 ATOM 2688 C C . PHE C 1 90 ? 77.319 34.192 1.345 1.00 36.86 ? 114 PHE C C 1 ATOM 2689 O O . PHE C 1 90 ? 76.692 34.253 2.403 1.00 39.18 ? 114 PHE C O 1 ATOM 2690 C CB . PHE C 1 90 ? 75.922 33.405 -0.562 1.00 30.93 ? 114 PHE C CB 1 ATOM 2691 C CG . PHE C 1 90 ? 75.785 32.486 -1.738 1.00 29.91 ? 114 PHE C CG 1 ATOM 2692 C CD1 . PHE C 1 90 ? 76.576 32.658 -2.862 1.00 30.42 ? 114 PHE C CD1 1 ATOM 2693 C CD2 . PHE C 1 90 ? 74.860 31.457 -1.726 1.00 27.43 ? 114 PHE C CD2 1 ATOM 2694 C CE1 . PHE C 1 90 ? 76.452 31.816 -3.949 1.00 30.84 ? 114 PHE C CE1 1 ATOM 2695 C CE2 . PHE C 1 90 ? 74.730 30.612 -2.810 1.00 30.09 ? 114 PHE C CE2 1 ATOM 2696 C CZ . PHE C 1 90 ? 75.527 30.791 -3.923 1.00 30.60 ? 114 PHE C CZ 1 ATOM 2697 N N . ASN C 1 91 ? 78.238 35.077 0.986 1.00 35.75 ? 115 ASN C N 1 ATOM 2698 C CA . ASN C 1 91 ? 78.498 36.281 1.753 1.00 36.42 ? 115 ASN C CA 1 ATOM 2699 C C . ASN C 1 91 ? 78.787 37.424 0.799 1.00 32.53 ? 115 ASN C C 1 ATOM 2700 O O . ASN C 1 91 ? 79.438 37.232 -0.228 1.00 39.32 ? 115 ASN C O 1 ATOM 2701 C CB . ASN C 1 91 ? 79.668 36.073 2.711 1.00 43.04 ? 115 ASN C CB 1 ATOM 2702 C CG . ASN C 1 91 ? 79.329 35.126 3.840 1.00 53.33 ? 115 ASN C CG 1 ATOM 2703 O OD1 . ASN C 1 91 ? 78.753 35.527 4.851 1.00 59.45 ? 115 ASN C OD1 1 ATOM 2704 N ND2 . ASN C 1 91 ? 79.676 33.855 3.669 1.00 58.60 ? 115 ASN C ND2 1 ATOM 2705 N N . PHE C 1 92 ? 78.294 38.610 1.128 1.00 25.57 ? 116 PHE C N 1 ATOM 2706 C CA . PHE C 1 92 ? 78.571 39.777 0.311 1.00 29.81 ? 116 PHE C CA 1 ATOM 2707 C C . PHE C 1 92 ? 78.633 41.037 1.157 1.00 35.30 ? 116 PHE C C 1 ATOM 2708 O O . PHE C 1 92 ? 77.869 41.205 2.107 1.00 39.03 ? 116 PHE C O 1 ATOM 2709 C CB . PHE C 1 92 ? 77.514 39.928 -0.783 1.00 26.31 ? 116 PHE C CB 1 ATOM 2710 C CG . PHE C 1 92 ? 76.153 40.284 -0.267 1.00 22.26 ? 116 PHE C CG 1 ATOM 2711 C CD1 . PHE C 1 92 ? 75.276 39.301 0.149 1.00 22.49 ? 116 PHE C CD1 1 ATOM 2712 C CD2 . PHE C 1 92 ? 75.748 41.605 -0.200 1.00 24.32 ? 116 PHE C CD2 1 ATOM 2713 C CE1 . PHE C 1 92 ? 74.022 39.628 0.624 1.00 24.28 ? 116 PHE C CE1 1 ATOM 2714 C CE2 . PHE C 1 92 ? 74.496 41.937 0.275 1.00 20.25 ? 116 PHE C CE2 1 ATOM 2715 C CZ . PHE C 1 92 ? 73.632 40.947 0.686 1.00 20.30 ? 116 PHE C CZ 1 ATOM 2716 N N . HIS C 1 93 ? 79.563 41.914 0.799 1.00 36.45 ? 117 HIS C N 1 ATOM 2717 C CA . HIS C 1 93 ? 79.664 43.234 1.394 1.00 42.30 ? 117 HIS C CA 1 ATOM 2718 C C . HIS C 1 93 ? 79.742 44.250 0.272 1.00 34.76 ? 117 HIS C C 1 ATOM 2719 O O . HIS C 1 93 ? 80.709 44.266 -0.480 1.00 37.55 ? 117 HIS C O 1 ATOM 2720 C CB . HIS C 1 93 ? 80.891 43.343 2.304 1.00 59.05 ? 117 HIS C CB 1 ATOM 2721 C CG . HIS C 1 93 ? 80.919 42.328 3.406 1.00 75.69 ? 117 HIS C CG 1 ATOM 2722 N ND1 . HIS C 1 93 ? 80.662 42.650 4.722 1.00 82.89 ? 117 HIS C ND1 1 ATOM 2723 C CD2 . HIS C 1 93 ? 81.181 40.998 3.389 1.00 81.02 ? 117 HIS C CD2 1 ATOM 2724 C CE1 . HIS C 1 93 ? 80.755 41.562 5.466 1.00 86.01 ? 117 HIS C CE1 1 ATOM 2725 N NE2 . HIS C 1 93 ? 81.073 40.547 4.682 1.00 83.91 ? 117 HIS C NE2 1 ATOM 2726 N N . VAL C 1 94 ? 78.710 45.074 0.142 1.00 32.47 ? 118 VAL C N 1 ATOM 2727 C CA . VAL C 1 94 ? 78.699 46.123 -0.866 1.00 32.87 ? 118 VAL C CA 1 ATOM 2728 C C . VAL C 1 94 ? 79.002 47.453 -0.186 1.00 34.02 ? 118 VAL C C 1 ATOM 2729 O O . VAL C 1 94 ? 78.183 47.979 0.568 1.00 29.66 ? 118 VAL C O 1 ATOM 2730 C CB . VAL C 1 94 ? 77.351 46.188 -1.605 1.00 34.18 ? 118 VAL C CB 1 ATOM 2731 C CG1 . VAL C 1 94 ? 77.320 47.363 -2.569 1.00 37.08 ? 118 VAL C CG1 1 ATOM 2732 C CG2 . VAL C 1 94 ? 77.103 44.891 -2.353 1.00 31.52 ? 118 VAL C CG2 1 ATOM 2733 N N . VAL C 1 95 ? 80.192 47.981 -0.456 1.00 39.23 ? 119 VAL C N 1 ATOM 2734 C CA . VAL C 1 95 ? 80.664 49.209 0.172 1.00 37.26 ? 119 VAL C CA 1 ATOM 2735 C C . VAL C 1 95 ? 80.408 50.398 -0.740 1.00 38.28 ? 119 VAL C C 1 ATOM 2736 O O . VAL C 1 95 ? 80.882 50.426 -1.872 1.00 38.79 ? 119 VAL C O 1 ATOM 2737 C CB . VAL C 1 95 ? 82.169 49.141 0.493 1.00 36.11 ? 119 VAL C CB 1 ATOM 2738 C CG1 . VAL C 1 95 ? 82.604 50.370 1.278 1.00 41.15 ? 119 VAL C CG1 1 ATOM 2739 C CG2 . VAL C 1 95 ? 82.497 47.870 1.262 1.00 37.51 ? 119 VAL C CG2 1 ATOM 2740 N N . LYS C 1 96 ? 79.670 51.381 -0.235 1.00 40.22 ? 120 LYS C N 1 ATOM 2741 C CA . LYS C 1 96 ? 79.326 52.563 -1.013 1.00 45.91 ? 120 LYS C CA 1 ATOM 2742 C C . LYS C 1 96 ? 79.907 53.820 -0.378 1.00 49.80 ? 120 LYS C C 1 ATOM 2743 O O . LYS C 1 96 ? 80.345 53.804 0.774 1.00 50.17 ? 120 LYS C O 1 ATOM 2744 C CB . LYS C 1 96 ? 77.804 52.671 -1.153 1.00 46.24 ? 120 LYS C CB 1 ATOM 2745 C CG . LYS C 1 96 ? 77.054 52.985 0.139 1.00 44.62 ? 120 LYS C CG 1 ATOM 2746 C CD . LYS C 1 96 ? 75.651 53.495 -0.144 1.00 46.68 ? 120 LYS C CD 1 ATOM 2747 C CE . LYS C 1 96 ? 75.647 54.924 -0.644 1.00 51.29 ? 120 LYS C CE 1 ATOM 2748 N NZ . LYS C 1 96 ? 75.467 55.912 0.458 1.00 54.44 ? 120 LYS C NZ 1 ATOM 2749 N N . VAL C 1 97 ? 79.903 54.905 -1.145 1.00 53.90 ? 121 VAL C N 1 ATOM 2750 C CA . VAL C 1 97 ? 80.401 56.196 -0.683 1.00 56.66 ? 121 VAL C CA 1 ATOM 2751 C C . VAL C 1 97 ? 79.281 57.225 -0.680 1.00 58.27 ? 121 VAL C C 1 ATOM 2752 O O . VAL C 1 97 ? 78.175 56.944 -1.140 1.00 59.22 ? 121 VAL C O 1 ATOM 2753 C CB . VAL C 1 97 ? 81.556 56.707 -1.563 1.00 57.08 ? 121 VAL C CB 1 ATOM 2754 C CG1 . VAL C 1 97 ? 82.849 56.014 -1.179 1.00 55.62 ? 121 VAL C CG1 1 ATOM 2755 C CG2 . VAL C 1 97 ? 81.246 56.499 -3.042 1.00 58.59 ? 121 VAL C CG2 1 ATOM 2756 N N . TYR C 1 98 ? 79.563 58.410 -0.150 1.00 62.77 ? 122 TYR C N 1 ATOM 2757 C CA . TYR C 1 98 ? 78.560 59.463 -0.090 1.00 69.33 ? 122 TYR C CA 1 ATOM 2758 C C . TYR C 1 98 ? 78.113 59.810 -1.507 1.00 74.63 ? 122 TYR C C 1 ATOM 2759 O O . TYR C 1 98 ? 78.882 60.364 -2.294 1.00 75.60 ? 122 TYR C O 1 ATOM 2760 C CB . TYR C 1 98 ? 79.114 60.699 0.626 1.00 73.02 ? 122 TYR C CB 1 ATOM 2761 C CG . TYR C 1 98 ? 78.146 61.861 0.693 1.00 79.12 ? 122 TYR C CG 1 ATOM 2762 C CD1 . TYR C 1 98 ? 77.089 61.860 1.594 1.00 82.64 ? 122 TYR C CD1 1 ATOM 2763 C CD2 . TYR C 1 98 ? 78.297 62.963 -0.138 1.00 82.06 ? 122 TYR C CD2 1 ATOM 2764 C CE1 . TYR C 1 98 ? 76.204 62.922 1.659 1.00 86.93 ? 122 TYR C CE1 1 ATOM 2765 C CE2 . TYR C 1 98 ? 77.417 64.030 -0.080 1.00 86.82 ? 122 TYR C CE2 1 ATOM 2766 C CZ . TYR C 1 98 ? 76.373 64.004 0.821 1.00 89.53 ? 122 TYR C CZ 1 ATOM 2767 O OH . TYR C 1 98 ? 75.494 65.063 0.884 1.00 93.29 ? 122 TYR C OH 1 ATOM 2768 N N . ASN C 1 99 ? 76.866 59.470 -1.820 1.00 79.45 ? 123 ASN C N 1 ATOM 2769 C CA . ASN C 1 99 ? 76.293 59.695 -3.144 1.00 86.26 ? 123 ASN C CA 1 ATOM 2770 C C . ASN C 1 99 ? 74.887 60.281 -3.056 1.00 89.40 ? 123 ASN C C 1 ATOM 2771 O O . ASN C 1 99 ? 74.120 60.235 -4.020 1.00 91.65 ? 123 ASN C O 1 ATOM 2772 C CB . ASN C 1 99 ? 76.276 58.383 -3.932 1.00 91.22 ? 123 ASN C CB 1 ATOM 2773 C CG . ASN C 1 99 ? 75.553 57.276 -3.198 1.00 96.75 ? 123 ASN C CG 1 ATOM 2774 O OD1 . ASN C 1 99 ? 75.153 57.440 -2.046 1.00 103.27 ? 123 ASN C OD1 1 ATOM 2775 N ND2 . ASN C 1 99 ? 75.401 56.129 -3.854 1.00 94.17 ? 123 ASN C ND2 1 ATOM 2776 N N . ARG C 1 100 ? 74.552 60.794 -1.875 1.00 87.23 ? 124 ARG C N 1 ATOM 2777 C CA . ARG C 1 100 ? 73.270 61.446 -1.614 1.00 85.58 ? 124 ARG C CA 1 ATOM 2778 C C . ARG C 1 100 ? 72.146 60.408 -1.643 1.00 81.79 ? 124 ARG C C 1 ATOM 2779 O O . ARG C 1 100 ? 70.967 60.761 -1.608 1.00 84.23 ? 124 ARG C O 1 ATOM 2780 C CB . ARG C 1 100 ? 72.984 62.572 -2.614 1.00 88.32 ? 124 ARG C CB 1 ATOM 2781 C CG . ARG C 1 100 ? 74.100 63.600 -2.727 1.00 93.08 ? 124 ARG C CG 1 ATOM 2782 C CD . ARG C 1 100 ? 74.741 63.524 -4.104 1.00 97.55 ? 124 ARG C CD 1 ATOM 2783 N NE . ARG C 1 100 ? 75.982 64.283 -4.209 1.00 103.51 ? 124 ARG C NE 1 ATOM 2784 C CZ . ARG C 1 100 ? 76.052 65.584 -4.470 1.00 110.88 ? 124 ARG C CZ 1 ATOM 2785 N NH1 . ARG C 1 100 ? 74.949 66.299 -4.644 1.00 111.28 ? 124 ARG C NH1 1 ATOM 2786 N NH2 . ARG C 1 100 ? 77.236 66.176 -4.550 1.00 115.19 ? 124 ARG C NH2 1 ATOM 2787 N N . GLN C 1 101 ? 72.521 59.130 -1.707 1.00 73.31 ? 125 GLN C N 1 ATOM 2788 C CA . GLN C 1 101 ? 71.559 58.047 -1.884 1.00 64.68 ? 125 GLN C CA 1 ATOM 2789 C C . GLN C 1 101 ? 71.670 56.959 -0.815 1.00 58.44 ? 125 GLN C C 1 ATOM 2790 O O . GLN C 1 101 ? 72.761 56.691 -0.307 1.00 59.98 ? 125 GLN C O 1 ATOM 2791 C CB . GLN C 1 101 ? 71.782 57.424 -3.258 1.00 63.39 ? 125 GLN C CB 1 ATOM 2792 C CG . GLN C 1 101 ? 71.495 58.367 -4.416 1.00 67.12 ? 125 GLN C CG 1 ATOM 2793 C CD . GLN C 1 101 ? 70.032 58.466 -4.784 1.00 73.17 ? 125 GLN C CD 1 ATOM 2794 O OE1 . GLN C 1 101 ? 69.219 57.619 -4.412 1.00 75.07 ? 125 GLN C OE1 1 ATOM 2795 N NE2 . GLN C 1 101 ? 69.688 59.513 -5.526 1.00 77.37 ? 125 GLN C NE2 1 ATOM 2796 N N . THR C 1 102 ? 70.538 56.340 -0.476 1.00 51.90 ? 126 THR C N 1 ATOM 2797 C CA . THR C 1 102 ? 70.532 55.125 0.342 1.00 48.13 ? 126 THR C CA 1 ATOM 2798 C C . THR C 1 102 ? 70.234 53.931 -0.559 1.00 47.04 ? 126 THR C C 1 ATOM 2799 O O . THR C 1 102 ? 69.384 54.018 -1.446 1.00 52.69 ? 126 THR C O 1 ATOM 2800 C CB . THR C 1 102 ? 69.488 55.177 1.477 1.00 49.42 ? 126 THR C CB 1 ATOM 2801 O OG1 . THR C 1 102 ? 68.170 55.052 0.931 1.00 51.04 ? 126 THR C OG1 1 ATOM 2802 C CG2 . THR C 1 102 ? 69.598 56.474 2.265 1.00 55.88 ? 126 THR C CG2 1 ATOM 2803 N N . ILE C 1 103 ? 70.925 52.818 -0.326 1.00 41.83 ? 127 ILE C N 1 ATOM 2804 C CA . ILE C 1 103 ? 70.824 51.657 -1.207 1.00 38.94 ? 127 ILE C CA 1 ATOM 2805 C C . ILE C 1 103 ? 70.252 50.427 -0.508 1.00 36.60 ? 127 ILE C C 1 ATOM 2806 O O . ILE C 1 103 ? 70.207 50.356 0.721 1.00 37.97 ? 127 ILE C O 1 ATOM 2807 C CB . ILE C 1 103 ? 72.202 51.284 -1.799 1.00 36.94 ? 127 ILE C CB 1 ATOM 2808 C CG1 . ILE C 1 103 ? 73.168 50.838 -0.695 1.00 36.28 ? 127 ILE C CG1 1 ATOM 2809 C CG2 . ILE C 1 103 ? 72.774 52.467 -2.568 1.00 39.85 ? 127 ILE C CG2 1 ATOM 2810 C CD1 . ILE C 1 103 ? 74.461 50.246 -1.215 1.00 35.83 ? 127 ILE C CD1 1 ATOM 2811 N N . GLN C 1 104 ? 69.819 49.462 -1.313 1.00 34.53 ? 128 GLN C N 1 ATOM 2812 C CA . GLN C 1 104 ? 69.410 48.154 -0.820 1.00 32.05 ? 128 GLN C CA 1 ATOM 2813 C C . GLN C 1 104 ? 69.882 47.068 -1.777 1.00 32.28 ? 128 GLN C C 1 ATOM 2814 O O . GLN C 1 104 ? 69.486 47.037 -2.940 1.00 35.80 ? 128 GLN C O 1 ATOM 2815 C CB . GLN C 1 104 ? 67.895 48.078 -0.649 1.00 31.62 ? 128 GLN C CB 1 ATOM 2816 C CG . GLN C 1 104 ? 67.400 46.689 -0.278 1.00 32.01 ? 128 GLN C CG 1 ATOM 2817 C CD . GLN C 1 104 ? 65.901 46.627 -0.103 1.00 37.99 ? 128 GLN C CD 1 ATOM 2818 O OE1 . GLN C 1 104 ? 65.229 47.656 -0.005 1.00 42.28 ? 128 GLN C OE1 1 ATOM 2819 N NE2 . GLN C 1 104 ? 65.364 45.414 -0.072 1.00 36.61 ? 128 GLN C NE2 1 ATOM 2820 N N . VAL C 1 105 ? 70.726 46.177 -1.270 1.00 30.01 ? 129 VAL C N 1 ATOM 2821 C CA . VAL C 1 105 ? 71.244 45.056 -2.047 1.00 26.73 ? 129 VAL C CA 1 ATOM 2822 C C . VAL C 1 105 ? 70.553 43.769 -1.632 1.00 23.16 ? 129 VAL C C 1 ATOM 2823 O O . VAL C 1 105 ? 70.347 43.530 -0.444 1.00 22.84 ? 129 VAL C O 1 ATOM 2824 C CB . VAL C 1 105 ? 72.760 44.892 -1.863 1.00 29.94 ? 129 VAL C CB 1 ATOM 2825 C CG1 . VAL C 1 105 ? 73.278 43.730 -2.703 1.00 29.71 ? 129 VAL C CG1 1 ATOM 2826 C CG2 . VAL C 1 105 ? 73.480 46.180 -2.228 1.00 36.66 ? 129 VAL C CG2 1 ATOM 2827 N N . SER C 1 106 ? 70.191 42.951 -2.615 1.00 21.88 ? 130 SER C N 1 ATOM 2828 C CA . SER C 1 106 ? 69.579 41.654 -2.348 1.00 37.52 ? 130 SER C CA 1 ATOM 2829 C C . SER C 1 106 ? 70.346 40.517 -3.014 1.00 21.71 ? 130 SER C C 1 ATOM 2830 O O . SER C 1 106 ? 70.783 40.632 -4.158 1.00 21.87 ? 130 SER C O 1 ATOM 2831 C CB . SER C 1 106 ? 68.126 41.640 -2.825 1.00 39.34 ? 130 SER C CB 1 ATOM 2832 O OG . SER C 1 106 ? 67.281 42.309 -1.907 1.00 45.20 ? 130 SER C OG 1 ATOM 2833 N N . LEU C 1 107 ? 70.515 39.421 -2.283 1.00 21.56 ? 131 LEU C N 1 ATOM 2834 C CA . LEU C 1 107 ? 71.055 38.203 -2.863 1.00 28.63 ? 131 LEU C CA 1 ATOM 2835 C C . LEU C 1 107 ? 69.933 37.492 -3.598 1.00 33.31 ? 131 LEU C C 1 ATOM 2836 O O . LEU C 1 107 ? 68.909 37.152 -3.002 1.00 35.44 ? 131 LEU C O 1 ATOM 2837 C CB . LEU C 1 107 ? 71.655 37.292 -1.793 1.00 27.88 ? 131 LEU C CB 1 ATOM 2838 C CG . LEU C 1 107 ? 72.088 35.902 -2.269 1.00 27.93 ? 131 LEU C CG 1 ATOM 2839 C CD1 . LEU C 1 107 ? 73.199 36.007 -3.297 1.00 27.65 ? 131 LEU C CD1 1 ATOM 2840 C CD2 . LEU C 1 107 ? 72.527 35.050 -1.093 1.00 32.65 ? 131 LEU C CD2 1 ATOM 2841 N N . MET C 1 108 ? 70.135 37.269 -4.892 1.00 34.31 ? 132 MET C N 1 ATOM 2842 C CA . MET C 1 108 ? 69.106 36.704 -5.756 1.00 29.28 ? 132 MET C CA 1 ATOM 2843 C C . MET C 1 108 ? 69.329 35.233 -6.070 1.00 29.96 ? 132 MET C C 1 ATOM 2844 O O . MET C 1 108 ? 70.461 34.787 -6.239 1.00 30.88 ? 132 MET C O 1 ATOM 2845 C CB . MET C 1 108 ? 69.036 37.500 -7.057 1.00 31.08 ? 132 MET C CB 1 ATOM 2846 C CG . MET C 1 108 ? 68.495 38.896 -6.869 1.00 27.80 ? 132 MET C CG 1 ATOM 2847 S SD . MET C 1 108 ? 66.750 38.814 -6.451 1.00 36.33 ? 132 MET C SD 1 ATOM 2848 C CE . MET C 1 108 ? 66.440 40.490 -5.908 1.00 199.42 ? 132 MET C CE 1 ATOM 2849 N N . LEU C 1 109 ? 68.230 34.487 -6.129 1.00 33.38 ? 133 LEU C N 1 ATOM 2850 C CA . LEU C 1 109 ? 68.249 33.102 -6.582 1.00 37.31 ? 133 LEU C CA 1 ATOM 2851 C C . LEU C 1 109 ? 67.213 32.906 -7.679 1.00 38.26 ? 133 LEU C C 1 ATOM 2852 O O . LEU C 1 109 ? 66.023 32.786 -7.395 1.00 42.41 ? 133 LEU C O 1 ATOM 2853 C CB . LEU C 1 109 ? 67.971 32.153 -5.413 1.00 38.09 ? 133 LEU C CB 1 ATOM 2854 C CG . LEU C 1 109 ? 67.907 30.656 -5.726 1.00 37.70 ? 133 LEU C CG 1 ATOM 2855 C CD1 . LEU C 1 109 ? 69.207 30.168 -6.344 1.00 41.70 ? 133 LEU C CD1 1 ATOM 2856 C CD2 . LEU C 1 109 ? 67.586 29.870 -4.464 1.00 34.70 ? 133 LEU C CD2 1 ATOM 2857 N N . ASN C 1 110 ? 67.668 32.871 -8.929 1.00 38.98 ? 134 ASN C N 1 ATOM 2858 C CA . ASN C 1 110 ? 66.773 32.716 -10.075 1.00 41.86 ? 134 ASN C CA 1 ATOM 2859 C C . ASN C 1 110 ? 65.647 33.744 -10.108 1.00 40.35 ? 134 ASN C C 1 ATOM 2860 O O . ASN C 1 110 ? 64.483 33.388 -10.285 1.00 48.03 ? 134 ASN C O 1 ATOM 2861 C CB . ASN C 1 110 ? 66.174 31.309 -10.092 1.00 40.36 ? 134 ASN C CB 1 ATOM 2862 C CG . ASN C 1 110 ? 67.228 30.232 -10.187 1.00 45.14 ? 134 ASN C CG 1 ATOM 2863 O OD1 . ASN C 1 110 ? 68.357 30.485 -10.607 1.00 46.14 ? 134 ASN C OD1 1 ATOM 2864 N ND2 . ASN C 1 110 ? 66.867 29.018 -9.795 1.00 50.26 ? 134 ASN C ND2 1 ATOM 2865 N N . GLY C 1 111 ? 65.985 35.016 -9.937 1.00 36.91 ? 135 GLY C N 1 ATOM 2866 C CA . GLY C 1 111 ? 64.984 36.066 -10.003 1.00 40.70 ? 135 GLY C CA 1 ATOM 2867 C C . GLY C 1 111 ? 64.172 36.217 -8.728 1.00 45.63 ? 135 GLY C C 1 ATOM 2868 O O . GLY C 1 111 ? 63.194 36.966 -8.700 1.00 49.89 ? 135 GLY C O 1 ATOM 2869 N N . TRP C 1 112 ? 64.575 35.504 -7.677 1.00 44.18 ? 136 TRP C N 1 ATOM 2870 C CA . TRP C 1 112 ? 63.923 35.596 -6.372 1.00 48.57 ? 136 TRP C CA 1 ATOM 2871 C C . TRP C 1 112 ? 64.882 36.116 -5.312 1.00 41.04 ? 136 TRP C C 1 ATOM 2872 O O . TRP C 1 112 ? 66.013 35.645 -5.216 1.00 41.46 ? 136 TRP C O 1 ATOM 2873 C CB . TRP C 1 112 ? 63.414 34.232 -5.904 1.00 70.33 ? 136 TRP C CB 1 ATOM 2874 C CG . TRP C 1 112 ? 62.244 33.675 -6.633 1.00 93.37 ? 136 TRP C CG 1 ATOM 2875 C CD1 . TRP C 1 112 ? 62.165 33.355 -7.956 1.00 102.03 ? 136 TRP C CD1 1 ATOM 2876 C CD2 . TRP C 1 112 ? 60.975 33.340 -6.061 1.00 104.59 ? 136 TRP C CD2 1 ATOM 2877 N NE1 . TRP C 1 112 ? 60.919 32.850 -8.246 1.00 106.05 ? 136 TRP C NE1 1 ATOM 2878 C CE2 . TRP C 1 112 ? 60.171 32.831 -7.098 1.00 106.33 ? 136 TRP C CE2 1 ATOM 2879 C CE3 . TRP C 1 112 ? 60.440 33.425 -4.771 1.00 110.86 ? 136 TRP C CE3 1 ATOM 2880 C CZ2 . TRP C 1 112 ? 58.864 32.409 -6.887 1.00 108.49 ? 136 TRP C CZ2 1 ATOM 2881 C CZ3 . TRP C 1 112 ? 59.138 33.008 -4.563 1.00 112.94 ? 136 TRP C CZ3 1 ATOM 2882 C CH2 . TRP C 1 112 ? 58.364 32.506 -5.616 1.00 111.39 ? 136 TRP C CH2 1 ATOM 2883 N N . PRO C 1 113 ? 64.432 37.077 -4.495 1.00 37.33 ? 137 PRO C N 1 ATOM 2884 C CA . PRO C 1 113 ? 65.298 37.576 -3.427 1.00 33.26 ? 137 PRO C CA 1 ATOM 2885 C C . PRO C 1 113 ? 65.395 36.565 -2.295 1.00 33.29 ? 137 PRO C C 1 ATOM 2886 O O . PRO C 1 113 ? 64.377 35.976 -1.938 1.00 34.14 ? 137 PRO C O 1 ATOM 2887 C CB . PRO C 1 113 ? 64.592 38.847 -2.967 1.00 37.75 ? 137 PRO C CB 1 ATOM 2888 C CG . PRO C 1 113 ? 63.167 38.578 -3.243 1.00 45.09 ? 137 PRO C CG 1 ATOM 2889 C CD . PRO C 1 113 ? 63.130 37.766 -4.503 1.00 42.75 ? 137 PRO C CD 1 ATOM 2890 N N . VAL C 1 114 ? 66.586 36.373 -1.740 1.00 35.85 ? 138 VAL C N 1 ATOM 2891 C CA . VAL C 1 114 ? 66.758 35.489 -0.595 1.00 37.08 ? 138 VAL C CA 1 ATOM 2892 C C . VAL C 1 114 ? 66.914 36.323 0.671 1.00 36.23 ? 138 VAL C C 1 ATOM 2893 O O . VAL C 1 114 ? 66.158 36.173 1.630 1.00 35.74 ? 138 VAL C O 1 ATOM 2894 C CB . VAL C 1 114 ? 67.987 34.578 -0.763 1.00 36.41 ? 138 VAL C CB 1 ATOM 2895 C CG1 . VAL C 1 114 ? 68.123 33.641 0.424 1.00 39.40 ? 138 VAL C CG1 1 ATOM 2896 C CG2 . VAL C 1 114 ? 67.885 33.779 -2.052 1.00 32.66 ? 138 VAL C CG2 1 ATOM 2897 N N . ILE C 1 115 ? 67.909 37.203 0.651 1.00 35.26 ? 139 ILE C N 1 ATOM 2898 C CA . ILE C 1 115 ? 68.192 38.106 1.759 1.00 34.51 ? 139 ILE C CA 1 ATOM 2899 C C . ILE C 1 115 ? 68.481 39.508 1.243 1.00 29.45 ? 139 ILE C C 1 ATOM 2900 O O . ILE C 1 115 ? 68.746 39.695 0.056 1.00 28.82 ? 139 ILE C O 1 ATOM 2901 C CB . ILE C 1 115 ? 69.383 37.609 2.590 1.00 36.47 ? 139 ILE C CB 1 ATOM 2902 C CG1 . ILE C 1 115 ? 70.597 37.393 1.677 1.00 38.09 ? 139 ILE C CG1 1 ATOM 2903 C CG2 . ILE C 1 115 ? 69.013 36.316 3.296 1.00 37.66 ? 139 ILE C CG2 1 ATOM 2904 C CD1 . ILE C 1 115 ? 71.862 36.966 2.393 1.00 39.82 ? 139 ILE C CD1 1 ATOM 2905 N N . SER C 1 116 ? 68.410 40.492 2.134 1.00 29.13 ? 140 SER C N 1 ATOM 2906 C CA . SER C 1 116 ? 68.694 41.874 1.770 1.00 29.91 ? 140 SER C CA 1 ATOM 2907 C C . SER C 1 116 ? 69.564 42.557 2.817 1.00 31.22 ? 140 SER C C 1 ATOM 2908 O O . SER C 1 116 ? 69.592 42.158 3.982 1.00 36.58 ? 140 SER C O 1 ATOM 2909 C CB . SER C 1 116 ? 67.397 42.658 1.582 1.00 35.37 ? 140 SER C CB 1 ATOM 2910 O OG . SER C 1 116 ? 66.620 42.100 0.540 1.00 42.72 ? 140 SER C OG 1 ATOM 2911 N N . ALA C 1 117 ? 70.263 43.599 2.384 1.00 26.35 ? 141 ALA C N 1 ATOM 2912 C CA . ALA C 1 117 ? 71.086 44.412 3.264 1.00 23.51 ? 141 ALA C CA 1 ATOM 2913 C C . ALA C 1 117 ? 70.919 45.868 2.870 1.00 27.90 ? 141 ALA C C 1 ATOM 2914 O O . ALA C 1 117 ? 70.531 46.170 1.741 1.00 32.53 ? 141 ALA C O 1 ATOM 2915 C CB . ALA C 1 117 ? 72.541 43.993 3.184 1.00 21.68 ? 141 ALA C CB 1 ATOM 2916 N N . PHE C 1 118 ? 71.206 46.767 3.803 1.00 27.24 ? 142 PHE C N 1 ATOM 2917 C CA . PHE C 1 118 ? 70.976 48.186 3.584 1.00 28.95 ? 142 PHE C CA 1 ATOM 2918 C C . PHE C 1 118 ? 72.211 49.004 3.930 1.00 35.52 ? 142 PHE C C 1 ATOM 2919 O O . PHE C 1 118 ? 73.115 48.527 4.616 1.00 39.54 ? 142 PHE C O 1 ATOM 2920 C CB . PHE C 1 118 ? 69.786 48.647 4.421 1.00 33.67 ? 142 PHE C CB 1 ATOM 2921 C CG . PHE C 1 118 ? 68.535 47.847 4.184 1.00 36.59 ? 142 PHE C CG 1 ATOM 2922 C CD1 . PHE C 1 118 ? 68.349 46.625 4.814 1.00 34.10 ? 142 PHE C CD1 1 ATOM 2923 C CD2 . PHE C 1 118 ? 67.547 48.313 3.336 1.00 38.24 ? 142 PHE C CD2 1 ATOM 2924 C CE1 . PHE C 1 118 ? 67.204 45.885 4.600 1.00 31.28 ? 142 PHE C CE1 1 ATOM 2925 C CE2 . PHE C 1 118 ? 66.398 47.577 3.120 1.00 37.70 ? 142 PHE C CE2 1 ATOM 2926 C CZ . PHE C 1 118 ? 66.227 46.361 3.754 1.00 32.73 ? 142 PHE C CZ 1 ATOM 2927 N N . ALA C 1 119 ? 72.251 50.236 3.437 1.00 40.80 ? 143 ALA C N 1 ATOM 2928 C CA . ALA C 1 119 ? 73.349 51.141 3.737 1.00 52.49 ? 143 ALA C CA 1 ATOM 2929 C C . ALA C 1 119 ? 72.873 52.579 3.622 1.00 67.54 ? 143 ALA C C 1 ATOM 2930 O O . ALA C 1 119 ? 72.368 52.998 2.582 1.00 67.60 ? 143 ALA C O 1 ATOM 2931 C CB . ALA C 1 119 ? 74.519 50.890 2.805 1.00 52.48 ? 143 ALA C CB 1 ATOM 2932 N N . GLY C 1 120 ? 73.048 53.333 4.700 1.00 83.95 ? 144 GLY C N 1 ATOM 2933 C CA . GLY C 1 120 ? 72.588 54.705 4.755 1.00 95.47 ? 144 GLY C CA 1 ATOM 2934 C C . GLY C 1 120 ? 73.499 55.630 3.986 1.00 104.22 ? 144 GLY C C 1 ATOM 2935 O O . GLY C 1 120 ? 74.404 55.186 3.274 1.00 100.91 ? 144 GLY C O 1 ATOM 2936 N N . ASP C 1 121 ? 73.229 56.924 4.110 1.00 115.24 ? 145 ASP C N 1 ATOM 2937 C CA . ASP C 1 121 ? 74.049 57.944 3.481 1.00 125.80 ? 145 ASP C CA 1 ATOM 2938 C C . ASP C 1 121 ? 74.629 58.956 4.463 1.00 128.05 ? 145 ASP C C 1 ATOM 2939 O O . ASP C 1 121 ? 73.887 59.675 5.133 1.00 130.71 ? 145 ASP C O 1 ATOM 2940 C CB . ASP C 1 121 ? 73.238 58.694 2.439 1.00 134.48 ? 145 ASP C CB 1 ATOM 2941 C CG . ASP C 1 121 ? 74.102 59.560 1.560 1.00 143.24 ? 145 ASP C CG 1 ATOM 2942 O OD1 . ASP C 1 121 ? 75.310 59.269 1.419 1.00 146.38 ? 145 ASP C OD1 1 ATOM 2943 O OD2 . ASP C 1 121 ? 73.590 60.581 1.081 1.00 145.86 ? 145 ASP C OD2 1 ATOM 2944 N N . GLN C 1 122 ? 75.952 59.014 4.543 1.00 126.83 ? 146 GLN C N 1 ATOM 2945 C CA . GLN C 1 122 ? 76.625 60.036 5.339 1.00 128.47 ? 146 GLN C CA 1 ATOM 2946 C C . GLN C 1 122 ? 78.063 60.177 4.841 1.00 124.93 ? 146 GLN C C 1 ATOM 2947 O O . GLN C 1 122 ? 78.588 59.287 4.172 1.00 119.47 ? 146 GLN C O 1 ATOM 2948 C CB . GLN C 1 122 ? 76.564 59.722 6.839 1.00 129.40 ? 146 GLN C CB 1 ATOM 2949 C CG . GLN C 1 122 ? 77.744 58.960 7.410 1.00 128.01 ? 146 GLN C CG 1 ATOM 2950 C CD . GLN C 1 122 ? 77.837 57.538 6.911 1.00 122.84 ? 146 GLN C CD 1 ATOM 2951 O OE1 . GLN C 1 122 ? 78.923 57.046 6.612 1.00 120.64 ? 146 GLN C OE1 1 ATOM 2952 N NE2 . GLN C 1 122 ? 76.701 56.860 6.838 1.00 121.22 ? 146 GLN C NE2 1 ATOM 2953 N N . ASP C 1 123 ? 78.692 61.296 5.180 1.00 128.25 ? 147 ASP C N 1 ATOM 2954 C CA . ASP C 1 123 ? 79.987 61.664 4.618 1.00 127.11 ? 147 ASP C CA 1 ATOM 2955 C C . ASP C 1 123 ? 81.179 61.154 5.432 1.00 123.93 ? 147 ASP C C 1 ATOM 2956 O O . ASP C 1 123 ? 82.238 60.880 4.867 1.00 119.66 ? 147 ASP C O 1 ATOM 2957 C CB . ASP C 1 123 ? 80.072 63.190 4.492 1.00 128.92 ? 147 ASP C CB 1 ATOM 2958 C CG . ASP C 1 123 ? 81.209 63.648 3.595 1.00 127.08 ? 147 ASP C CG 1 ATOM 2959 O OD1 . ASP C 1 123 ? 81.664 62.858 2.741 1.00 122.05 ? 147 ASP C OD1 1 ATOM 2960 O OD2 . ASP C 1 123 ? 81.651 64.807 3.748 1.00 130.12 ? 147 ASP C OD2 1 ATOM 2961 N N . VAL C 1 124 ? 81.015 61.037 6.748 1.00 126.12 ? 148 VAL C N 1 ATOM 2962 C CA . VAL C 1 124 ? 82.136 60.714 7.634 1.00 129.43 ? 148 VAL C CA 1 ATOM 2963 C C . VAL C 1 124 ? 82.874 59.417 7.268 1.00 129.37 ? 148 VAL C C 1 ATOM 2964 O O . VAL C 1 124 ? 84.076 59.303 7.511 1.00 127.26 ? 148 VAL C O 1 ATOM 2965 C CB . VAL C 1 124 ? 81.661 60.613 9.112 1.00 143.34 ? 148 VAL C CB 1 ATOM 2966 C CG1 . VAL C 1 124 ? 80.725 59.430 9.312 1.00 140.80 ? 148 VAL C CG1 1 ATOM 2967 C CG2 . VAL C 1 124 ? 82.850 60.518 10.061 1.00 144.19 ? 148 VAL C CG2 1 ATOM 2968 N N . THR C 1 125 ? 82.170 58.450 6.685 1.00 130.35 ? 149 THR C N 1 ATOM 2969 C CA . THR C 1 125 ? 82.787 57.161 6.369 1.00 128.57 ? 149 THR C CA 1 ATOM 2970 C C . THR C 1 125 ? 82.074 56.403 5.253 1.00 125.80 ? 149 THR C C 1 ATOM 2971 O O . THR C 1 125 ? 80.969 56.765 4.848 1.00 127.03 ? 149 THR C O 1 ATOM 2972 C CB . THR C 1 125 ? 82.833 56.249 7.617 1.00 126.02 ? 149 THR C CB 1 ATOM 2973 O OG1 . THR C 1 125 ? 83.636 55.094 7.341 1.00 122.58 ? 149 THR C OG1 1 ATOM 2974 C CG2 . THR C 1 125 ? 81.427 55.805 8.030 1.00 124.36 ? 149 THR C CG2 1 ATOM 2975 N N . ARG C 1 126 ? 82.726 55.359 4.747 1.00 120.60 ? 150 ARG C N 1 ATOM 2976 C CA . ARG C 1 126 ? 82.043 54.375 3.919 1.00 115.32 ? 150 ARG C CA 1 ATOM 2977 C C . ARG C 1 126 ? 81.286 53.427 4.838 1.00 114.80 ? 150 ARG C C 1 ATOM 2978 O O . ARG C 1 126 ? 81.722 53.170 5.961 1.00 117.90 ? 150 ARG C O 1 ATOM 2979 C CB . ARG C 1 126 ? 83.025 53.578 3.056 1.00 111.50 ? 150 ARG C CB 1 ATOM 2980 C CG . ARG C 1 126 ? 83.844 54.390 2.075 1.00 112.78 ? 150 ARG C CG 1 ATOM 2981 C CD . ARG C 1 126 ? 84.642 53.461 1.165 1.00 112.00 ? 150 ARG C CD 1 ATOM 2982 N NE . ARG C 1 126 ? 85.466 54.185 0.201 1.00 115.00 ? 150 ARG C NE 1 ATOM 2983 C CZ . ARG C 1 126 ? 86.662 54.702 0.470 1.00 119.18 ? 150 ARG C CZ 1 ATOM 2984 N NH1 . ARG C 1 126 ? 87.190 54.591 1.685 1.00 118.77 ? 150 ARG C NH1 1 ATOM 2985 N NH2 . ARG C 1 126 ? 87.333 55.341 -0.479 1.00 123.18 ? 150 ARG C NH2 1 ATOM 2986 N N . GLU C 1 127 ? 80.154 52.916 4.369 1.00 110.76 ? 151 GLU C N 1 ATOM 2987 C CA . GLU C 1 127 ? 79.441 51.864 5.086 1.00 107.24 ? 151 GLU C CA 1 ATOM 2988 C C . GLU C 1 127 ? 79.034 50.762 4.119 1.00 86.36 ? 151 GLU C C 1 ATOM 2989 O O . GLU C 1 127 ? 78.968 50.980 2.906 1.00 81.54 ? 151 GLU C O 1 ATOM 2990 C CB . GLU C 1 127 ? 78.229 52.419 5.833 1.00 122.10 ? 151 GLU C CB 1 ATOM 2991 C CG . GLU C 1 127 ? 77.281 53.250 5.003 1.00 134.21 ? 151 GLU C CG 1 ATOM 2992 C CD . GLU C 1 127 ? 76.144 53.799 5.840 1.00 144.51 ? 151 GLU C CD 1 ATOM 2993 O OE1 . GLU C 1 127 ? 75.644 53.068 6.722 1.00 139.55 ? 151 GLU C OE1 1 ATOM 2994 O OE2 . GLU C 1 127 ? 75.773 54.973 5.642 1.00 155.15 ? 151 GLU C OE2 1 ATOM 2995 N N . ALA C 1 128 ? 78.765 49.582 4.669 1.00 71.80 ? 152 ALA C N 1 ATOM 2996 C CA . ALA C 1 128 ? 78.548 48.389 3.865 1.00 57.64 ? 152 ALA C CA 1 ATOM 2997 C C . ALA C 1 128 ? 77.173 47.774 4.077 1.00 50.16 ? 152 ALA C C 1 ATOM 2998 O O . ALA C 1 128 ? 76.710 47.619 5.207 1.00 47.02 ? 152 ALA C O 1 ATOM 2999 C CB . ALA C 1 128 ? 79.620 47.361 4.174 1.00 50.86 ? 152 ALA C CB 1 ATOM 3000 N N . ALA C 1 129 ? 76.528 47.426 2.970 1.00 50.39 ? 153 ALA C N 1 ATOM 3001 C CA . ALA C 1 129 ? 75.330 46.608 3.011 1.00 49.77 ? 153 ALA C CA 1 ATOM 3002 C C . ALA C 1 129 ? 75.774 45.150 2.967 1.00 43.01 ? 153 ALA C C 1 ATOM 3003 O O . ALA C 1 129 ? 76.141 44.632 1.910 1.00 38.19 ? 153 ALA C O 1 ATOM 3004 C CB . ALA C 1 129 ? 74.406 46.939 1.851 1.00 50.78 ? 153 ALA C CB 1 ATOM 3005 N N . SER C 1 130 ? 75.754 44.505 4.130 1.00 42.89 ? 154 SER C N 1 ATOM 3006 C CA . SER C 1 130 ? 76.310 43.166 4.289 1.00 39.96 ? 154 SER C CA 1 ATOM 3007 C C . SER C 1 130 ? 75.295 42.167 4.823 1.00 34.56 ? 154 SER C C 1 ATOM 3008 O O . SER C 1 130 ? 74.476 42.493 5.681 1.00 41.72 ? 154 SER C O 1 ATOM 3009 C CB . SER C 1 130 ? 77.516 43.210 5.225 1.00 46.29 ? 154 SER C CB 1 ATOM 3010 O OG . SER C 1 130 ? 78.355 44.309 4.917 1.00 54.45 ? 154 SER C OG 1 ATOM 3011 N N . ASN C 1 131 ? 75.363 40.946 4.307 1.00 30.86 ? 155 ASN C N 1 ATOM 3012 C CA . ASN C 1 131 ? 74.567 39.843 4.823 1.00 26.72 ? 155 ASN C CA 1 ATOM 3013 C C . ASN C 1 131 ? 75.122 38.527 4.295 1.00 28.17 ? 155 ASN C C 1 ATOM 3014 O O . ASN C 1 131 ? 76.012 38.521 3.445 1.00 32.77 ? 155 ASN C O 1 ATOM 3015 C CB . ASN C 1 131 ? 73.096 40.000 4.433 1.00 25.60 ? 155 ASN C CB 1 ATOM 3016 C CG . ASN C 1 131 ? 72.151 39.354 5.438 1.00 30.01 ? 155 ASN C CG 1 ATOM 3017 O OD1 . ASN C 1 131 ? 72.488 38.353 6.072 1.00 29.62 ? 155 ASN C OD1 1 ATOM 3018 N ND2 . ASN C 1 131 ? 70.957 39.923 5.581 1.00 29.85 ? 155 ASN C ND2 1 ATOM 3019 N N . GLY C 1 132 ? 74.599 37.416 4.801 1.00 28.04 ? 156 GLY C N 1 ATOM 3020 C CA . GLY C 1 132 ? 75.063 36.101 4.396 1.00 29.35 ? 156 GLY C CA 1 ATOM 3021 C C . GLY C 1 132 ? 74.042 35.041 4.749 1.00 34.46 ? 156 GLY C C 1 ATOM 3022 O O . GLY C 1 132 ? 73.192 35.255 5.613 1.00 41.40 ? 156 GLY C O 1 ATOM 3023 N N . VAL C 1 133 ? 74.117 33.895 4.080 1.00 36.39 ? 157 VAL C N 1 ATOM 3024 C CA . VAL C 1 133 ? 73.086 32.877 4.228 1.00 38.62 ? 157 VAL C CA 1 ATOM 3025 C C . VAL C 1 133 ? 73.487 31.545 3.600 1.00 42.54 ? 157 VAL C C 1 ATOM 3026 O O . VAL C 1 133 ? 74.322 31.500 2.695 1.00 41.17 ? 157 VAL C O 1 ATOM 3027 C CB . VAL C 1 133 ? 71.761 33.366 3.587 1.00 98.57 ? 157 VAL C CB 1 ATOM 3028 C CG1 . VAL C 1 133 ? 71.889 33.440 2.068 1.00 97.88 ? 157 VAL C CG1 1 ATOM 3029 C CG2 . VAL C 1 133 ? 70.592 32.482 3.987 1.00 101.03 ? 157 VAL C CG2 1 ATOM 3030 N N . LEU C 1 134 ? 72.887 30.468 4.099 1.00 44.25 ? 158 LEU C N 1 ATOM 3031 C CA . LEU C 1 134 ? 72.963 29.162 3.458 1.00 44.29 ? 158 LEU C CA 1 ATOM 3032 C C . LEU C 1 134 ? 71.659 28.898 2.714 1.00 45.58 ? 158 LEU C C 1 ATOM 3033 O O . LEU C 1 134 ? 70.573 29.077 3.270 1.00 45.40 ? 158 LEU C O 1 ATOM 3034 C CB . LEU C 1 134 ? 73.223 28.049 4.477 1.00 41.55 ? 158 LEU C CB 1 ATOM 3035 C CG . LEU C 1 134 ? 74.503 28.133 5.306 1.00 33.28 ? 158 LEU C CG 1 ATOM 3036 C CD1 . LEU C 1 134 ? 74.500 27.089 6.401 1.00 33.15 ? 158 LEU C CD1 1 ATOM 3037 C CD2 . LEU C 1 134 ? 75.696 27.934 4.415 1.00 33.43 ? 158 LEU C CD2 1 ATOM 3038 N N . ILE C 1 135 ? 71.770 28.483 1.457 1.00 44.28 ? 159 ILE C N 1 ATOM 3039 C CA . ILE C 1 135 ? 70.600 28.139 0.659 1.00 47.06 ? 159 ILE C CA 1 ATOM 3040 C C . ILE C 1 135 ? 70.845 26.867 -0.126 1.00 49.45 ? 159 ILE C C 1 ATOM 3041 O O . ILE C 1 135 ? 71.974 26.576 -0.522 1.00 53.15 ? 159 ILE C O 1 ATOM 3042 C CB . ILE C 1 135 ? 70.225 29.261 -0.325 1.00 48.62 ? 159 ILE C CB 1 ATOM 3043 C CG1 . ILE C 1 135 ? 71.419 29.602 -1.227 1.00 48.88 ? 159 ILE C CG1 1 ATOM 3044 C CG2 . ILE C 1 135 ? 69.757 30.486 0.435 1.00 49.80 ? 159 ILE C CG2 1 ATOM 3045 C CD1 . ILE C 1 135 ? 71.117 30.634 -2.296 1.00 49.28 ? 159 ILE C CD1 1 ATOM 3046 N N . GLN C 1 136 ? 69.776 26.113 -0.350 1.00 48.18 ? 160 GLN C N 1 ATOM 3047 C CA . GLN C 1 136 ? 69.842 24.940 -1.203 1.00 51.47 ? 160 GLN C CA 1 ATOM 3048 C C . GLN C 1 136 ? 69.717 25.379 -2.651 1.00 48.28 ? 160 GLN C C 1 ATOM 3049 O O . GLN C 1 136 ? 68.861 26.199 -2.984 1.00 45.49 ? 160 GLN C O 1 ATOM 3050 C CB . GLN C 1 136 ? 68.739 23.942 -0.851 1.00 59.01 ? 160 GLN C CB 1 ATOM 3051 C CG . GLN C 1 136 ? 68.778 22.670 -1.681 1.00 61.99 ? 160 GLN C CG 1 ATOM 3052 C CD . GLN C 1 136 ? 67.736 21.661 -1.247 1.00 63.52 ? 160 GLN C CD 1 ATOM 3053 O OE1 . GLN C 1 136 ? 67.734 21.203 -0.104 1.00 60.38 ? 160 GLN C OE1 1 ATOM 3054 N NE2 . GLN C 1 136 ? 66.844 21.303 -2.163 1.00 69.60 ? 160 GLN C NE2 1 ATOM 3055 N N . MET C 1 137 ? 70.584 24.842 -3.502 1.00 51.01 ? 161 MET C N 1 ATOM 3056 C CA . MET C 1 137 ? 70.541 25.137 -4.926 1.00 56.86 ? 161 MET C CA 1 ATOM 3057 C C . MET C 1 137 ? 70.484 23.852 -5.732 1.00 64.45 ? 161 MET C C 1 ATOM 3058 O O . MET C 1 137 ? 70.999 22.817 -5.310 1.00 69.82 ? 161 MET C O 1 ATOM 3059 C CB . MET C 1 137 ? 71.759 25.957 -5.352 1.00 57.30 ? 161 MET C CB 1 ATOM 3060 C CG . MET C 1 137 ? 71.853 27.326 -4.705 1.00 56.71 ? 161 MET C CG 1 ATOM 3061 S SD . MET C 1 137 ? 73.305 28.236 -5.269 1.00 48.85 ? 161 MET C SD 1 ATOM 3062 C CE . MET C 1 137 ? 72.808 28.672 -6.934 1.00 80.86 ? 161 MET C CE 1 ATOM 3063 N N . GLU C 1 138 ? 69.845 23.935 -6.892 1.00 67.29 ? 162 GLU C N 1 ATOM 3064 C CA . GLU C 1 138 ? 69.825 22.849 -7.860 1.00 70.66 ? 162 GLU C CA 1 ATOM 3065 C C . GLU C 1 138 ? 70.829 23.176 -8.955 1.00 64.79 ? 162 GLU C C 1 ATOM 3066 O O . GLU C 1 138 ? 71.308 24.308 -9.039 1.00 57.41 ? 162 GLU C O 1 ATOM 3067 C CB . GLU C 1 138 ? 68.423 22.670 -8.446 1.00 78.32 ? 162 GLU C CB 1 ATOM 3068 C CG . GLU C 1 138 ? 67.373 22.240 -7.432 1.00 84.90 ? 162 GLU C CG 1 ATOM 3069 C CD . GLU C 1 138 ? 67.667 20.883 -6.827 1.00 95.10 ? 162 GLU C CD 1 ATOM 3070 O OE1 . GLU C 1 138 ? 68.187 20.012 -7.556 1.00 102.35 ? 162 GLU C OE1 1 ATOM 3071 O OE2 . GLU C 1 138 ? 67.381 20.687 -5.626 1.00 93.48 ? 162 GLU C OE2 1 ATOM 3072 N N . LYS C 1 139 ? 71.165 22.193 -9.783 1.00 67.61 ? 163 LYS C N 1 ATOM 3073 C CA . LYS C 1 139 ? 72.079 22.441 -10.890 1.00 62.89 ? 163 LYS C CA 1 ATOM 3074 C C . LYS C 1 139 ? 71.484 23.509 -11.798 1.00 56.51 ? 163 LYS C C 1 ATOM 3075 O O . LYS C 1 139 ? 70.297 23.470 -12.119 1.00 51.97 ? 163 LYS C O 1 ATOM 3076 C CB . LYS C 1 139 ? 72.349 21.164 -11.686 1.00 64.97 ? 163 LYS C CB 1 ATOM 3077 C CG . LYS C 1 139 ? 73.536 21.279 -12.635 1.00 66.14 ? 163 LYS C CG 1 ATOM 3078 C CD . LYS C 1 139 ? 73.480 20.245 -13.749 1.00 70.76 ? 163 LYS C CD 1 ATOM 3079 C CE . LYS C 1 139 ? 73.863 18.855 -13.265 1.00 74.06 ? 163 LYS C CE 1 ATOM 3080 N NZ . LYS C 1 139 ? 75.239 18.466 -13.682 1.00 76.22 ? 163 LYS C NZ 1 ATOM 3081 N N . GLY C 1 140 ? 72.305 24.473 -12.194 1.00 56.21 ? 164 GLY C N 1 ATOM 3082 C CA . GLY C 1 140 ? 71.865 25.514 -13.103 1.00 57.14 ? 164 GLY C CA 1 ATOM 3083 C C . GLY C 1 140 ? 71.152 26.666 -12.423 1.00 57.19 ? 164 GLY C C 1 ATOM 3084 O O . GLY C 1 140 ? 70.690 27.590 -13.092 1.00 58.22 ? 164 GLY C O 1 ATOM 3085 N N . ASP C 1 141 ? 71.058 26.624 -11.098 1.00 56.94 ? 165 ASP C N 1 ATOM 3086 C CA . ASP C 1 141 ? 70.490 27.743 -10.356 1.00 56.37 ? 165 ASP C CA 1 ATOM 3087 C C . ASP C 1 141 ? 71.473 28.904 -10.345 1.00 53.66 ? 165 ASP C C 1 ATOM 3088 O O . ASP C 1 141 ? 72.681 28.709 -10.207 1.00 53.73 ? 165 ASP C O 1 ATOM 3089 C CB . ASP C 1 141 ? 70.135 27.345 -8.921 1.00 60.82 ? 165 ASP C CB 1 ATOM 3090 C CG . ASP C 1 141 ? 68.824 26.581 -8.827 1.00 67.13 ? 165 ASP C CG 1 ATOM 3091 O OD1 . ASP C 1 141 ? 68.008 26.653 -9.771 1.00 69.05 ? 165 ASP C OD1 1 ATOM 3092 O OD2 . ASP C 1 141 ? 68.594 25.930 -7.787 1.00 69.51 ? 165 ASP C OD2 1 ATOM 3093 N N . ARG C 1 142 ? 70.938 30.113 -10.469 1.00 52.84 ? 166 ARG C N 1 ATOM 3094 C CA . ARG C 1 142 ? 71.748 31.313 -10.615 1.00 55.83 ? 166 ARG C CA 1 ATOM 3095 C C . ARG C 1 142 ? 71.734 32.147 -9.337 1.00 51.55 ? 166 ARG C C 1 ATOM 3096 O O . ARG C 1 142 ? 70.671 32.462 -8.804 1.00 55.92 ? 166 ARG C O 1 ATOM 3097 C CB . ARG C 1 142 ? 71.228 32.142 -11.793 1.00 63.26 ? 166 ARG C CB 1 ATOM 3098 C CG . ARG C 1 142 ? 71.216 31.388 -13.118 1.00 78.72 ? 166 ARG C CG 1 ATOM 3099 C CD . ARG C 1 142 ? 70.620 32.226 -14.245 1.00 90.45 ? 166 ARG C CD 1 ATOM 3100 N NE . ARG C 1 142 ? 71.377 33.450 -14.502 1.00 97.91 ? 166 ARG C NE 1 ATOM 3101 C CZ . ARG C 1 142 ? 72.461 33.523 -15.270 1.00 105.53 ? 166 ARG C CZ 1 ATOM 3102 N NH1 . ARG C 1 142 ? 72.939 32.439 -15.872 1.00 104.37 ? 166 ARG C NH1 1 ATOM 3103 N NH2 . ARG C 1 142 ? 73.073 34.689 -15.436 1.00 109.03 ? 166 ARG C NH2 1 ATOM 3104 N N . ALA C 1 143 ? 72.923 32.494 -8.851 1.00 43.97 ? 167 ALA C N 1 ATOM 3105 C CA . ALA C 1 143 ? 73.066 33.341 -7.670 1.00 39.20 ? 167 ALA C CA 1 ATOM 3106 C C . ALA C 1 143 ? 73.831 34.608 -8.031 1.00 35.74 ? 167 ALA C C 1 ATOM 3107 O O . ALA C 1 143 ? 74.877 34.547 -8.674 1.00 41.60 ? 167 ALA C O 1 ATOM 3108 C CB . ALA C 1 143 ? 73.772 32.593 -6.553 1.00 36.69 ? 167 ALA C CB 1 ATOM 3109 N N . TYR C 1 144 ? 73.309 35.754 -7.607 1.00 30.80 ? 168 TYR C N 1 ATOM 3110 C CA . TYR C 1 144 ? 73.922 37.039 -7.926 1.00 30.56 ? 168 TYR C CA 1 ATOM 3111 C C . TYR C 1 144 ? 73.341 38.155 -7.059 1.00 30.84 ? 168 TYR C C 1 ATOM 3112 O O . TYR C 1 144 ? 72.333 37.964 -6.379 1.00 32.26 ? 168 TYR C O 1 ATOM 3113 C CB . TYR C 1 144 ? 73.719 37.366 -9.408 1.00 33.24 ? 168 TYR C CB 1 ATOM 3114 C CG . TYR C 1 144 ? 72.264 37.426 -9.808 1.00 34.92 ? 168 TYR C CG 1 ATOM 3115 C CD1 . TYR C 1 144 ? 71.566 36.272 -10.133 1.00 34.33 ? 168 TYR C CD1 1 ATOM 3116 C CD2 . TYR C 1 144 ? 71.586 38.636 -9.852 1.00 39.62 ? 168 TYR C CD2 1 ATOM 3117 C CE1 . TYR C 1 144 ? 70.234 36.320 -10.492 1.00 34.21 ? 168 TYR C CE1 1 ATOM 3118 C CE2 . TYR C 1 144 ? 70.254 38.694 -10.210 1.00 39.79 ? 168 TYR C CE2 1 ATOM 3119 C CZ . TYR C 1 144 ? 69.584 37.532 -10.529 1.00 37.58 ? 168 TYR C CZ 1 ATOM 3120 O OH . TYR C 1 144 ? 68.258 37.584 -10.886 1.00 42.13 ? 168 TYR C OH 1 ATOM 3121 N N . LEU C 1 145 ? 73.986 39.317 -7.091 1.00 29.10 ? 169 LEU C N 1 ATOM 3122 C CA . LEU C 1 145 ? 73.562 40.463 -6.293 1.00 24.46 ? 169 LEU C CA 1 ATOM 3123 C C . LEU C 1 145 ? 72.849 41.499 -7.155 1.00 28.81 ? 169 LEU C C 1 ATOM 3124 O O . LEU C 1 145 ? 73.300 41.822 -8.254 1.00 28.42 ? 169 LEU C O 1 ATOM 3125 C CB . LEU C 1 145 ? 74.761 41.100 -5.592 1.00 22.08 ? 169 LEU C CB 1 ATOM 3126 C CG . LEU C 1 145 ? 75.628 40.149 -4.766 1.00 27.84 ? 169 LEU C CG 1 ATOM 3127 C CD1 . LEU C 1 145 ? 76.774 40.907 -4.119 1.00 27.74 ? 169 LEU C CD1 1 ATOM 3128 C CD2 . LEU C 1 145 ? 74.802 39.429 -3.713 1.00 34.77 ? 169 LEU C CD2 1 ATOM 3129 N N . LYS C 1 146 ? 71.732 42.008 -6.644 1.00 32.00 ? 170 LYS C N 1 ATOM 3130 C CA . LYS C 1 146 ? 70.953 43.031 -7.330 1.00 32.49 ? 170 LYS C CA 1 ATOM 3131 C C . LYS C 1 146 ? 70.787 44.275 -6.482 1.00 34.21 ? 170 LYS C C 1 ATOM 3132 O O . LYS C 1 146 ? 70.532 44.190 -5.282 1.00 34.22 ? 170 LYS C O 1 ATOM 3133 C CB . LYS C 1 146 ? 69.565 42.504 -7.692 1.00 37.18 ? 170 LYS C CB 1 ATOM 3134 C CG . LYS C 1 146 ? 68.841 43.356 -8.723 1.00 43.11 ? 170 LYS C CG 1 ATOM 3135 C CD . LYS C 1 146 ? 67.378 42.966 -8.844 1.00 50.68 ? 170 LYS C CD 1 ATOM 3136 C CE . LYS C 1 146 ? 66.501 44.167 -9.167 1.00 59.83 ? 170 LYS C CE 1 ATOM 3137 N NZ . LYS C 1 146 ? 65.061 43.793 -9.264 1.00 65.23 ? 170 LYS C NZ 1 ATOM 3138 N N . LEU C 1 147 ? 70.908 45.431 -7.125 1.00 38.27 ? 171 LEU C N 1 ATOM 3139 C CA . LEU C 1 147 ? 70.679 46.702 -6.460 1.00 37.50 ? 171 LEU C CA 1 ATOM 3140 C C . LEU C 1 147 ? 69.191 47.020 -6.518 1.00 38.07 ? 171 LEU C C 1 ATOM 3141 O O . LEU C 1 147 ? 68.689 47.538 -7.513 1.00 46.26 ? 171 LEU C O 1 ATOM 3142 C CB . LEU C 1 147 ? 71.502 47.811 -7.112 1.00 39.03 ? 171 LEU C CB 1 ATOM 3143 C CG . LEU C 1 147 ? 71.576 49.123 -6.333 1.00 43.71 ? 171 LEU C CG 1 ATOM 3144 C CD1 . LEU C 1 147 ? 72.421 48.970 -5.078 1.00 46.16 ? 171 LEU C CD1 1 ATOM 3145 C CD2 . LEU C 1 147 ? 72.132 50.225 -7.215 1.00 45.09 ? 171 LEU C CD2 1 ATOM 3146 N N . GLU C 1 148 ? 68.493 46.683 -5.440 1.00 36.66 ? 172 GLU C N 1 ATOM 3147 C CA . GLU C 1 148 ? 67.045 46.830 -5.362 1.00 41.34 ? 172 GLU C CA 1 ATOM 3148 C C . GLU C 1 148 ? 66.622 48.294 -5.269 1.00 40.71 ? 172 GLU C C 1 ATOM 3149 O O . GLU C 1 148 ? 65.495 48.650 -5.613 1.00 38.44 ? 172 GLU C O 1 ATOM 3150 C CB . GLU C 1 148 ? 66.511 46.057 -4.158 1.00 44.10 ? 172 GLU C CB 1 ATOM 3151 C CG . GLU C 1 148 ? 66.850 44.576 -4.197 1.00 57.48 ? 172 GLU C CG 1 ATOM 3152 C CD . GLU C 1 148 ? 65.703 43.713 -4.668 1.00 70.40 ? 172 GLU C CD 1 ATOM 3153 O OE1 . GLU C 1 148 ? 65.255 43.888 -5.822 1.00 77.00 ? 172 GLU C OE1 1 ATOM 3154 O OE2 . GLU C 1 148 ? 65.263 42.841 -3.887 1.00 75.34 ? 172 GLU C OE2 1 ATOM 3155 N N . ARG C 1 149 ? 67.534 49.137 -4.794 1.00 44.39 ? 173 ARG C N 1 ATOM 3156 C CA . ARG C 1 149 ? 67.236 50.545 -4.568 1.00 44.38 ? 173 ARG C CA 1 ATOM 3157 C C . ARG C 1 149 ? 68.493 51.405 -4.586 1.00 38.79 ? 173 ARG C C 1 ATOM 3158 O O . ARG C 1 149 ? 69.585 50.925 -4.291 1.00 38.97 ? 173 ARG C O 1 ATOM 3159 C CB . ARG C 1 149 ? 66.538 50.714 -3.219 1.00 50.96 ? 173 ARG C CB 1 ATOM 3160 C CG . ARG C 1 149 ? 65.947 52.081 -2.994 1.00 49.76 ? 173 ARG C CG 1 ATOM 3161 C CD . ARG C 1 149 ? 65.468 52.240 -1.569 1.00 51.11 ? 173 ARG C CD 1 ATOM 3162 N NE . ARG C 1 149 ? 64.910 53.569 -1.348 1.00 65.03 ? 173 ARG C NE 1 ATOM 3163 C CZ . ARG C 1 149 ? 65.624 54.691 -1.340 1.00 79.33 ? 173 ARG C CZ 1 ATOM 3164 N NH1 . ARG C 1 149 ? 66.936 54.658 -1.544 1.00 79.12 ? 173 ARG C NH1 1 ATOM 3165 N NH2 . ARG C 1 149 ? 65.024 55.854 -1.131 1.00 89.99 ? 173 ARG C NH2 1 ATOM 3166 N N . GLY C 1 150 ? 68.329 52.681 -4.920 1.00 40.78 ? 174 GLY C N 1 ATOM 3167 C CA . GLY C 1 150 ? 69.443 53.610 -4.957 1.00 42.15 ? 174 GLY C CA 1 ATOM 3168 C C . GLY C 1 150 ? 70.388 53.351 -6.113 1.00 41.29 ? 174 GLY C C 1 ATOM 3169 O O . GLY C 1 150 ? 70.078 52.577 -7.018 1.00 40.93 ? 174 GLY C O 1 ATOM 3170 N N . ASN C 1 151 ? 71.546 54.004 -6.074 1.00 42.20 ? 175 ASN C N 1 ATOM 3171 C CA . ASN C 1 151 ? 72.586 53.808 -7.077 1.00 43.49 ? 175 ASN C CA 1 ATOM 3172 C C . ASN C 1 151 ? 73.958 53.708 -6.423 1.00 47.45 ? 175 ASN C C 1 ATOM 3173 O O . ASN C 1 151 ? 74.113 54.001 -5.237 1.00 48.41 ? 175 ASN C O 1 ATOM 3174 C CB . ASN C 1 151 ? 72.577 54.946 -8.096 1.00 44.82 ? 175 ASN C CB 1 ATOM 3175 C CG . ASN C 1 151 ? 72.826 56.299 -7.462 1.00 51.47 ? 175 ASN C CG 1 ATOM 3176 O OD1 . ASN C 1 151 ? 73.902 56.563 -6.927 1.00 55.14 ? 175 ASN C OD1 1 ATOM 3177 N ND2 . ASN C 1 151 ? 71.828 57.170 -7.528 1.00 57.31 ? 175 ASN C ND2 1 ATOM 3178 N N . LEU C 1 152 ? 74.949 53.305 -7.212 1.00 46.81 ? 176 LEU C N 1 ATOM 3179 C CA . LEU C 1 152 ? 76.311 53.143 -6.723 1.00 45.17 ? 176 LEU C CA 1 ATOM 3180 C C . LEU C 1 152 ? 77.234 54.148 -7.393 1.00 51.51 ? 176 LEU C C 1 ATOM 3181 O O . LEU C 1 152 ? 78.348 53.816 -7.798 1.00 53.42 ? 176 LEU C O 1 ATOM 3182 C CB . LEU C 1 152 ? 76.803 51.717 -6.975 1.00 40.51 ? 176 LEU C CB 1 ATOM 3183 C CG . LEU C 1 152 ? 76.046 50.616 -6.230 1.00 38.70 ? 176 LEU C CG 1 ATOM 3184 C CD1 . LEU C 1 152 ? 76.577 49.251 -6.620 1.00 36.02 ? 176 LEU C CD1 1 ATOM 3185 C CD2 . LEU C 1 152 ? 76.138 50.809 -4.723 1.00 39.67 ? 176 LEU C CD2 1 ATOM 3186 N N . MET C 1 153 ? 76.758 55.380 -7.516 1.00 54.39 ? 177 MET C N 1 ATOM 3187 C CA . MET C 1 153 ? 77.598 56.456 -8.009 1.00 56.30 ? 177 MET C CA 1 ATOM 3188 C C . MET C 1 153 ? 78.721 56.679 -7.011 1.00 55.54 ? 177 MET C C 1 ATOM 3189 O O . MET C 1 153 ? 78.515 56.567 -5.802 1.00 56.90 ? 177 MET C O 1 ATOM 3190 C CB . MET C 1 153 ? 76.785 57.733 -8.220 1.00 61.33 ? 177 MET C CB 1 ATOM 3191 C CG . MET C 1 153 ? 75.734 57.588 -9.307 1.00 63.89 ? 177 MET C CG 1 ATOM 3192 S SD . MET C 1 153 ? 76.431 57.158 -10.912 1.00 132.46 ? 177 MET C SD 1 ATOM 3193 C CE . MET C 1 153 ? 75.463 55.697 -11.280 1.00 96.43 ? 177 MET C CE 1 ATOM 3194 N N . GLY C 1 154 ? 79.908 56.983 -7.520 1.00 56.47 ? 178 GLY C N 1 ATOM 3195 C CA . GLY C 1 154 ? 81.094 57.067 -6.690 1.00 55.92 ? 178 GLY C CA 1 ATOM 3196 C C . GLY C 1 154 ? 81.765 55.711 -6.601 1.00 50.87 ? 178 GLY C C 1 ATOM 3197 O O . GLY C 1 154 ? 82.772 55.547 -5.913 1.00 48.20 ? 178 GLY C O 1 ATOM 3198 N N . GLY C 1 155 ? 81.195 54.732 -7.297 1.00 50.31 ? 179 GLY C N 1 ATOM 3199 C CA . GLY C 1 155 ? 81.754 53.395 -7.331 1.00 50.85 ? 179 GLY C CA 1 ATOM 3200 C C . GLY C 1 155 ? 81.385 52.606 -6.095 1.00 45.49 ? 179 GLY C C 1 ATOM 3201 O O . GLY C 1 155 ? 80.802 53.149 -5.155 1.00 45.88 ? 179 GLY C O 1 ATOM 3202 N N . TRP C 1 156 ? 81.724 51.321 -6.101 1.00 39.86 ? 180 TRP C N 1 ATOM 3203 C CA . TRP C 1 156 ? 81.502 50.461 -4.946 1.00 36.08 ? 180 TRP C CA 1 ATOM 3204 C C . TRP C 1 156 ? 82.769 49.663 -4.654 1.00 35.48 ? 180 TRP C C 1 ATOM 3205 O O . TRP C 1 156 ? 82.730 48.452 -4.429 1.00 32.47 ? 180 TRP C O 1 ATOM 3206 C CB . TRP C 1 156 ? 80.296 49.539 -5.169 1.00 30.87 ? 180 TRP C CB 1 ATOM 3207 C CG . TRP C 1 156 ? 80.387 48.657 -6.377 1.00 27.62 ? 180 TRP C CG 1 ATOM 3208 C CD1 . TRP C 1 156 ? 80.650 47.318 -6.398 1.00 27.00 ? 180 TRP C CD1 1 ATOM 3209 C CD2 . TRP C 1 156 ? 80.205 49.050 -7.742 1.00 29.01 ? 180 TRP C CD2 1 ATOM 3210 N NE1 . TRP C 1 156 ? 80.647 46.855 -7.690 1.00 30.73 ? 180 TRP C NE1 1 ATOM 3211 C CE2 . TRP C 1 156 ? 80.377 47.899 -8.535 1.00 31.41 ? 180 TRP C CE2 1 ATOM 3212 C CE3 . TRP C 1 156 ? 79.914 50.264 -8.370 1.00 35.60 ? 180 TRP C CE3 1 ATOM 3213 C CZ2 . TRP C 1 156 ? 80.271 47.926 -9.922 1.00 32.17 ? 180 TRP C CZ2 1 ATOM 3214 C CZ3 . TRP C 1 156 ? 79.809 50.289 -9.749 1.00 39.22 ? 180 TRP C CZ3 1 ATOM 3215 C CH2 . TRP C 1 156 ? 79.986 49.128 -10.509 1.00 36.00 ? 180 TRP C CH2 1 ATOM 3216 N N . LYS C 1 157 ? 83.893 50.373 -4.655 1.00 35.45 ? 181 LYS C N 1 ATOM 3217 C CA . LYS C 1 157 ? 85.192 49.788 -4.359 1.00 36.56 ? 181 LYS C CA 1 ATOM 3218 C C . LYS C 1 157 ? 85.193 49.138 -2.981 1.00 38.16 ? 181 LYS C C 1 ATOM 3219 O O . LYS C 1 157 ? 84.443 49.550 -2.096 1.00 42.60 ? 181 LYS C O 1 ATOM 3220 C CB . LYS C 1 157 ? 86.281 50.858 -4.436 1.00 42.34 ? 181 LYS C CB 1 ATOM 3221 C CG . LYS C 1 157 ? 87.692 50.338 -4.220 1.00 45.83 ? 181 LYS C CG 1 ATOM 3222 C CD . LYS C 1 157 ? 88.716 51.450 -4.384 1.00 50.73 ? 181 LYS C CD 1 ATOM 3223 C CE . LYS C 1 157 ? 90.126 50.951 -4.128 1.00 55.05 ? 181 LYS C CE 1 ATOM 3224 N NZ . LYS C 1 157 ? 91.105 52.070 -4.076 1.00 61.57 ? 181 LYS C NZ 1 ATOM 3225 N N . TYR C 1 158 ? 86.024 48.108 -2.834 1.00 35.18 ? 182 TYR C N 1 ATOM 3226 C CA . TYR C 1 158 ? 86.163 47.319 -1.604 1.00 32.17 ? 182 TYR C CA 1 ATOM 3227 C C . TYR C 1 158 ? 84.990 46.366 -1.377 1.00 28.59 ? 182 TYR C C 1 ATOM 3228 O O . TYR C 1 158 ? 84.964 45.648 -0.377 1.00 27.99 ? 182 TYR C O 1 ATOM 3229 C CB . TYR C 1 158 ? 86.332 48.216 -0.371 1.00 28.56 ? 182 TYR C CB 1 ATOM 3230 C CG . TYR C 1 158 ? 87.536 49.123 -0.426 1.00 32.42 ? 182 TYR C CG 1 ATOM 3231 C CD1 . TYR C 1 158 ? 88.819 48.599 -0.382 1.00 32.44 ? 182 TYR C CD1 1 ATOM 3232 C CD2 . TYR C 1 158 ? 87.393 50.501 -0.502 1.00 38.95 ? 182 TYR C CD2 1 ATOM 3233 C CE1 . TYR C 1 158 ? 89.924 49.415 -0.425 1.00 37.86 ? 182 TYR C CE1 1 ATOM 3234 C CE2 . TYR C 1 158 ? 88.497 51.329 -0.545 1.00 45.90 ? 182 TYR C CE2 1 ATOM 3235 C CZ . TYR C 1 158 ? 89.761 50.779 -0.506 1.00 46.21 ? 182 TYR C CZ 1 ATOM 3236 O OH . TYR C 1 158 ? 90.866 51.599 -0.549 1.00 51.56 ? 182 TYR C OH 1 ATOM 3237 N N . SER C 1 159 ? 84.026 46.351 -2.293 1.00 28.53 ? 183 SER C N 1 ATOM 3238 C CA . SER C 1 159 ? 82.911 45.414 -2.187 1.00 30.78 ? 183 SER C CA 1 ATOM 3239 C C . SER C 1 159 ? 83.413 43.992 -2.415 1.00 27.35 ? 183 SER C C 1 ATOM 3240 O O . SER C 1 159 ? 84.380 43.789 -3.144 1.00 31.69 ? 183 SER C O 1 ATOM 3241 C CB . SER C 1 159 ? 81.805 45.756 -3.187 1.00 36.56 ? 183 SER C CB 1 ATOM 3242 O OG . SER C 1 159 ? 81.216 47.013 -2.896 1.00 40.67 ? 183 SER C OG 1 ATOM 3243 N N . THR C 1 160 ? 82.770 43.016 -1.781 1.00 22.51 ? 184 THR C N 1 ATOM 3244 C CA . THR C 1 160 ? 83.191 41.622 -1.897 1.00 28.56 ? 184 THR C CA 1 ATOM 3245 C C . THR C 1 160 ? 81.991 40.707 -2.090 1.00 29.07 ? 184 THR C C 1 ATOM 3246 O O . THR C 1 160 ? 80.905 40.973 -1.577 1.00 33.49 ? 184 THR C O 1 ATOM 3247 C CB . THR C 1 160 ? 83.968 41.138 -0.651 1.00 33.09 ? 184 THR C CB 1 ATOM 3248 O OG1 . THR C 1 160 ? 83.076 41.026 0.464 1.00 40.02 ? 184 THR C OG1 1 ATOM 3249 C CG2 . THR C 1 160 ? 85.113 42.085 -0.314 1.00 30.64 ? 184 THR C CG2 1 ATOM 3250 N N . PHE C 1 161 ? 82.196 39.630 -2.838 1.00 26.02 ? 185 PHE C N 1 ATOM 3251 C CA . PHE C 1 161 ? 81.166 38.621 -3.034 1.00 24.18 ? 185 PHE C CA 1 ATOM 3252 C C . PHE C 1 161 ? 81.834 37.261 -3.120 1.00 25.97 ? 185 PHE C C 1 ATOM 3253 O O . PHE C 1 161 ? 82.702 37.036 -3.968 1.00 28.76 ? 185 PHE C O 1 ATOM 3254 C CB . PHE C 1 161 ? 80.350 38.902 -4.299 1.00 26.21 ? 185 PHE C CB 1 ATOM 3255 C CG . PHE C 1 161 ? 79.204 37.947 -4.513 1.00 25.86 ? 185 PHE C CG 1 ATOM 3256 C CD1 . PHE C 1 161 ? 78.630 37.277 -3.446 1.00 30.28 ? 185 PHE C CD1 1 ATOM 3257 C CD2 . PHE C 1 161 ? 78.708 37.713 -5.786 1.00 23.34 ? 185 PHE C CD2 1 ATOM 3258 C CE1 . PHE C 1 161 ? 77.581 36.404 -3.641 1.00 29.99 ? 185 PHE C CE1 1 ATOM 3259 C CE2 . PHE C 1 161 ? 77.659 36.838 -5.984 1.00 22.11 ? 185 PHE C CE2 1 ATOM 3260 C CZ . PHE C 1 161 ? 77.096 36.183 -4.910 1.00 21.73 ? 185 PHE C CZ 1 ATOM 3261 N N . SER C 1 162 ? 81.435 36.359 -2.233 1.00 21.48 ? 186 SER C N 1 ATOM 3262 C CA . SER C 1 162 ? 82.046 35.040 -2.164 1.00 25.61 ? 186 SER C CA 1 ATOM 3263 C C . SER C 1 162 ? 81.006 33.983 -1.827 1.00 25.95 ? 186 SER C C 1 ATOM 3264 O O . SER C 1 162 ? 79.929 34.293 -1.317 1.00 22.98 ? 186 SER C O 1 ATOM 3265 C CB . SER C 1 162 ? 83.167 35.025 -1.123 1.00 23.30 ? 186 SER C CB 1 ATOM 3266 O OG . SER C 1 162 ? 82.705 35.509 0.128 1.00 25.29 ? 186 SER C OG 1 ATOM 3267 N N . GLY C 1 163 ? 81.333 32.733 -2.132 1.00 31.07 ? 187 GLY C N 1 ATOM 3268 C CA . GLY C 1 163 ? 80.452 31.622 -1.833 1.00 31.19 ? 187 GLY C CA 1 ATOM 3269 C C . GLY C 1 163 ? 81.127 30.297 -2.111 1.00 32.18 ? 187 GLY C C 1 ATOM 3270 O O . GLY C 1 163 ? 82.106 30.242 -2.855 1.00 34.78 ? 187 GLY C O 1 ATOM 3271 N N . PHE C 1 164 ? 80.601 29.227 -1.523 1.00 31.65 ? 188 PHE C N 1 ATOM 3272 C CA . PHE C 1 164 ? 81.166 27.897 -1.716 1.00 35.33 ? 188 PHE C CA 1 ATOM 3273 C C . PHE C 1 164 ? 80.153 26.809 -1.389 1.00 40.64 ? 188 PHE C C 1 ATOM 3274 O O . PHE C 1 164 ? 79.195 27.037 -0.652 1.00 40.18 ? 188 PHE C O 1 ATOM 3275 C CB . PHE C 1 164 ? 82.411 27.713 -0.848 1.00 27.30 ? 188 PHE C CB 1 ATOM 3276 C CG . PHE C 1 164 ? 82.130 27.733 0.626 1.00 32.90 ? 188 PHE C CG 1 ATOM 3277 C CD1 . PHE C 1 164 ? 82.095 28.927 1.325 1.00 31.00 ? 188 PHE C CD1 1 ATOM 3278 C CD2 . PHE C 1 164 ? 81.904 26.554 1.315 1.00 36.65 ? 188 PHE C CD2 1 ATOM 3279 C CE1 . PHE C 1 164 ? 81.834 28.945 2.683 1.00 30.63 ? 188 PHE C CE1 1 ATOM 3280 C CE2 . PHE C 1 164 ? 81.644 26.566 2.672 1.00 37.32 ? 188 PHE C CE2 1 ATOM 3281 C CZ . PHE C 1 164 ? 81.610 27.764 3.356 1.00 32.88 ? 188 PHE C CZ 1 ATOM 3282 N N . LEU C 1 165 ? 80.373 25.626 -1.951 1.00 45.46 ? 189 LEU C N 1 ATOM 3283 C CA . LEU C 1 165 ? 79.550 24.463 -1.648 1.00 41.11 ? 189 LEU C CA 1 ATOM 3284 C C . LEU C 1 165 ? 79.934 23.893 -0.288 1.00 39.94 ? 189 LEU C C 1 ATOM 3285 O O . LEU C 1 165 ? 81.056 23.427 -0.099 1.00 36.62 ? 189 LEU C O 1 ATOM 3286 C CB . LEU C 1 165 ? 79.711 23.399 -2.736 1.00 44.10 ? 189 LEU C CB 1 ATOM 3287 C CG . LEU C 1 165 ? 79.009 22.060 -2.499 1.00 49.89 ? 189 LEU C CG 1 ATOM 3288 C CD1 . LEU C 1 165 ? 77.499 22.226 -2.536 1.00 49.08 ? 189 LEU C CD1 1 ATOM 3289 C CD2 . LEU C 1 165 ? 79.461 21.041 -3.530 1.00 56.01 ? 189 LEU C CD2 1 ATOM 3290 N N . VAL C 1 166 ? 79.000 23.931 0.657 1.00 41.58 ? 190 VAL C N 1 ATOM 3291 C CA . VAL C 1 166 ? 79.241 23.387 1.990 1.00 43.40 ? 190 VAL C CA 1 ATOM 3292 C C . VAL C 1 166 ? 79.263 21.865 1.913 1.00 49.07 ? 190 VAL C C 1 ATOM 3293 O O . VAL C 1 166 ? 80.223 21.224 2.337 1.00 51.30 ? 190 VAL C O 1 ATOM 3294 C CB . VAL C 1 166 ? 78.169 23.844 2.997 1.00 43.43 ? 190 VAL C CB 1 ATOM 3295 C CG1 . VAL C 1 166 ? 78.501 23.347 4.397 1.00 45.09 ? 190 VAL C CG1 1 ATOM 3296 C CG2 . VAL C 1 166 ? 78.045 25.361 2.989 1.00 40.60 ? 190 VAL C CG2 1 ATOM 3297 N N . PHE C 1 167 ? 78.192 21.294 1.371 1.00 50.70 ? 191 PHE C N 1 ATOM 3298 C CA . PHE C 1 167 ? 78.162 19.875 1.040 1.00 54.31 ? 191 PHE C CA 1 ATOM 3299 C C . PHE C 1 167 ? 77.077 19.609 -0.002 1.00 54.56 ? 191 PHE C C 1 ATOM 3300 O O . PHE C 1 167 ? 76.060 20.302 -0.028 1.00 54.33 ? 191 PHE C O 1 ATOM 3301 C CB . PHE C 1 167 ? 77.930 19.016 2.289 1.00 57.44 ? 191 PHE C CB 1 ATOM 3302 C CG . PHE C 1 167 ? 76.771 19.460 3.138 1.00 59.38 ? 191 PHE C CG 1 ATOM 3303 C CD1 . PHE C 1 167 ? 75.467 19.190 2.759 1.00 62.45 ? 191 PHE C CD1 1 ATOM 3304 C CD2 . PHE C 1 167 ? 76.989 20.123 4.333 1.00 62.27 ? 191 PHE C CD2 1 ATOM 3305 C CE1 . PHE C 1 167 ? 74.403 19.591 3.545 1.00 65.75 ? 191 PHE C CE1 1 ATOM 3306 C CE2 . PHE C 1 167 ? 75.931 20.526 5.124 1.00 64.63 ? 191 PHE C CE2 1 ATOM 3307 C CZ . PHE C 1 167 ? 74.636 20.259 4.730 1.00 67.12 ? 191 PHE C CZ 1 ATOM 3308 N N . PRO C 1 168 ? 77.297 18.613 -0.878 1.00 54.63 ? 192 PRO C N 1 ATOM 3309 C CA . PRO C 1 168 ? 76.314 18.290 -1.918 1.00 56.59 ? 192 PRO C CA 1 ATOM 3310 C C . PRO C 1 168 ? 75.142 17.465 -1.391 1.00 62.37 ? 192 PRO C C 1 ATOM 3311 O O . PRO C 1 168 ? 75.177 17.024 -0.243 1.00 65.17 ? 192 PRO C O 1 ATOM 3312 C CB . PRO C 1 168 ? 77.134 17.492 -2.930 1.00 55.55 ? 192 PRO C CB 1 ATOM 3313 C CG . PRO C 1 168 ? 78.187 16.842 -2.120 1.00 55.58 ? 192 PRO C CG 1 ATOM 3314 C CD . PRO C 1 168 ? 78.506 17.778 -0.989 1.00 53.50 ? 192 PRO C CD 1 ATOM 3315 N N . LEU C 1 169 ? 74.125 17.265 -2.225 1.00 66.54 ? 193 LEU C N 1 ATOM 3316 C CA . LEU C 1 169 ? 72.955 16.473 -1.852 1.00 73.40 ? 193 LEU C CA 1 ATOM 3317 C C . LEU C 1 169 ? 72.516 15.567 -3.001 1.00 81.40 ? 193 LEU C C 1 ATOM 3318 O O . LEU C 1 169 ? 72.691 15.906 -4.172 1.00 83.07 ? 193 LEU C O 1 ATOM 3319 C CB . LEU C 1 169 ? 71.799 17.388 -1.441 1.00 69.19 ? 193 LEU C CB 1 ATOM 3320 C CG . LEU C 1 169 ? 72.035 18.319 -0.251 1.00 63.11 ? 193 LEU C CG 1 ATOM 3321 C CD1 . LEU C 1 169 ? 70.891 19.309 -0.130 1.00 57.25 ? 193 LEU C CD1 1 ATOM 3322 C CD2 . LEU C 1 169 ? 72.191 17.528 1.034 1.00 66.86 ? 193 LEU C CD2 1 ATOM 3323 N N . GLY C 1 170 ? 71.941 14.418 -2.655 1.00 86.90 ? 194 GLY C N 1 ATOM 3324 C CA . GLY C 1 170 ? 71.448 13.473 -3.642 1.00 91.54 ? 194 GLY C CA 1 ATOM 3325 C C . GLY C 1 170 ? 69.952 13.596 -3.856 1.00 94.34 ? 194 GLY C C 1 ATOM 3326 O O . GLY C 1 170 ? 69.343 12.777 -4.545 1.00 99.04 ? 194 GLY C O 1 HETATM 3327 C C1 . NAG D 2 . ? 56.848 44.235 24.509 1.00 76.26 ? 301 NAG A C1 1 HETATM 3328 C C2 . NAG D 2 . ? 55.394 44.697 24.373 1.00 77.13 ? 301 NAG A C2 1 HETATM 3329 C C3 . NAG D 2 . ? 55.331 46.100 23.771 1.00 76.30 ? 301 NAG A C3 1 HETATM 3330 C C4 . NAG D 2 . ? 56.212 47.063 24.557 1.00 75.56 ? 301 NAG A C4 1 HETATM 3331 C C5 . NAG D 2 . ? 57.629 46.510 24.646 1.00 75.04 ? 301 NAG A C5 1 HETATM 3332 C C6 . NAG D 2 . ? 58.544 47.355 25.503 1.00 79.47 ? 301 NAG A C6 1 HETATM 3333 C C7 . NAG D 2 . ? 53.879 42.782 24.067 1.00 72.21 ? 301 NAG A C7 1 HETATM 3334 C C8 . NAG D 2 . ? 53.168 41.916 23.071 1.00 60.83 ? 301 NAG A C8 1 HETATM 3335 N N2 . NAG D 2 . ? 54.633 43.761 23.558 1.00 78.37 ? 301 NAG A N2 1 HETATM 3336 O O3 . NAG D 2 . ? 53.983 46.557 23.786 1.00 78.13 ? 301 NAG A O3 1 HETATM 3337 O O4 . NAG D 2 . ? 56.243 48.337 23.922 1.00 71.02 ? 301 NAG A O4 1 HETATM 3338 O O5 . NAG D 2 . ? 57.594 45.207 25.244 1.00 71.29 ? 301 NAG A O5 1 HETATM 3339 O O6 . NAG D 2 . ? 59.087 46.605 26.581 1.00 81.63 ? 301 NAG A O6 1 HETATM 3340 O O7 . NAG D 2 . ? 53.771 42.603 25.277 1.00 81.58 ? 301 NAG A O7 1 HETATM 3341 C C1 . NAG E 2 . ? 99.493 54.707 20.199 1.00 100.90 ? 301 NAG B C1 1 HETATM 3342 C C2 . NAG E 2 . ? 99.855 55.077 21.649 1.00 97.13 ? 301 NAG B C2 1 HETATM 3343 C C3 . NAG E 2 . ? 98.843 56.073 22.225 1.00 87.03 ? 301 NAG B C3 1 HETATM 3344 C C4 . NAG E 2 . ? 98.657 57.259 21.289 1.00 86.29 ? 301 NAG B C4 1 HETATM 3345 C C5 . NAG E 2 . ? 98.284 56.757 19.901 1.00 92.68 ? 301 NAG B C5 1 HETATM 3346 C C6 . NAG E 2 . ? 98.135 57.864 18.882 1.00 89.55 ? 301 NAG B C6 1 HETATM 3347 C C7 . NAG E 2 . ? 100.558 53.843 23.656 1.00 89.27 ? 301 NAG B C7 1 HETATM 3348 C C8 . NAG E 2 . ? 100.514 52.529 24.378 1.00 75.69 ? 301 NAG B C8 1 HETATM 3349 N N2 . NAG E 2 . ? 99.920 53.885 22.481 1.00 97.29 ? 301 NAG B N2 1 HETATM 3350 O O3 . NAG E 2 . ? 99.298 56.529 23.494 1.00 75.14 ? 301 NAG B O3 1 HETATM 3351 O O4 . NAG E 2 . ? 97.633 58.117 21.779 1.00 82.12 ? 301 NAG B O4 1 HETATM 3352 O O5 . NAG E 2 . ? 99.322 55.891 19.423 1.00 102.63 ? 301 NAG B O5 1 HETATM 3353 O O6 . NAG E 2 . ? 98.158 57.354 17.556 1.00 84.29 ? 301 NAG B O6 1 HETATM 3354 O O7 . NAG E 2 . ? 101.140 54.819 24.118 1.00 96.34 ? 301 NAG B O7 1 HETATM 3355 C C1 . NAG F 2 . ? 73.932 55.305 -15.056 1.00 90.53 ? 301 NAG C C1 1 HETATM 3356 C C2 . NAG F 2 . ? 74.647 56.193 -16.095 1.00 101.60 ? 301 NAG C C2 1 HETATM 3357 C C3 . NAG F 2 . ? 75.113 57.509 -15.467 1.00 89.43 ? 301 NAG C C3 1 HETATM 3358 C C4 . NAG F 2 . ? 73.975 58.195 -14.727 1.00 90.90 ? 301 NAG C C4 1 HETATM 3359 C C5 . NAG F 2 . ? 73.400 57.227 -13.706 1.00 87.14 ? 301 NAG C C5 1 HETATM 3360 C C6 . NAG F 2 . ? 72.245 57.799 -12.918 1.00 85.21 ? 301 NAG C C6 1 HETATM 3361 C C7 . NAG F 2 . ? 75.737 54.866 -17.861 1.00 108.38 ? 301 NAG C C7 1 HETATM 3362 C C8 . NAG F 2 . ? 77.014 54.216 -18.300 1.00 112.37 ? 301 NAG C C8 1 HETATM 3363 N N2 . NAG F 2 . ? 75.778 55.494 -16.682 1.00 107.68 ? 301 NAG C N2 1 HETATM 3364 O O3 . NAG F 2 . ? 75.613 58.364 -16.490 1.00 78.13 ? 301 NAG C O3 1 HETATM 3365 O O4 . NAG F 2 . ? 74.454 59.356 -14.059 1.00 93.60 ? 301 NAG C O4 1 HETATM 3366 O O5 . NAG F 2 . ? 72.913 56.063 -14.386 1.00 93.59 ? 301 NAG C O5 1 HETATM 3367 O O6 . NAG F 2 . ? 71.911 56.960 -11.821 1.00 85.11 ? 301 NAG C O6 1 HETATM 3368 O O7 . NAG F 2 . ? 74.716 54.824 -18.544 1.00 101.80 ? 301 NAG C O7 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . SER A 35 ? 1.3444 0.8774 1.5738 -0.0979 0.0827 0.1536 59 SER A N 2 C CA . SER A 35 ? 1.2962 0.8586 1.5181 -0.1065 0.0789 0.1344 59 SER A CA 3 C C . SER A 35 ? 1.2546 0.8603 1.4773 -0.0915 0.0834 0.1427 59 SER A C 4 O O . SER A 35 ? 1.1858 0.8291 1.4131 -0.0932 0.0847 0.1637 59 SER A O 5 C CB . SER A 35 ? 1.2622 0.8452 1.4862 -0.1323 0.0735 0.1361 59 SER A CB 6 O OG . SER A 35 ? 1.1995 0.8112 1.4166 -0.1390 0.0689 0.1184 59 SER A OG 7 N N . ALA A 36 ? 1.2642 0.8640 1.4811 -0.0770 0.0863 0.1257 60 ALA A N 8 C CA . ALA A 36 ? 1.1979 0.8350 1.4152 -0.0643 0.0908 0.1308 60 ALA A CA 9 C C . ALA A 36 ? 1.1387 0.7989 1.3447 -0.0765 0.0868 0.1123 60 ALA A C 10 O O . ALA A 36 ? 1.1380 0.8233 1.3408 -0.0686 0.0902 0.1108 60 ALA A O 11 C CB . ALA A 36 ? 1.2301 0.8503 1.4499 -0.0408 0.0986 0.1249 60 ALA A CB 12 N N . LYS A 37 ? 1.0550 0.7064 1.2553 -0.0959 0.0790 0.0990 61 LYS A N 13 C CA . LYS A 37 ? 0.9465 0.6184 1.1363 -0.1074 0.0733 0.0818 61 LYS A CA 14 C C . LYS A 37 ? 0.9310 0.6435 1.1274 -0.1200 0.0698 0.0970 61 LYS A C 15 O O . LYS A 37 ? 1.0135 0.7248 1.2168 -0.1349 0.0658 0.1024 61 LYS A O 16 C CB . LYS A 37 ? 0.9023 0.5431 1.0817 -0.1196 0.0655 0.0561 61 LYS A CB 17 C CG . LYS A 37 ? 0.9167 0.5189 1.0851 -0.1064 0.0693 0.0367 61 LYS A CG 18 C CD . LYS A 37 ? 0.9923 0.5635 1.1484 -0.1190 0.0596 0.0123 61 LYS A CD 19 C CE . LYS A 37 ? 1.0923 0.6291 1.2325 -0.1044 0.0639 -0.0102 61 LYS A CE 20 N NZ . LYS A 37 ? 1.1823 0.6973 1.3041 -0.1160 0.0526 -0.0375 61 LYS A NZ 21 N N . VAL A 38 ? 0.8323 0.5810 1.0265 -0.1138 0.0720 0.1035 62 VAL A N 22 C CA . VAL A 38 ? 0.7426 0.5334 0.9411 -0.1222 0.0697 0.1164 62 VAL A CA 23 C C . VAL A 38 ? 0.6821 0.5006 0.8690 -0.1198 0.0671 0.1048 62 VAL A C 24 O O . VAL A 38 ? 0.6175 0.4444 0.7921 -0.1050 0.0695 0.1020 62 VAL A O 25 C CB . VAL A 38 ? 0.6989 0.5113 0.9047 -0.1136 0.0752 0.1450 62 VAL A CB 26 C CG1 . VAL A 38 ? 0.6568 0.5154 0.8634 -0.1203 0.0740 0.1559 62 VAL A CG1 27 C CG2 . VAL A 38 ? 0.7045 0.4883 0.9190 -0.1155 0.0773 0.1574 62 VAL A CG2 28 N N . ALA A 39 ? 0.6930 0.5295 0.8784 -0.1322 0.0601 0.0954 63 ALA A N 29 C CA . ALA A 39 ? 0.6349 0.4972 0.8011 -0.1275 0.0546 0.0813 63 ALA A CA 30 C C . ALA A 39 ? 0.6596 0.5504 0.8318 -0.1393 0.0480 0.0797 63 ALA A C 31 O O . ALA A 39 ? 0.7410 0.6240 0.9295 -0.1544 0.0449 0.0792 63 ALA A O 32 C CB . ALA A 39 ? 0.5993 0.4349 0.7465 -0.1240 0.0516 0.0571 63 ALA A CB 33 N N . PHE A 40 ? 0.6587 0.5829 0.8192 -0.1324 0.0455 0.0782 64 PHE A N 34 C CA . PHE A 40 ? 0.6659 0.6207 0.8315 -0.1394 0.0394 0.0752 64 PHE A CA 35 C C . PHE A 40 ? 0.6433 0.6118 0.7862 -0.1295 0.0332 0.0604 64 PHE A C 36 O O . PHE A 40 ? 0.6097 0.5739 0.7356 -0.1181 0.0357 0.0583 64 PHE A O 37 C CB . PHE A 40 ? 0.6878 0.6773 0.8694 -0.1412 0.0456 0.0970 64 PHE A CB 38 C CG . PHE A 40 ? 0.6905 0.7065 0.8574 -0.1266 0.0488 0.1034 64 PHE A CG 39 C CD1 . PHE A 40 ? 0.7205 0.7295 0.8823 -0.1172 0.0548 0.1151 64 PHE A CD1 40 C CD2 . PHE A 40 ? 0.6881 0.7362 0.8468 -0.1216 0.0450 0.0967 64 PHE A CD2 41 C CE1 . PHE A 40 ? 0.7476 0.7823 0.8959 -0.1052 0.0558 0.1191 64 PHE A CE1 42 C CE2 . PHE A 40 ? 0.7086 0.7781 0.8525 -0.1089 0.0470 0.0998 64 PHE A CE2 43 C CZ . PHE A 40 ? 0.7273 0.7907 0.8659 -0.1018 0.0519 0.1106 64 PHE A CZ 44 N N . SER A 41 ? 0.6151 0.6001 0.7595 -0.1342 0.0248 0.0508 65 SER A N 45 C CA . SER A 41 ? 0.5387 0.5338 0.6621 -0.1245 0.0180 0.0378 65 SER A CA 46 C C . SER A 41 ? 0.5145 0.5435 0.6494 -0.1270 0.0114 0.0361 65 SER A C 47 O O . SER A 41 ? 0.5606 0.5927 0.7123 -0.1387 0.0057 0.0325 65 SER A O 48 C CB . SER A 41 ? 0.5482 0.5104 0.6509 -0.1238 0.0119 0.0201 65 SER A CB 49 O OG . SER A 41 ? 0.5859 0.5474 0.6638 -0.1122 0.0102 0.0132 65 SER A OG 50 N N . ALA A 42 ? 0.4805 0.5358 0.6076 -0.1156 0.0120 0.0376 66 ALA A N 51 C CA . ALA A 42 ? 0.5090 0.6010 0.6480 -0.1140 0.0075 0.0363 66 ALA A CA 52 C C . ALA A 42 ? 0.4735 0.5700 0.5899 -0.0985 0.0013 0.0249 66 ALA A C 53 O O . ALA A 42 ? 0.4538 0.5353 0.5489 -0.0896 0.0040 0.0233 66 ALA A O 54 C CB . ALA A 42 ? 0.5546 0.6812 0.7130 -0.1155 0.0178 0.0536 66 ALA A CB 55 N N . ILE A 43 ? 0.4785 0.5961 0.6015 -0.0953 -0.0074 0.0174 67 ILE A N 56 C CA . ILE A 43 ? 0.4780 0.5974 0.5807 -0.0792 -0.0143 0.0071 67 ILE A CA 57 C C . ILE A 43 ? 0.4827 0.6460 0.6025 -0.0712 -0.0161 0.0071 67 ILE A C 58 O O . ILE A 43 ? 0.5006 0.6933 0.6496 -0.0805 -0.0155 0.0123 67 ILE A O 59 C CB . ILE A 43 ? 0.3863 0.4764 0.4699 -0.0782 -0.0267 -0.0058 67 ILE A CB 60 C CG1 . ILE A 43 ? 0.4649 0.5732 0.5685 -0.0855 -0.0376 -0.0106 67 ILE A CG1 61 C CG2 . ILE A 43 ? 0.4087 0.4585 0.4764 -0.0858 -0.0232 -0.0068 67 ILE A CG2 62 C CD1 . ILE A 43 ? 0.5830 0.6659 0.6654 -0.0838 -0.0514 -0.0231 67 ILE A CD1 63 N N . ARG A 44 ? 0.4928 0.6601 0.5955 -0.0538 -0.0178 0.0009 68 ARG A N 64 C CA . ARG A 44 ? 0.4420 0.6476 0.5572 -0.0411 -0.0205 -0.0026 68 ARG A CA 65 C C . ARG A 44 ? 0.4953 0.6907 0.6026 -0.0331 -0.0361 -0.0141 68 ARG A C 66 O O . ARG A 44 ? 0.4973 0.6607 0.5755 -0.0224 -0.0418 -0.0215 68 ARG A O 67 C CB . ARG A 44 ? 0.3964 0.6099 0.4961 -0.0248 -0.0139 -0.0044 68 ARG A CB 68 C CG . ARG A 44 ? 0.3701 0.6242 0.4822 -0.0086 -0.0146 -0.0091 68 ARG A CG 69 C CD . ARG A 44 ? 0.3293 0.6335 0.4767 -0.0173 -0.0056 0.0018 68 ARG A CD 70 N NE . ARG A 44 ? 0.3618 0.7100 0.5210 0.0002 -0.0026 -0.0023 68 ARG A NE 71 C CZ . ARG A 44 ? 0.4142 0.8146 0.6059 -0.0040 0.0061 0.0062 68 ARG A CZ 72 N NH1 . ARG A 44 ? 0.4300 0.8412 0.6455 -0.0267 0.0118 0.0201 68 ARG A NH1 73 N NH2 . ARG A 44 ? 0.4404 0.8816 0.6413 0.0147 0.0097 0.0008 68 ARG A NH2 74 N N . SER A 45 ? 0.4851 0.7086 0.6188 -0.0389 -0.0433 -0.0147 69 SER A N 75 C CA . SER A 45 ? 0.5023 0.7175 0.6297 -0.0338 -0.0603 -0.0245 69 SER A CA 76 C C . SER A 45 ? 0.4825 0.7308 0.6187 -0.0133 -0.0679 -0.0299 69 SER A C 77 O O . SER A 45 ? 0.4874 0.7366 0.6224 -0.0074 -0.0835 -0.0365 69 SER A O 78 C CB . SER A 45 ? 0.4839 0.7072 0.6342 -0.0540 -0.0672 -0.0243 69 SER A CB 79 O OG . SER A 45 ? 0.4743 0.7483 0.6657 -0.0617 -0.0626 -0.0179 69 SER A OG 80 N N . THR A 46 ? 0.4779 0.7536 0.6217 -0.0008 -0.0573 -0.0276 70 THR A N 81 C CA . THR A 46 ? 0.4437 0.7566 0.6010 0.0204 -0.0624 -0.0331 70 THR A CA 82 C C . THR A 46 ? 0.4095 0.7201 0.5487 0.0422 -0.0541 -0.0372 70 THR A C 83 O O . THR A 46 ? 0.3509 0.6489 0.4769 0.0383 -0.0416 -0.0338 70 THR A O 84 C CB . THR A 46 ? 0.4639 0.8397 0.6679 0.0123 -0.0578 -0.0273 70 THR A CB 85 O OG1 . THR A 46 ? 0.5203 0.9360 0.7388 0.0358 -0.0611 -0.0331 70 THR A OG1 86 C CG2 . THR A 46 ? 0.4597 0.8534 0.6756 -0.0001 -0.0380 -0.0157 70 THR A CG2 87 N N . ASN A 47 ? 0.4540 0.7771 0.5930 0.0661 -0.0625 -0.0454 71 ASN A N 88 C CA . ASN A 47 ? 0.4903 0.8128 0.6142 0.0901 -0.0564 -0.0526 71 ASN A CA 89 C C . ASN A 47 ? 0.4704 0.8468 0.6184 0.0936 -0.0400 -0.0498 71 ASN A C 90 O O . ASN A 47 ? 0.4588 0.8358 0.5922 0.1117 -0.0325 -0.0569 71 ASN A O 91 C CB . ASN A 47 ? 0.6070 0.9282 0.7270 0.1166 -0.0706 -0.0617 71 ASN A CB 92 C CG . ASN A 47 ? 0.7711 1.0396 0.8632 0.1155 -0.0867 -0.0629 71 ASN A CG 93 O OD1 . ASN A 47 ? 0.8276 1.0435 0.8840 0.1202 -0.0873 -0.0659 71 ASN A OD1 94 N ND2 . ASN A 47 ? 0.8015 1.0850 0.9094 0.1084 -0.0999 -0.0604 71 ASN A ND2 95 N N . HIS A 48 ? 0.4225 0.8431 0.6063 0.0758 -0.0343 -0.0397 72 HIS A N 96 C CA . HIS A 48 ? 0.4209 0.9016 0.6326 0.0785 -0.0183 -0.0344 72 HIS A CA 97 C C . HIS A 48 ? 0.4691 0.9434 0.6571 0.0847 -0.0026 -0.0346 72 HIS A C 98 O O . HIS A 48 ? 0.5270 0.9585 0.6881 0.0739 -0.0009 -0.0321 72 HIS A O 99 C CB . HIS A 48 ? 0.4767 0.9905 0.7246 0.0502 -0.0127 -0.0199 72 HIS A CB 100 C CG . HIS A 48 ? 0.5565 1.1000 0.8388 0.0453 -0.0262 -0.0210 72 HIS A CG 101 N ND1 . HIS A 48 ? 0.5996 1.1583 0.8872 0.0689 -0.0393 -0.0321 72 HIS A ND1 102 C CD2 . HIS A 48 ? 0.5536 1.1147 0.8672 0.0193 -0.0299 -0.0130 72 HIS A CD2 103 C CE1 . HIS A 48 ? 0.6104 1.1986 0.9315 0.0578 -0.0512 -0.0307 72 HIS A CE1 104 N NE2 . HIS A 48 ? 0.5511 1.1405 0.8885 0.0267 -0.0458 -0.0201 72 HIS A NE2 105 N N . GLU A 49 ? 0.5140 1.0345 0.7126 0.1030 0.0086 -0.0382 73 GLU A N 106 C CA . GLU A 49 ? 0.5257 1.0453 0.6991 0.1132 0.0222 -0.0417 73 GLU A CA 107 C C . GLU A 49 ? 0.5115 1.0512 0.6922 0.0907 0.0378 -0.0242 73 GLU A C 108 O O . GLU A 49 ? 0.4765 1.0414 0.6887 0.0700 0.0407 -0.0096 73 GLU A O 109 C CB . GLU A 49 ? 0.5736 1.1384 0.7552 0.1422 0.0299 -0.0526 73 GLU A CB 110 C CG . GLU A 49 ? 0.6565 1.1996 0.8290 0.1693 0.0152 -0.0698 73 GLU A CG 111 C CD . GLU A 49 ? 0.7264 1.1997 0.8527 0.1779 0.0070 -0.0824 73 GLU A CD 112 O OE1 . GLU A 49 ? 0.7376 1.1913 0.8394 0.1689 0.0149 -0.0817 73 GLU A OE1 113 O OE2 . GLU A 49 ? 0.8030 1.2418 0.9180 0.1934 -0.0078 -0.0922 73 GLU A OE2 114 N N . PRO A 50 ? 0.5307 1.0577 0.6815 0.0945 0.0469 -0.0256 74 PRO A N 115 C CA . PRO A 50 ? 0.5027 1.0519 0.6570 0.0773 0.0621 -0.0075 74 PRO A CA 116 C C . PRO A 50 ? 0.5043 1.1238 0.6921 0.0772 0.0782 0.0038 74 PRO A C 117 O O . PRO A 50 ? 0.5046 1.1606 0.6967 0.0999 0.0838 -0.0071 74 PRO A O 118 C CB . PRO A 50 ? 0.5152 1.0448 0.6288 0.0896 0.0662 -0.0167 74 PRO A CB 119 C CG . PRO A 50 ? 0.5286 1.0044 0.6172 0.1015 0.0501 -0.0360 74 PRO A CG 120 C CD . PRO A 50 ? 0.5631 1.0497 0.6740 0.1131 0.0415 -0.0435 74 PRO A CD 121 N N . SER A 51 ? 0.4822 1.1200 0.6941 0.0521 0.0863 0.0256 75 SER A N 122 C CA . SER A 51 ? 0.5048 1.2096 0.7497 0.0474 0.1039 0.0403 75 SER A CA 123 C C . SER A 51 ? 0.5935 1.3101 0.8079 0.0597 0.1184 0.0420 75 SER A C 124 O O . SER A 51 ? 0.5928 1.2861 0.7718 0.0673 0.1185 0.0363 75 SER A O 125 C CB . SER A 51 ? 0.4945 1.1931 0.7644 0.0146 0.1062 0.0634 75 SER A CB 126 O OG . SER A 51 ? 0.5105 1.1753 0.7575 0.0021 0.1088 0.0752 75 SER A OG 127 N N . GLU A 52 ? 0.6664 1.4195 0.8939 0.0613 0.1300 0.0492 76 GLU A N 128 C CA . GLU A 52 ? 0.7416 1.5090 0.9404 0.0720 0.1433 0.0519 76 GLU A CA 129 C C . GLU A 52 ? 0.7107 1.4554 0.8903 0.0537 0.1479 0.0716 76 GLU A C 130 O O . GLU A 52 ? 0.7187 1.4595 0.8628 0.0636 0.1525 0.0701 76 GLU A O 131 C CB . GLU A 52 ? 0.7614 1.5748 0.9830 0.0734 0.1560 0.0591 76 GLU A CB 132 C CG . GLU A 52 ? 0.8369 1.6704 1.0285 0.0884 0.1694 0.0586 76 GLU A CG 133 C CD . GLU A 52 ? 0.8731 1.7106 1.0597 0.0686 0.1812 0.0850 76 GLU A CD 134 O OE1 . GLU A 52 ? 0.8888 1.7412 1.1091 0.0480 0.1873 0.1035 76 GLU A OE1 135 O OE2 . GLU A 52 ? 0.8841 1.7089 1.0332 0.0739 0.1837 0.0869 76 GLU A OE2 136 N N . MET A 53 ? 0.7378 1.4659 0.9409 0.0278 0.1451 0.0891 77 MET A N 137 C CA . MET A 53 ? 0.7936 1.4939 0.9817 0.0110 0.1474 0.1085 77 MET A CA 138 C C . MET A 53 ? 0.8343 1.5001 0.9907 0.0181 0.1382 0.0982 77 MET A C 139 O O . MET A 53 ? 0.8305 1.4836 0.9587 0.0181 0.1409 0.1066 77 MET A O 140 C CB . MET A 53 ? 0.7472 1.4312 0.9689 -0.0169 0.1450 0.1258 77 MET A CB 141 C CG . MET A 53 ? 0.7193 1.3688 0.9274 -0.0327 0.1461 0.1456 77 MET A CG 142 S SD . MET A 53 ? 2.2314 2.8565 2.4774 -0.0641 0.1439 0.1632 77 MET A SD 143 C CE . MET A 53 ? 0.8063 1.4757 1.0788 -0.0709 0.1588 0.1756 77 MET A CE 144 N N . SER A 54 ? 0.8974 1.5498 1.0591 0.0244 0.1269 0.0801 78 SER A N 145 C CA . SER A 54 ? 0.9611 1.5679 1.0918 0.0299 0.1151 0.0672 78 SER A CA 146 C C . SER A 54 ? 1.0053 1.6197 1.0972 0.0514 0.1188 0.0536 78 SER A C 147 O O . SER A 54 ? 1.0234 1.6105 1.0860 0.0503 0.1148 0.0540 78 SER A O 148 C CB . SER A 54 ? 1.0184 1.5890 1.1538 0.0344 0.0971 0.0471 78 SER A CB 149 O OG . SER A 54 ? 1.0429 1.6162 1.2151 0.0170 0.0934 0.0560 78 SER A OG 150 N N . ASN A 55 ? 1.0241 1.6768 1.1166 0.0717 0.1260 0.0404 79 ASN A N 151 C CA . ASN A 55 ? 1.0332 1.6900 1.0875 0.0928 0.1285 0.0248 79 ASN A CA 152 C C . ASN A 55 ? 0.9562 1.6196 0.9890 0.0857 0.1359 0.0424 79 ASN A C 153 O O . ASN A 55 ? 0.9580 1.6117 0.9541 0.0968 0.1332 0.0311 79 ASN A O 154 C CB . ASN A 55 ? 1.1577 1.8448 1.2193 0.1135 0.1330 0.0102 79 ASN A CB 155 C CG . ASN A 55 ? 1.2599 1.9297 1.3165 0.1351 0.1226 -0.0187 79 ASN A CG 156 O OD1 . ASN A 55 ? 1.2358 1.8544 1.2703 0.1349 0.1085 -0.0309 79 ASN A OD1 157 N ND2 . ASN A 55 ? 1.3423 2.0363 1.4163 0.1512 0.1242 -0.0285 79 ASN A ND2 158 N N . ARG A 56 ? 0.8757 1.5533 0.9308 0.0674 0.1440 0.0693 80 ARG A N 159 C CA . ARG A 56 ? 0.8682 1.5536 0.9048 0.0622 0.1512 0.0882 80 ARG A CA 160 C C . ARG A 56 ? 0.8051 1.4571 0.8289 0.0489 0.1443 0.1012 80 ARG A C 161 O O . ARG A 56 ? 0.8466 1.4939 0.8380 0.0556 0.1418 0.1000 80 ARG A O 162 C CB . ARG A 56 ? 0.9268 1.6381 0.9915 0.0487 0.1634 0.1120 80 ARG A CB 163 C CG . ARG A 56 ? 0.9889 1.7417 1.0616 0.0625 0.1735 0.1038 80 ARG A CG 164 C CD . ARG A 56 ? 1.0194 1.7982 1.1164 0.0472 0.1872 0.1292 80 ARG A CD 165 N NE . ARG A 56 ? 0.9814 1.7440 1.1153 0.0229 0.1847 0.1447 80 ARG A NE 166 C CZ . ARG A 56 ? 0.9551 1.6879 1.0897 0.0042 0.1823 0.1646 80 ARG A CZ 167 N NH1 . ARG A 56 ? 0.8993 1.6186 1.0014 0.0074 0.1820 0.1734 80 ARG A NH1 168 N NH2 . ARG A 56 ? 0.9691 1.6850 1.1374 -0.0170 0.1795 0.1750 80 ARG A NH2 169 N N . THR A 57 ? 0.7217 1.3513 0.7721 0.0305 0.1404 0.1125 81 THR A N 170 C CA . THR A 57 ? 0.6665 1.2642 0.7115 0.0166 0.1351 0.1284 81 THR A CA 171 C C . THR A 57 ? 0.5692 1.1394 0.5955 0.0215 0.1238 0.1111 81 THR A C 172 O O . THR A 57 ? 0.5100 1.0580 0.5236 0.0152 0.1189 0.1206 81 THR A O 173 C CB . THR A 57 ? 0.7095 1.2899 0.7912 -0.0059 0.1357 0.1472 81 THR A CB 174 O OG1 . THR A 57 ? 0.7003 1.2705 0.8033 -0.0091 0.1288 0.1325 81 THR A OG1 175 C CG2 . THR A 57 ? 0.7742 1.3805 0.8768 -0.0133 0.1472 0.1634 81 THR A CG2 176 N N . MET A 58 ? 0.5359 1.0992 0.5608 0.0330 0.1169 0.0848 82 MET A N 177 C CA . MET A 58 ? 0.4949 1.0093 0.5013 0.0369 0.0994 0.0633 82 MET A CA 178 C C . MET A 58 ? 0.4967 0.9684 0.5202 0.0187 0.0902 0.0721 82 MET A C 179 O O . MET A 58 ? 0.5332 0.9662 0.5420 0.0179 0.0780 0.0613 82 MET A O 180 C CB . MET A 58 ? 0.5404 1.0521 0.5090 0.0458 0.0958 0.0566 82 MET A CB 181 C CG . MET A 58 ? 0.6011 1.1512 0.5459 0.0654 0.1040 0.0438 82 MET A CG 182 S SD . MET A 58 ? 2.7378 3.2892 2.6378 0.0726 0.0987 0.0387 82 MET A SD 183 C CE . MET A 58 ? 2.0167 2.5991 1.8944 0.0959 0.1046 0.0176 82 MET A CE 184 N N . ILE A 59 ? 0.4610 0.9402 0.5161 0.0037 0.0963 0.0906 83 ILE A N 185 C CA . ILE A 59 ? 0.4185 0.8572 0.4898 -0.0127 0.0884 0.0972 83 ILE A CA 186 C C . ILE A 59 ? 0.3517 0.7690 0.4356 -0.0125 0.0781 0.0790 83 ILE A C 187 O O . ILE A 59 ? 0.3146 0.7587 0.4137 -0.0071 0.0807 0.0728 83 ILE A O 188 C CB . ILE A 59 ? 0.3841 0.8346 0.4822 -0.0306 0.0987 0.1254 83 ILE A CB 189 C CG1 . ILE A 59 ? 0.4228 0.8871 0.5051 -0.0304 0.1073 0.1467 83 ILE A CG1 190 C CG2 . ILE A 59 ? 0.3084 0.7155 0.4241 -0.0464 0.0904 0.1279 83 ILE A CG2 191 C CD1 . ILE A 59 ? 0.4799 0.9496 0.5837 -0.0450 0.1168 0.1738 83 ILE A CD1 192 N N . ILE A 60 ? 0.3331 0.7046 0.4106 -0.0176 0.0665 0.0711 84 ILE A N 193 C CA . ILE A 60 ? 0.3511 0.6974 0.4358 -0.0180 0.0558 0.0558 84 ILE A CA 194 C C . ILE A 60 ? 0.4153 0.7564 0.5295 -0.0357 0.0561 0.0675 84 ILE A C 195 O O . ILE A 60 ? 0.4545 0.7732 0.5729 -0.0485 0.0570 0.0796 84 ILE A O 196 C CB . ILE A 60 ? 0.3460 0.6461 0.4078 -0.0157 0.0446 0.0420 84 ILE A CB 197 C CG1 . ILE A 60 ? 0.3838 0.6868 0.4180 0.0004 0.0425 0.0271 84 ILE A CG1 198 C CG2 . ILE A 60 ? 0.3225 0.5946 0.3892 -0.0172 0.0341 0.0299 84 ILE A CG2 199 C CD1 . ILE A 60 ? 0.4088 0.6740 0.4222 -0.0011 0.0344 0.0190 84 ILE A CD1 200 N N . TYR A 61 ? 0.4770 0.8390 0.6123 -0.0357 0.0545 0.0629 85 TYR A N 201 C CA . TYR A 61 ? 0.5760 0.9391 0.7420 -0.0538 0.0539 0.0722 85 TYR A CA 202 C C . TYR A 61 ? 0.4833 0.8121 0.6492 -0.0568 0.0391 0.0575 85 TYR A C 203 O O . TYR A 61 ? 0.4477 0.7709 0.6007 -0.0427 0.0303 0.0410 85 TYR A O 204 C CB . TYR A 61 ? 0.7336 1.1503 0.9284 -0.0550 0.0621 0.0789 85 TYR A CB 205 C CG . TYR A 61 ? 0.8999 1.3531 1.0955 -0.0546 0.0790 0.0969 85 TYR A CG 206 C CD1 . TYR A 61 ? 0.9326 1.3855 1.1424 -0.0728 0.0883 0.1204 85 TYR A CD1 207 C CD2 . TYR A 61 ? 0.9552 1.4413 1.1350 -0.0351 0.0858 0.0907 85 TYR A CD2 208 C CE1 . TYR A 61 ? 0.9279 1.4138 1.1352 -0.0720 0.1040 0.1395 85 TYR A CE1 209 C CE2 . TYR A 61 ? 0.9599 1.4811 1.1361 -0.0340 0.1017 0.1074 85 TYR A CE2 210 C CZ . TYR A 61 ? 0.9361 1.4579 1.1257 -0.0527 0.1108 0.1329 85 TYR A CZ 211 O OH . TYR A 61 ? 0.9411 1.4806 1.1181 -0.0495 0.1224 0.1477 85 TYR A OH 212 N N . PHE A 62 ? 0.4207 0.7252 0.5994 -0.0746 0.0365 0.0639 86 PHE A N 213 C CA . PHE A 62 ? 0.3827 0.6554 0.5599 -0.0794 0.0230 0.0510 86 PHE A CA 214 C C . PHE A 62 ? 0.4072 0.6968 0.6182 -0.0961 0.0203 0.0549 86 PHE A C 215 O O . PHE A 62 ? 0.4384 0.7261 0.6675 -0.1130 0.0272 0.0690 86 PHE A O 216 C CB . PHE A 62 ? 0.3472 0.5709 0.5054 -0.0848 0.0211 0.0507 86 PHE A CB 217 C CG . PHE A 62 ? 0.3127 0.5209 0.4413 -0.0714 0.0226 0.0465 86 PHE A CG 218 C CD1 . PHE A 62 ? 0.2966 0.5162 0.4206 -0.0694 0.0326 0.0588 86 PHE A CD1 219 C CD2 . PHE A 62 ? 0.3528 0.5356 0.4582 -0.0617 0.0134 0.0309 86 PHE A CD2 220 C CE1 . PHE A 62 ? 0.2588 0.4666 0.3575 -0.0587 0.0321 0.0534 86 PHE A CE1 221 C CE2 . PHE A 62 ? 0.3298 0.4983 0.4109 -0.0522 0.0144 0.0266 86 PHE A CE2 222 C CZ . PHE A 62 ? 0.2729 0.4550 0.3516 -0.0511 0.0231 0.0368 86 PHE A CZ 223 N N . ASP A 63 ? 0.4342 0.7398 0.6545 -0.0915 0.0094 0.0426 87 ASP A N 224 C CA . ASP A 63 ? 0.4805 0.8133 0.7373 -0.1070 0.0055 0.0448 87 ASP A CA 225 C C . ASP A 63 ? 0.5301 0.8251 0.7899 -0.1250 -0.0046 0.0399 87 ASP A C 226 O O . ASP A 63 ? 0.6130 0.9176 0.9026 -0.1454 -0.0033 0.0472 87 ASP A O 227 C CB . ASP A 63 ? 0.4556 0.8251 0.7233 -0.0934 -0.0039 0.0332 87 ASP A CB 228 C CG . ASP A 63 ? 0.4938 0.8305 0.7343 -0.0807 -0.0205 0.0157 87 ASP A CG 229 O OD1 . ASP A 63 ? 0.4646 0.7866 0.7105 -0.0913 -0.0337 0.0085 87 ASP A OD1 230 O OD2 . ASP A 63 ? 0.5473 0.8723 0.7600 -0.0605 -0.0206 0.0093 87 ASP A OD2 231 N N . GLN A 64 ? 0.5091 0.7606 0.7378 -0.1181 -0.0140 0.0274 88 GLN A N 232 C CA . GLN A 64 ? 0.5464 0.7622 0.7723 -0.1319 -0.0243 0.0189 88 GLN A CA 233 C C . GLN A 64 ? 0.5368 0.7063 0.7445 -0.1374 -0.0169 0.0234 88 GLN A C 234 O O . GLN A 64 ? 0.5720 0.7211 0.7520 -0.1245 -0.0126 0.0228 88 GLN A O 235 C CB . GLN A 64 ? 0.5712 0.7735 0.7748 -0.1203 -0.0408 0.0013 88 GLN A CB 236 C CG . GLN A 64 ? 0.7003 0.8690 0.8969 -0.1332 -0.0525 -0.0096 88 GLN A CG 237 C CD . GLN A 64 ? 0.8135 0.9763 0.9893 -0.1221 -0.0699 -0.0248 88 GLN A CD 238 O OE1 . GLN A 64 ? 0.7977 0.9684 0.9573 -0.1028 -0.0721 -0.0267 88 GLN A OE1 239 N NE2 . GLN A 64 ? 0.9605 1.1078 1.1352 -0.1338 -0.0828 -0.0357 88 GLN A NE2 240 N N . VAL A 65 ? 0.4866 0.6399 0.7118 -0.1566 -0.0157 0.0273 89 VAL A N 241 C CA . VAL A 65 ? 0.4534 0.5637 0.6665 -0.1613 -0.0084 0.0319 89 VAL A CA 242 C C . VAL A 65 ? 0.4980 0.5674 0.6962 -0.1671 -0.0191 0.0151 89 VAL A C 243 O O . VAL A 65 ? 0.5190 0.5866 0.7350 -0.1827 -0.0275 0.0083 89 VAL A O 244 C CB . VAL A 65 ? 0.4563 0.5710 0.6981 -0.1774 0.0028 0.0506 89 VAL A CB 245 C CG1 . VAL A 65 ? 0.5075 0.5759 0.7376 -0.1794 0.0095 0.0553 89 VAL A CG1 246 C CG2 . VAL A 65 ? 0.4082 0.5652 0.6609 -0.1713 0.0147 0.0684 89 VAL A CG2 247 N N . LEU A 66 ? 0.5480 0.5864 0.7135 -0.1550 -0.0186 0.0078 90 LEU A N 248 C CA . LEU A 66 ? 0.5892 0.5887 0.7343 -0.1577 -0.0263 -0.0083 90 LEU A CA 249 C C . LEU A 66 ? 0.6083 0.5733 0.7603 -0.1683 -0.0187 -0.0053 90 LEU A C 250 O O . LEU A 66 ? 0.6773 0.6162 0.8268 -0.1780 -0.0258 -0.0185 90 LEU A O 251 C CB . LEU A 66 ? 0.6348 0.6165 0.7431 -0.1411 -0.0263 -0.0155 90 LEU A CB 252 C CG . LEU A 66 ? 0.6553 0.6617 0.7521 -0.1279 -0.0333 -0.0184 90 LEU A CG 253 C CD1 . LEU A 66 ? 0.6934 0.6748 0.7545 -0.1148 -0.0316 -0.0234 90 LEU A CD1 254 C CD2 . LEU A 66 ? 0.7141 0.7365 0.8171 -0.1316 -0.0496 -0.0293 90 LEU A CD2 255 N N . VAL A 67 ? 0.5482 0.5124 0.7075 -0.1652 -0.0050 0.0116 91 VAL A N 256 C CA . VAL A 67 ? 0.5996 0.5297 0.7650 -0.1709 0.0033 0.0172 91 VAL A CA 257 C C . VAL A 67 ? 0.5941 0.5413 0.7846 -0.1753 0.0143 0.0411 91 VAL A C 258 O O . VAL A 67 ? 0.5937 0.5723 0.7837 -0.1664 0.0195 0.0531 91 VAL A O 259 C CB . VAL A 67 ? 0.6716 0.5730 0.8098 -0.1567 0.0095 0.0127 91 VAL A CB 260 C CG1 . VAL A 67 ? 0.7196 0.5879 0.8666 -0.1591 0.0187 0.0196 91 VAL A CG1 261 C CG2 . VAL A 67 ? 0.7112 0.5943 0.8215 -0.1527 0.0006 -0.0090 91 VAL A CG2 262 N N . ASN A 68 ? 0.6181 0.5431 0.8286 -0.1890 0.0177 0.0480 92 ASN A N 263 C CA . ASN A 68 ? 0.6412 0.5754 0.8723 -0.1928 0.0293 0.0737 92 ASN A CA 264 C C . ASN A 68 ? 0.6488 0.5407 0.8827 -0.1994 0.0331 0.0759 92 ASN A C 265 O O . ASN A 68 ? 0.6773 0.5713 0.9257 -0.2120 0.0349 0.0836 92 ASN A O 266 C CB . ASN A 68 ? 0.6351 0.6150 0.8909 -0.2039 0.0294 0.0851 92 ASN A CB 267 C CG . ASN A 68 ? 0.7004 0.6981 0.9609 -0.1998 0.0430 0.1100 92 ASN A CG 268 O OD1 . ASN A 68 ? 0.7014 0.6816 0.9492 -0.1884 0.0502 0.1206 92 ASN A OD1 269 N ND2 . ASN A 68 ? 0.7407 0.7750 1.0191 -0.2083 0.0461 0.1191 92 ASN A ND2 270 N N . ILE A 69 ? 0.6348 0.4888 0.8520 -0.1890 0.0349 0.0681 93 ILE A N 271 C CA . ILE A 69 ? 0.6558 0.4677 0.8705 -0.1900 0.0380 0.0691 93 ILE A CA 272 C C . ILE A 69 ? 0.7023 0.5208 0.9257 -0.1853 0.0484 0.0960 93 ILE A C 273 O O . ILE A 69 ? 0.6921 0.5321 0.9124 -0.1721 0.0546 0.1102 93 ILE A O 274 C CB . ILE A 69 ? 0.6266 0.4019 0.8222 -0.1763 0.0388 0.0542 93 ILE A CB 275 C CG1 . ILE A 69 ? 0.6249 0.3754 0.8090 -0.1845 0.0281 0.0264 93 ILE A CG1 276 C CG2 . ILE A 69 ? 0.6429 0.3858 0.8389 -0.1673 0.0466 0.0651 93 ILE A CG2 277 C CD1 . ILE A 69 ? 0.6044 0.3846 0.7907 -0.1946 0.0175 0.0145 93 ILE A CD1 278 N N . GLY A 70 ? 0.7833 0.5829 1.0163 -0.1968 0.0495 0.1027 94 GLY A N 279 C CA . GLY A 70 ? 0.8182 0.6224 1.0591 -0.1945 0.0587 0.1289 94 GLY A CA 280 C C . GLY A 70 ? 0.8353 0.6862 1.0895 -0.2040 0.0619 0.1428 94 GLY A C 281 O O . GLY A 70 ? 0.8548 0.7132 1.1154 -0.2052 0.0696 0.1646 94 GLY A O 282 N N . ASN A 71 ? 0.8493 0.7316 1.1076 -0.2100 0.0561 0.1299 95 ASN A N 283 C CA . ASN A 71 ? 0.8960 0.8282 1.1683 -0.2165 0.0591 0.1400 95 ASN A CA 284 C C . ASN A 71 ? 0.8940 0.8530 1.1614 -0.2034 0.0693 0.1641 95 ASN A C 285 O O . ASN A 71 ? 0.9401 0.9240 1.2177 -0.2096 0.0762 0.1799 95 ASN A O 286 C CB . ASN A 71 ? 1.0152 0.9465 1.3071 -0.2380 0.0592 0.1412 95 ASN A CB 287 C CG . ASN A 71 ? 1.1225 1.1035 1.4328 -0.2477 0.0565 0.1365 95 ASN A CG 288 O OD1 . ASN A 71 ? 1.1505 1.1346 1.4675 -0.2564 0.0455 0.1162 95 ASN A OD1 289 N ND2 . ASN A 71 ? 1.1617 1.1834 1.4796 -0.2450 0.0660 0.1550 95 ASN A ND2 290 N N . ASN A 72 ? 0.8525 0.8074 1.1036 -0.1856 0.0702 0.1660 96 ASN A N 291 C CA . ASN A 72 ? 0.8208 0.8000 1.0637 -0.1717 0.0777 0.1868 96 ASN A CA 292 C C . ASN A 72 ? 0.7491 0.7771 0.9872 -0.1651 0.0777 0.1855 96 ASN A C 293 O O . ASN A 72 ? 0.7040 0.7583 0.9329 -0.1541 0.0831 0.2005 96 ASN A O 294 C CB . ASN A 72 ? 0.8337 0.7857 1.0639 -0.1558 0.0783 0.1905 96 ASN A CB 295 C CG . ASN A 72 ? 0.8884 0.7942 1.1229 -0.1585 0.0797 0.1955 96 ASN A CG 296 O OD1 . ASN A 72 ? 0.9319 0.8352 1.1719 -0.1618 0.0851 0.2147 96 ASN A OD1 297 N ND2 . ASN A 72 ? 0.8798 0.7479 1.1110 -0.1567 0.0753 0.1783 96 ASN A ND2 298 N N . PHE A 73 ? 0.7461 0.7856 0.9893 -0.1712 0.0707 0.1671 97 PHE A N 299 C CA . PHE A 73 ? 0.7578 0.8432 0.9985 -0.1655 0.0699 0.1643 97 PHE A CA 300 C C . PHE A 73 ? 0.8183 0.9394 1.0778 -0.1764 0.0721 0.1667 97 PHE A C 301 O O . PHE A 73 ? 0.8395 0.9538 1.1160 -0.1908 0.0664 0.1559 97 PHE A O 302 C CB . PHE A 73 ? 0.6660 0.7440 0.8981 -0.1619 0.0598 0.1423 97 PHE A CB 303 C CG . PHE A 73 ? 0.5609 0.6781 0.7808 -0.1507 0.0568 0.1327 97 PHE A CG 304 C CD1 . PHE A 73 ? 0.5334 0.6656 0.7320 -0.1341 0.0600 0.1359 97 PHE A CD1 305 C CD2 . PHE A 73 ? 0.5194 0.6582 0.7499 -0.1561 0.0500 0.1199 97 PHE A CD2 306 C CE1 . PHE A 73 ? 0.4895 0.6527 0.6760 -0.1233 0.0571 0.1254 97 PHE A CE1 307 C CE2 . PHE A 73 ? 0.4653 0.6371 0.6848 -0.1433 0.0474 0.1109 97 PHE A CE2 308 C CZ . PHE A 73 ? 0.4700 0.6517 0.6669 -0.1269 0.0513 0.1132 97 PHE A CZ 309 N N . ASP A 74 ? 0.8528 1.0134 1.1088 -0.1690 0.0801 0.1799 98 ASP A N 310 C CA . ASP A 74 ? 0.8817 1.0821 1.1554 -0.1764 0.0844 0.1830 98 ASP A CA 311 C C . ASP A 74 ? 0.8613 1.1006 1.1375 -0.1703 0.0791 0.1687 98 ASP A C 312 O O . ASP A 74 ? 0.8603 1.1261 1.1200 -0.1550 0.0821 0.1699 98 ASP A O 313 C CB . ASP A 74 ? 0.8882 1.1119 1.1550 -0.1705 0.0967 0.2042 98 ASP A CB 314 C CG . ASP A 74 ? 0.9138 1.1787 1.1999 -0.1783 0.1034 0.2084 98 ASP A CG 315 O OD1 . ASP A 74 ? 0.9344 1.2057 1.2437 -0.1912 0.0982 0.1966 98 ASP A OD1 316 O OD2 . ASP A 74 ? 0.8971 1.1898 1.1752 -0.1714 0.1134 0.2232 98 ASP A OD2 317 N N . SER A 75 ? 0.9050 1.1481 1.2014 -0.1817 0.0701 0.1545 99 SER A N 318 C CA . SER A 75 ? 0.9762 1.2542 1.2764 -0.1752 0.0622 0.1399 99 SER A CA 319 C C . SER A 75 ? 1.0214 1.3553 1.3262 -0.1653 0.0715 0.1460 99 SER A C 320 O O . SER A 75 ? 1.0169 1.3722 1.3062 -0.1475 0.0684 0.1341 99 SER A O 321 C CB . SER A 75 ? 1.0093 1.2821 1.3309 -0.1892 0.0490 0.1239 99 SER A CB 322 O OG . SER A 75 ? 1.0505 1.3303 1.3980 -0.2058 0.0539 0.1311 99 SER A OG 323 N N . GLU A 76 ? 1.0560 1.4029 1.3736 -0.1726 0.0820 0.1595 100 GLU A N 324 C CA . GLU A 76 ? 1.0323 1.4308 1.3548 -0.1638 0.0920 0.1648 100 GLU A CA 325 C C . GLU A 76 ? 0.9154 1.3278 1.2066 -0.1431 0.0991 0.1696 100 GLU A C 326 O O . GLU A 76 ? 0.8643 1.3161 1.1505 -0.1281 0.1010 0.1617 100 GLU A O 327 C CB . GLU A 76 ? 1.1002 1.5047 1.4404 -0.1780 0.1030 0.1808 100 GLU A CB 328 C CG . GLU A 76 ? 1.1066 1.5670 1.4620 -0.1735 0.1119 0.1829 100 GLU A CG 329 C CD . GLU A 76 ? 1.0903 1.5574 1.4554 -0.1853 0.1261 0.2030 100 GLU A CD 330 O OE1 . GLU A 76 ? 1.2176 1.6711 1.6083 -0.2064 0.1254 0.2056 100 GLU A OE1 331 O OE2 . GLU A 76 ? 0.9894 1.4753 1.3356 -0.1738 0.1377 0.2158 100 GLU A OE2 332 N N . ARG A 77 ? 0.8645 1.2446 1.1346 -0.1412 0.1020 0.1812 101 ARG A N 333 C CA . ARG A 77 ? 0.8212 1.2122 1.0604 -0.1230 0.1069 0.1856 101 ARG A CA 334 C C . ARG A 77 ? 0.7405 1.1067 0.9604 -0.1151 0.0981 0.1749 101 ARG A C 335 O O . ARG A 77 ? 0.6970 1.0700 0.8909 -0.1009 0.1001 0.1756 101 ARG A O 336 C CB . ARG A 77 ? 0.8601 1.2397 1.0887 -0.1246 0.1159 0.2078 101 ARG A CB 337 C CG . ARG A 77 ? 0.9043 1.3073 1.1509 -0.1341 0.1264 0.2210 101 ARG A CG 338 C CD . ARG A 77 ? 0.9222 1.3107 1.1578 -0.1362 0.1343 0.2445 101 ARG A CD 339 N NE . ARG A 77 ? 0.9616 1.3811 1.2079 -0.1419 0.1466 0.2583 101 ARG A NE 340 C CZ . ARG A 77 ? 0.9636 1.3813 1.2391 -0.1610 0.1507 0.2635 101 ARG A CZ 341 N NH1 . ARG A 77 ? 0.9789 1.3640 1.2743 -0.1759 0.1423 0.2545 101 ARG A NH1 342 N NH2 . ARG A 77 ? 0.9295 1.3786 1.2137 -0.1658 0.1633 0.2770 101 ARG A NH2 343 N N . SER A 78 ? 0.7302 1.0661 0.9607 -0.1241 0.0876 0.1631 102 SER A N 344 C CA . SER A 78 ? 0.6290 0.9253 0.8341 -0.1139 0.0761 0.1452 102 SER A CA 345 C C . SER A 78 ? 0.5442 0.8205 0.7301 -0.1085 0.0799 0.1576 102 SER A C 346 O O . SER A 78 ? 0.5234 0.7956 0.6836 -0.0941 0.0760 0.1479 102 SER A O 347 C CB . SER A 78 ? 0.5895 0.9012 0.7757 -0.0961 0.0696 0.1238 102 SER A CB 348 O OG . SER A 78 ? 0.5997 0.9245 0.8033 -0.0988 0.0630 0.1109 102 SER A OG 349 N N . THR A 79 ? 0.5318 0.7955 0.7318 -0.1206 0.0868 0.1793 103 THR A N 350 C CA . THR A 79 ? 0.5134 0.7590 0.6978 -0.1141 0.0898 0.1936 103 THR A CA 351 C C . THR A 79 ? 0.5497 0.7460 0.7434 -0.1228 0.0868 0.1968 103 THR A C 352 O O . THR A 79 ? 0.6263 0.8065 0.8384 -0.1362 0.0871 0.1974 103 THR A O 353 C CB . THR A 79 ? 0.4775 0.7471 0.6559 -0.1098 0.0989 0.2125 103 THR A CB 354 O OG1 . THR A 79 ? 0.4582 0.7737 0.6282 -0.1010 0.1027 0.2071 103 THR A OG1 355 C CG2 . THR A 79 ? 0.4890 0.7468 0.6487 -0.0997 0.0993 0.2261 103 THR A CG2 356 N N . PHE A 80 ? 0.5305 0.7042 0.7114 -0.1148 0.0841 0.1976 104 PHE A N 357 C CA . PHE A 80 ? 0.6052 0.7329 0.7925 -0.1186 0.0825 0.2004 104 PHE A CA 358 C C . PHE A 80 ? 0.6661 0.7888 0.8494 -0.1126 0.0878 0.2227 104 PHE A C 359 O O . PHE A 80 ? 0.7141 0.8544 0.8823 -0.0999 0.0884 0.2317 104 PHE A O 360 C CB . PHE A 80 ? 0.6549 0.7586 0.8297 -0.1103 0.0755 0.1835 104 PHE A CB 361 C CG . PHE A 80 ? 0.6883 0.7482 0.8708 -0.1120 0.0758 0.1867 104 PHE A CG 362 C CD1 . PHE A 80 ? 0.6975 0.7250 0.8927 -0.1240 0.0733 0.1758 104 PHE A CD1 363 C CD2 . PHE A 80 ? 0.7151 0.7673 0.8919 -0.1004 0.0780 0.1997 104 PHE A CD2 364 C CE1 . PHE A 80 ? 0.7028 0.6879 0.9014 -0.1230 0.0738 0.1749 104 PHE A CE1 365 C CE2 . PHE A 80 ? 0.7236 0.7360 0.9087 -0.0992 0.0790 0.2020 104 PHE A CE2 366 C CZ . PHE A 80 ? 0.7115 0.6889 0.9058 -0.1097 0.0772 0.1882 104 PHE A CZ 367 N N . ILE A 81 ? 0.6917 0.7911 0.8884 -0.1223 0.0908 0.2316 105 ILE A N 368 C CA . ILE A 81 ? 0.6825 0.7713 0.8773 -0.1173 0.0954 0.2543 105 ILE A CA 369 C C . ILE A 81 ? 0.6340 0.6754 0.8336 -0.1150 0.0927 0.2535 105 ILE A C 370 O O . ILE A 81 ? 0.6500 0.6580 0.8615 -0.1264 0.0914 0.2444 105 ILE A O 371 C CB . ILE A 81 ? 0.7454 0.8400 0.9512 -0.1295 0.1021 0.2678 105 ILE A CB 372 C CG1 . ILE A 81 ? 0.6886 0.8340 0.8889 -0.1283 0.1068 0.2710 105 ILE A CG1 373 C CG2 . ILE A 81 ? 0.8988 0.9751 1.1029 -0.1252 0.1064 0.2920 105 ILE A CG2 374 C CD1 . ILE A 81 ? 0.6750 0.8386 0.8869 -0.1382 0.1051 0.2520 105 ILE A CD1 375 N N . ALA A 82 ? 0.5752 0.6155 0.7657 -0.0995 0.0918 0.2627 106 ALA A N 376 C CA . ALA A 82 ? 0.6544 0.6541 0.8503 -0.0932 0.0902 0.2622 106 ALA A CA 377 C C . ALA A 82 ? 0.7439 0.7093 0.9506 -0.0994 0.0935 0.2746 106 ALA A C 378 O O . ALA A 82 ? 0.8120 0.7885 1.0171 -0.0978 0.0976 0.2966 106 ALA A O 379 C CB . ALA A 82 ? 0.6776 0.6915 0.8647 -0.0748 0.0889 0.2741 106 ALA A CB 380 N N . PRO A 83 ? 0.7504 0.6731 0.9662 -0.1067 0.0918 0.2602 107 PRO A N 381 C CA . PRO A 83 ? 0.8304 0.7154 1.0554 -0.1135 0.0944 0.2698 107 PRO A CA 382 C C . PRO A 83 ? 0.8773 0.7390 1.1026 -0.0964 0.0960 0.2865 107 PRO A C 383 O O . PRO A 83 ? 0.9418 0.7752 1.1725 -0.0995 0.0987 0.2999 107 PRO A O 384 C CB . PRO A 83 ? 0.8215 0.6710 1.0523 -0.1256 0.0904 0.2443 107 PRO A CB 385 C CG . PRO A 83 ? 0.7736 0.6298 0.9977 -0.1164 0.0867 0.2258 107 PRO A CG 386 C CD . PRO A 83 ? 0.7300 0.6367 0.9460 -0.1103 0.0872 0.2332 107 PRO A CD 387 N N . ARG A 84 ? 0.8529 0.7262 1.0736 -0.0788 0.0942 0.2859 108 ARG A N 388 C CA . ARG A 84 ? 0.8906 0.7457 1.1147 -0.0602 0.0951 0.3008 108 ARG A CA 389 C C . ARG A 84 ? 0.8665 0.7539 1.0855 -0.0424 0.0929 0.3045 108 ARG A C 390 O O . ARG A 84 ? 0.8755 0.7916 1.0876 -0.0457 0.0908 0.2919 108 ARG A O 391 C CB . ARG A 84 ? 0.8801 0.6821 1.1128 -0.0589 0.0952 0.2857 108 ARG A CB 392 C CG . ARG A 84 ? 0.8061 0.6023 1.0378 -0.0597 0.0932 0.2574 108 ARG A CG 393 C CD . ARG A 84 ? 0.8206 0.5642 1.0573 -0.0596 0.0936 0.2400 108 ARG A CD 394 N NE . ARG A 84 ? 0.8773 0.5987 1.1209 -0.0385 0.0965 0.2512 108 ARG A NE 395 C CZ . ARG A 84 ? 0.9709 0.6461 1.2184 -0.0324 0.0979 0.2382 108 ARG A CZ 396 N NH1 . ARG A 84 ? 0.9820 0.6280 1.2251 -0.0471 0.0958 0.2133 108 ARG A NH1 397 N NH2 . ARG A 84 ? 1.0447 0.7043 1.2997 -0.0106 0.1008 0.2496 108 ARG A NH2 398 N N . LYS A 85 ? 0.8638 0.7465 1.0865 -0.0236 0.0930 0.3221 109 LYS A N 399 C CA . LYS A 85 ? 0.8236 0.7380 1.0439 -0.0060 0.0899 0.3277 109 LYS A CA 400 C C . LYS A 85 ? 0.8120 0.7088 1.0405 -0.0006 0.0906 0.3065 109 LYS A C 401 O O . LYS A 85 ? 0.8579 0.7129 1.0970 0.0042 0.0935 0.2985 109 LYS A O 402 C CB . LYS A 85 ? 0.8467 0.7652 1.0697 0.0137 0.0885 0.3542 109 LYS A CB 403 C CG . LYS A 85 ? 0.8133 0.7669 1.0362 0.0332 0.0833 0.3608 109 LYS A CG 404 C CD . LYS A 85 ? 0.8651 0.8320 1.0876 0.0521 0.0796 0.3880 109 LYS A CD 405 C CE . LYS A 85 ? 0.8892 0.8790 1.1204 0.0748 0.0735 0.3914 109 LYS A CE 406 N NZ . LYS A 85 ? 0.9607 0.9545 1.1955 0.0952 0.0695 0.4149 109 LYS A NZ 407 N N . GLY A 86 ? 0.7595 0.6896 0.9798 -0.0013 0.0873 0.2929 110 GLY A N 408 C CA . GLY A 86 ? 0.7134 0.6367 0.9349 0.0036 0.0864 0.2645 110 GLY A CA 409 C C . GLY A 86 ? 0.6718 0.6381 0.8792 0.0012 0.0804 0.2469 110 GLY A C 410 O O . GLY A 86 ? 0.6345 0.6368 0.8307 -0.0018 0.0762 0.2557 110 GLY A O 411 N N . ILE A 87 ? 0.6192 0.5800 0.8261 0.0027 0.0807 0.2220 111 ILE A N 412 C CA . ILE A 87 ? 0.5421 0.5348 0.7361 -0.0019 0.0757 0.2032 111 ILE A CA 413 C C . ILE A 87 ? 0.5191 0.4964 0.7015 -0.0189 0.0763 0.1830 111 ILE A C 414 O O . ILE A 87 ? 0.5251 0.4683 0.7095 -0.0227 0.0804 0.1687 111 ILE A O 415 C CB . ILE A 87 ? 0.5346 0.5349 0.7354 0.0091 0.0764 0.1901 111 ILE A CB 416 C CG1 . ILE A 87 ? 0.4805 0.5027 0.6958 0.0276 0.0740 0.2100 111 ILE A CG1 417 C CG2 . ILE A 87 ? 0.5822 0.6091 0.7697 0.0011 0.0718 0.1707 111 ILE A CG2 418 C CD1 . ILE A 87 ? 0.4389 0.5051 0.6460 0.0290 0.0648 0.2246 111 ILE A CD1 419 N N . TYR A 88 ? 0.4828 0.4863 0.6522 -0.0276 0.0716 0.1811 112 TYR A N 420 C CA . TYR A 88 ? 0.4835 0.4781 0.6427 -0.0418 0.0707 0.1638 112 TYR A CA 421 C C . TYR A 88 ? 0.4833 0.4965 0.6277 -0.0431 0.0659 0.1442 112 TYR A C 422 O O . TYR A 88 ? 0.4801 0.5232 0.6200 -0.0372 0.0618 0.1468 112 TYR A O 423 C CB . TYR A 88 ? 0.4893 0.4973 0.6472 -0.0506 0.0703 0.1767 112 TYR A CB 424 C CG . TYR A 88 ? 0.5460 0.5303 0.7190 -0.0542 0.0758 0.1958 112 TYR A CG 425 C CD1 . TYR A 88 ? 0.5899 0.5791 0.7703 -0.0444 0.0782 0.2216 112 TYR A CD1 426 C CD2 . TYR A 88 ? 0.5654 0.5215 0.7453 -0.0678 0.0776 0.1886 112 TYR A CD2 427 C CE1 . TYR A 88 ? 0.6320 0.5947 0.8259 -0.0484 0.0835 0.2409 112 TYR A CE1 428 C CE2 . TYR A 88 ? 0.5887 0.5197 0.7839 -0.0736 0.0824 0.2058 112 TYR A CE2 429 C CZ . TYR A 88 ? 0.6563 0.5888 0.8579 -0.0638 0.0858 0.2321 112 TYR A CZ 430 O OH . TYR A 88 ? 0.7390 0.6455 0.9481 -0.0675 0.0877 0.2420 112 TYR A OH 431 N N . SER A 89 ? 0.4524 0.4463 0.5887 -0.0512 0.0657 0.1247 113 SER A N 432 C CA . SER A 89 ? 0.4230 0.4278 0.5435 -0.0540 0.0614 0.1072 113 SER A CA 433 C C . SER A 89 ? 0.4563 0.4711 0.5668 -0.0619 0.0569 0.1029 113 SER A C 434 O O . SER A 89 ? 0.4954 0.4987 0.6113 -0.0688 0.0578 0.1052 113 SER A O 435 C CB . SER A 89 ? 0.4776 0.4554 0.5926 -0.0556 0.0644 0.0897 113 SER A CB 436 O OG . SER A 89 ? 0.5345 0.5171 0.6323 -0.0601 0.0603 0.0746 113 SER A OG 437 N N . PHE A 90 ? 0.4564 0.4932 0.5541 -0.0609 0.0518 0.0960 114 PHE A N 438 C CA . PHE A 90 ? 0.4475 0.4954 0.5355 -0.0652 0.0477 0.0898 114 PHE A CA 439 C C . PHE A 90 ? 0.4728 0.5187 0.5435 -0.0654 0.0426 0.0718 114 PHE A C 440 O O . PHE A 90 ? 0.4849 0.5361 0.5508 -0.0625 0.0412 0.0679 114 PHE A O 441 C CB . PHE A 90 ? 0.4268 0.5072 0.5154 -0.0617 0.0472 0.1035 114 PHE A CB 442 C CG . PHE A 90 ? 0.4728 0.5544 0.5768 -0.0635 0.0528 0.1238 114 PHE A CG 443 C CD1 . PHE A 90 ? 0.4984 0.5759 0.6104 -0.0719 0.0551 0.1265 114 PHE A CD1 444 C CD2 . PHE A 90 ? 0.5094 0.5967 0.6210 -0.0570 0.0554 0.1413 114 PHE A CD2 445 C CE1 . PHE A 90 ? 0.5283 0.6043 0.6557 -0.0759 0.0609 0.1465 114 PHE A CE1 446 C CE2 . PHE A 90 ? 0.5511 0.6350 0.6758 -0.0586 0.0609 0.1623 114 PHE A CE2 447 C CZ . PHE A 90 ? 0.5513 0.6281 0.6839 -0.0692 0.0642 0.1651 114 PHE A CZ 448 N N . ASN A 91 ? 0.4733 0.5115 0.5363 -0.0692 0.0393 0.0617 115 ASN A N 449 C CA . ASN A 91 ? 0.4563 0.4893 0.5015 -0.0685 0.0340 0.0464 115 ASN A CA 450 C C . ASN A 91 ? 0.3633 0.4080 0.4042 -0.0675 0.0295 0.0421 115 ASN A C 451 O O . ASN A 91 ? 0.4165 0.4640 0.4686 -0.0711 0.0304 0.0467 115 ASN A O 452 C CB . ASN A 91 ? 0.5884 0.5907 0.6256 -0.0720 0.0346 0.0360 115 ASN A CB 453 C CG . ASN A 91 ? 0.7539 0.7488 0.7945 -0.0714 0.0400 0.0377 115 ASN A CG 454 O OD1 . ASN A 91 ? 0.8264 0.8254 0.8599 -0.0709 0.0390 0.0332 115 ASN A OD1 455 N ND2 . ASN A 91 ? 0.8237 0.8080 0.8769 -0.0714 0.0459 0.0438 115 ASN A ND2 456 N N . PHE A 92 ? 0.2709 0.3232 0.2976 -0.0627 0.0247 0.0330 116 PHE A N 457 C CA . PHE A 92 ? 0.3188 0.3827 0.3415 -0.0586 0.0206 0.0272 116 PHE A CA 458 C C . PHE A 92 ? 0.3448 0.3950 0.3476 -0.0537 0.0142 0.0125 116 PHE A C 459 O O . PHE A 92 ? 0.3305 0.3742 0.3232 -0.0533 0.0132 0.0081 116 PHE A O 460 C CB . PHE A 92 ? 0.3458 0.4449 0.3749 -0.0540 0.0235 0.0359 116 PHE A CB 461 C CG . PHE A 92 ? 0.3293 0.4413 0.3460 -0.0481 0.0220 0.0331 116 PHE A CG 462 C CD1 . PHE A 92 ? 0.3150 0.4301 0.3157 -0.0407 0.0169 0.0193 116 PHE A CD1 463 C CD2 . PHE A 92 ? 0.2533 0.3742 0.2744 -0.0494 0.0247 0.0435 116 PHE A CD2 464 C CE1 . PHE A 92 ? 0.3271 0.4525 0.3156 -0.0366 0.0142 0.0141 116 PHE A CE1 465 C CE2 . PHE A 92 ? 0.2577 0.3931 0.2674 -0.0449 0.0212 0.0395 116 PHE A CE2 466 C CZ . PHE A 92 ? 0.3048 0.4420 0.2978 -0.0394 0.0158 0.0239 116 PHE A CZ 467 N N . HIS A 93 ? 0.3472 0.3923 0.3458 -0.0504 0.0094 0.0054 117 HIS A N 468 C CA . HIS A 93 ? 0.4215 0.4530 0.4015 -0.0431 0.0028 -0.0071 117 HIS A CA 469 C C . HIS A 93 ? 0.4144 0.4689 0.3984 -0.0333 -0.0002 -0.0104 117 HIS A C 470 O O . HIS A 93 ? 0.4773 0.5388 0.4722 -0.0339 -0.0021 -0.0088 117 HIS A O 471 C CB . HIS A 93 ? 0.5541 0.5516 0.5216 -0.0462 -0.0011 -0.0124 117 HIS A CB 472 C CG . HIS A 93 ? 0.7137 0.6911 0.6780 -0.0552 0.0039 -0.0095 117 HIS A CG 473 N ND1 . HIS A 93 ? 0.7220 0.6776 0.6708 -0.0571 0.0036 -0.0144 117 HIS A ND1 474 C CD2 . HIS A 93 ? 0.7495 0.7257 0.7256 -0.0623 0.0099 -0.0024 117 HIS A CD2 475 C CE1 . HIS A 93 ? 0.7384 0.6850 0.6907 -0.0648 0.0100 -0.0101 117 HIS A CE1 476 N NE2 . HIS A 93 ? 0.7350 0.6928 0.7031 -0.0668 0.0138 -0.0035 117 HIS A NE2 477 N N . VAL A 94 ? 0.3622 0.4308 0.3385 -0.0242 -0.0006 -0.0160 118 VAL A N 478 C CA . VAL A 94 ? 0.3703 0.4634 0.3498 -0.0120 -0.0019 -0.0208 118 VAL A CA 479 C C . VAL A 94 ? 0.3791 0.4482 0.3398 -0.0007 -0.0099 -0.0351 118 VAL A C 480 O O . VAL A 94 ? 0.3983 0.4528 0.3423 0.0031 -0.0118 -0.0438 118 VAL A O 481 C CB . VAL A 94 ? 0.4059 0.5335 0.3874 -0.0068 0.0042 -0.0182 118 VAL A CB 482 C CG1 . VAL A 94 ? 0.4059 0.5597 0.3888 0.0083 0.0044 -0.0253 118 VAL A CG1 483 C CG2 . VAL A 94 ? 0.3821 0.5321 0.3822 -0.0169 0.0123 -0.0008 118 VAL A CG2 484 N N . VAL A 95 ? 0.4085 0.4731 0.3725 0.0046 -0.0155 -0.0373 119 VAL A N 485 C CA . VAL A 95 ? 0.4656 0.5031 0.4117 0.0165 -0.0240 -0.0481 119 VAL A CA 486 C C . VAL A 95 ? 0.5181 0.5807 0.4676 0.0353 -0.0254 -0.0561 119 VAL A C 487 O O . VAL A 95 ? 0.5374 0.6345 0.5073 0.0394 -0.0242 -0.0524 119 VAL A O 488 C CB . VAL A 95 ? 0.4446 0.4619 0.3889 0.0140 -0.0311 -0.0458 119 VAL A CB 489 C CG1 . VAL A 95 ? 0.5141 0.4972 0.4360 0.0263 -0.0401 -0.0539 119 VAL A CG1 490 C CG2 . VAL A 95 ? 0.4389 0.4364 0.3812 -0.0035 -0.0277 -0.0384 119 VAL A CG2 491 N N . LYS A 96 ? 0.5218 0.5677 0.4529 0.0467 -0.0276 -0.0680 120 LYS A N 492 C CA . LYS A 96 ? 0.5476 0.6145 0.4795 0.0676 -0.0282 -0.0782 120 LYS A CA 493 C C . LYS A 96 ? 0.6172 0.6463 0.5315 0.0830 -0.0381 -0.0886 120 LYS A C 494 O O . LYS A 96 ? 0.6836 0.6682 0.5816 0.0757 -0.0436 -0.0875 120 LYS A O 495 C CB . LYS A 96 ? 0.5670 0.6505 0.4910 0.0716 -0.0218 -0.0857 120 LYS A CB 496 C CG . LYS A 96 ? 0.6025 0.6444 0.5013 0.0694 -0.0262 -0.0968 120 LYS A CG 497 C CD . LYS A 96 ? 0.6784 0.7364 0.5659 0.0814 -0.0234 -0.1108 120 LYS A CD 498 C CE . LYS A 96 ? 0.7709 0.7836 0.6348 0.0920 -0.0315 -0.1290 120 LYS A CE 499 N NZ . LYS A 96 ? 0.8202 0.8491 0.6734 0.1117 -0.0296 -0.1465 120 LYS A NZ 500 N N . VAL A 97 ? 0.6661 0.7141 0.5842 0.1051 -0.0395 -0.0976 121 VAL A N 501 C CA . VAL A 97 ? 0.7077 0.7213 0.6100 0.1245 -0.0490 -0.1076 121 VAL A CA 502 C C . VAL A 97 ? 0.7802 0.7873 0.6677 0.1415 -0.0470 -0.1250 121 VAL A C 503 O O . VAL A 97 ? 0.7583 0.7946 0.6481 0.1391 -0.0384 -0.1291 121 VAL A O 504 C CB . VAL A 97 ? 0.6422 0.6815 0.5627 0.1406 -0.0546 -0.1047 121 VAL A CB 505 C CG1 . VAL A 97 ? 0.6123 0.6378 0.5361 0.1268 -0.0618 -0.0921 121 VAL A CG1 506 C CG2 . VAL A 97 ? 0.6062 0.7118 0.5557 0.1450 -0.0455 -0.1030 121 VAL A CG2 507 N N . TYR A 98 ? 0.8574 0.8243 0.7279 0.1592 -0.0553 -0.1351 122 TYR A N 508 C CA . TYR A 98 ? 0.9802 0.9323 0.8342 0.1773 -0.0549 -0.1546 122 TYR A CA 509 C C . TYR A 98 ? 1.0616 1.0723 0.9321 0.1972 -0.0468 -0.1621 122 TYR A C 510 O O . TYR A 98 ? 1.0833 1.1183 0.9700 0.2163 -0.0487 -0.1609 122 TYR A O 511 C CB . TYR A 98 ? 1.0882 0.9840 0.9236 0.1947 -0.0658 -0.1618 122 TYR A CB 512 C CG . TYR A 98 ? 1.2439 1.1172 1.0616 0.2162 -0.0666 -0.1842 122 TYR A CG 513 C CD1 . TYR A 98 ? 1.3188 1.1582 1.1156 0.2041 -0.0662 -0.1965 122 TYR A CD1 514 C CD2 . TYR A 98 ? 1.3072 1.1936 1.1301 0.2490 -0.0682 -0.1943 122 TYR A CD2 515 C CE1 . TYR A 98 ? 1.3942 1.2097 1.1732 0.2233 -0.0679 -0.2197 122 TYR A CE1 516 C CE2 . TYR A 98 ? 1.3688 1.2318 1.1743 0.2706 -0.0685 -0.2169 122 TYR A CE2 517 C CZ . TYR A 98 ? 1.4120 1.2376 1.1942 0.2572 -0.0686 -0.2302 122 TYR A CZ 518 O OH . TYR A 98 ? 1.4337 1.2329 1.1968 0.2783 -0.0697 -0.2553 122 TYR A OH 519 N N . ASN A 99 ? 1.1350 1.1712 1.0015 0.1924 -0.0378 -0.1689 123 ASN A N 520 C CA . ASN A 99 ? 1.1889 1.2840 1.0680 0.2093 -0.0271 -0.1748 123 ASN A CA 521 C C . ASN A 99 ? 1.2146 1.3080 1.0703 0.2194 -0.0225 -0.1954 123 ASN A C 522 O O . ASN A 99 ? 1.2367 1.3824 1.0983 0.2265 -0.0111 -0.1977 123 ASN A O 523 C CB . ASN A 99 ? 1.2085 1.3593 1.1130 0.1912 -0.0173 -0.1555 123 ASN A CB 524 C CG . ASN A 99 ? 1.2467 1.3875 1.1422 0.1641 -0.0151 -0.1473 123 ASN A CG 525 O OD1 . ASN A 99 ? 1.3214 1.4153 1.1946 0.1561 -0.0217 -0.1549 123 ASN A OD1 526 N ND2 . ASN A 99 ? 1.2020 1.3876 1.1165 0.1500 -0.0058 -0.1310 123 ASN A ND2 527 N N . ARG A 100 ? 1.2103 1.2443 1.0390 0.2179 -0.0312 -0.2098 124 ARG A N 528 C CA . ARG A 100 ? 1.2150 1.2387 1.0181 0.2267 -0.0300 -0.2333 124 ARG A CA 529 C C . ARG A 100 ? 1.1403 1.1917 0.9381 0.2050 -0.0244 -0.2290 124 ARG A C 530 O O . ARG A 100 ? 1.1757 1.2306 0.9524 0.2107 -0.0230 -0.2475 124 ARG A O 531 C CB . ARG A 100 ? 1.2563 1.3144 1.0598 0.2601 -0.0225 -0.2496 124 ARG A CB 532 C CG . ARG A 100 ? 1.3196 1.3570 1.1308 0.2863 -0.0282 -0.2539 124 ARG A CG 533 C CD . ARG A 100 ? 1.4271 1.4153 1.2145 0.3058 -0.0344 -0.2775 124 ARG A CD 534 N NE . ARG A 100 ? 1.4678 1.4155 1.2590 0.3231 -0.0441 -0.2757 124 ARG A NE 535 C CZ . ARG A 100 ? 1.5167 1.4216 1.2959 0.3387 -0.0499 -0.2874 124 ARG A CZ 536 N NH1 . ARG A 100 ? 1.5308 1.4269 1.2934 0.3394 -0.0469 -0.3042 124 ARG A NH1 537 N NH2 . ARG A 100 ? 1.5330 1.4037 1.3159 0.3539 -0.0591 -0.2819 124 ARG A NH2 538 N N . GLN A 101 ? 0.9992 1.0693 0.8152 0.1814 -0.0220 -0.2053 125 GLN A N 539 C CA . GLN A 101 ? 0.8706 0.9698 0.6854 0.1620 -0.0169 -0.1967 125 GLN A CA 540 C C . GLN A 101 ? 0.7802 0.8489 0.5973 0.1340 -0.0233 -0.1839 125 GLN A C 541 O O . GLN A 101 ? 0.8011 0.8428 0.6286 0.1262 -0.0276 -0.1731 125 GLN A O 542 C CB . GLN A 101 ? 0.8095 0.9735 0.6477 0.1620 -0.0040 -0.1780 125 GLN A CB 543 C CG . GLN A 101 ? 0.8104 1.0194 0.6461 0.1866 0.0064 -0.1890 125 GLN A CG 544 C CD . GLN A 101 ? 0.8345 1.0644 0.6458 0.1876 0.0109 -0.1996 125 GLN A CD 545 O OE1 . GLN A 101 ? 0.8586 1.0813 0.6614 0.1676 0.0072 -0.1933 125 GLN A OE1 546 N NE2 . GLN A 101 ? 0.8649 1.1237 0.6645 0.2119 0.0189 -0.2159 125 GLN A NE2 547 N N . THR A 102 ? 0.7461 0.8211 0.5522 0.1202 -0.0240 -0.1860 126 THR A N 548 C CA . THR A 102 ? 0.6829 0.7456 0.4963 0.0942 -0.0273 -0.1714 126 THR A CA 549 C C . THR A 102 ? 0.6194 0.7347 0.4482 0.0863 -0.0179 -0.1514 126 THR A C 550 O O . THR A 102 ? 0.7119 0.8670 0.5338 0.0961 -0.0116 -0.1544 126 THR A O 551 C CB . THR A 102 ? 0.7454 0.7790 0.5394 0.0830 -0.0365 -0.1869 126 THR A CB 552 O OG1 . THR A 102 ? 0.8173 0.8883 0.5986 0.0873 -0.0344 -0.1951 126 THR A OG1 553 C CG2 . THR A 102 ? 0.7843 0.7645 0.5606 0.0926 -0.0450 -0.2089 126 THR A CG2 554 N N . ILE A 103 ? 0.5464 0.6604 0.3942 0.0693 -0.0165 -0.1307 127 ILE A N 555 C CA . ILE A 103 ? 0.5426 0.7001 0.4076 0.0621 -0.0074 -0.1095 127 ILE A CA 556 C C . ILE A 103 ? 0.5492 0.7062 0.4168 0.0434 -0.0094 -0.0985 127 ILE A C 557 O O . ILE A 103 ? 0.5774 0.7005 0.4393 0.0328 -0.0173 -0.1047 127 ILE A O 558 C CB . ILE A 103 ? 0.5316 0.6950 0.4213 0.0598 -0.0026 -0.0931 127 ILE A CB 559 C CG1 . ILE A 103 ? 0.4997 0.6206 0.3946 0.0456 -0.0090 -0.0881 127 ILE A CG1 560 C CG2 . ILE A 103 ? 0.5942 0.7666 0.4861 0.0795 -0.0010 -0.1025 127 ILE A CG2 561 C CD1 . ILE A 103 ? 0.4780 0.6049 0.3951 0.0402 -0.0058 -0.0725 127 ILE A CD1 562 N N . GLN A 104 ? 0.4751 0.6711 0.3524 0.0399 -0.0018 -0.0809 128 GLN A N 563 C CA . GLN A 104 ? 0.4650 0.6650 0.3501 0.0246 -0.0026 -0.0660 128 GLN A CA 564 C C . GLN A 104 ? 0.4525 0.6777 0.3596 0.0200 0.0073 -0.0412 128 GLN A C 565 O O . GLN A 104 ? 0.4743 0.7361 0.3824 0.0272 0.0156 -0.0330 128 GLN A O 566 C CB . GLN A 104 ? 0.4571 0.6781 0.3241 0.0260 -0.0066 -0.0721 128 GLN A CB 567 C CG . GLN A 104 ? 0.4849 0.7176 0.3620 0.0133 -0.0077 -0.0544 128 GLN A CG 568 C CD . GLN A 104 ? 0.5566 0.8139 0.4148 0.0156 -0.0138 -0.0603 128 GLN A CD 569 O OE1 . GLN A 104 ? 0.6417 0.8998 0.4770 0.0242 -0.0190 -0.0818 128 GLN A OE1 570 N NE2 . GLN A 104 ? 0.5393 0.8167 0.4063 0.0090 -0.0140 -0.0418 128 GLN A NE2 571 N N . VAL A 105 ? 0.4098 0.6143 0.3340 0.0075 0.0071 -0.0297 129 VAL A N 572 C CA . VAL A 105 ? 0.3985 0.6185 0.3443 0.0010 0.0153 -0.0075 129 VAL A CA 573 C C . VAL A 105 ? 0.4435 0.6688 0.3939 -0.0077 0.0154 0.0068 129 VAL A C 574 O O . VAL A 105 ? 0.4566 0.6610 0.4040 -0.0138 0.0088 0.0011 129 VAL A O 575 C CB . VAL A 105 ? 0.4131 0.6063 0.3744 -0.0054 0.0150 -0.0053 129 VAL A CB 576 C CG1 . VAL A 105 ? 0.4054 0.6121 0.3892 -0.0135 0.0228 0.0156 129 VAL A CG1 577 C CG2 . VAL A 105 ? 0.3029 0.4916 0.2602 0.0051 0.0129 -0.0191 129 VAL A CG2 578 N N . SER A 106 ? 0.4229 0.6772 0.3817 -0.0078 0.0231 0.0264 130 SER A N 579 C CA . SER A 106 ? 0.4015 0.6622 0.3663 -0.0134 0.0233 0.0433 130 SER A CA 580 C C . SER A 106 ? 0.3334 0.5931 0.3212 -0.0205 0.0317 0.0658 130 SER A C 581 O O . SER A 106 ? 0.2902 0.5651 0.2865 -0.0201 0.0396 0.0743 130 SER A O 582 C CB . SER A 106 ? 0.4475 0.7432 0.3948 -0.0056 0.0230 0.0473 130 SER A CB 583 O OG . SER A 106 ? 0.4875 0.7786 0.4156 -0.0027 0.0123 0.0270 130 SER A OG 584 N N . LEU A 107 ? 0.2983 0.5401 0.2975 -0.0271 0.0302 0.0746 131 LEU A N 585 C CA . LEU A 107 ? 0.3456 0.5828 0.3650 -0.0330 0.0374 0.0960 131 LEU A CA 586 C C . LEU A 107 ? 0.4353 0.7019 0.4520 -0.0287 0.0415 0.1173 131 LEU A C 587 O O . LEU A 107 ? 0.5038 0.7813 0.5105 -0.0239 0.0359 0.1191 131 LEU A O 588 C CB . LEU A 107 ? 0.3849 0.5913 0.4162 -0.0389 0.0351 0.0962 131 LEU A CB 589 C CG . LEU A 107 ? 0.4069 0.6037 0.4579 -0.0433 0.0417 0.1173 131 LEU A CG 590 C CD1 . LEU A 107 ? 0.3680 0.5572 0.4314 -0.0502 0.0476 0.1209 131 LEU A CD1 591 C CD2 . LEU A 107 ? 0.4875 0.6571 0.5475 -0.0456 0.0398 0.1146 131 LEU A CD2 592 N N . MET A 108 ? 0.4222 0.7028 0.4479 -0.0308 0.0510 0.1343 132 MET A N 593 C CA . MET A 108 ? 0.3786 0.6885 0.3988 -0.0266 0.0568 0.1573 132 MET A CA 594 C C . MET A 108 ? 0.4691 0.7631 0.5084 -0.0322 0.0615 0.1826 132 MET A C 595 O O . MET A 108 ? 0.4961 0.7637 0.5556 -0.0415 0.0649 0.1843 132 MET A O 596 C CB . MET A 108 ? 0.3610 0.7009 0.3778 -0.0253 0.0662 0.1616 132 MET A CB 597 C CG . MET A 108 ? 0.3200 0.6779 0.3148 -0.0156 0.0621 0.1373 132 MET A CG 598 S SD . MET A 108 ? 0.5316 0.9144 0.4946 -0.0039 0.0548 0.1346 132 MET A SD 599 C CE . MET A 108 ? 1.3629 1.7453 1.3050 0.0045 0.0474 0.0980 132 MET A CE 600 N N . LEU A 109 ? 0.4809 0.7898 0.5126 -0.0257 0.0607 0.2013 133 LEU A N 601 C CA . LEU A 109 ? 0.4931 0.7881 0.5408 -0.0281 0.0657 0.2289 133 LEU A CA 602 C C . LEU A 109 ? 0.4810 0.8073 0.5171 -0.0234 0.0727 0.2562 133 LEU A C 603 O O . LEU A 109 ? 0.4648 0.8151 0.4813 -0.0127 0.0670 0.2618 133 LEU A O 604 C CB . LEU A 109 ? 0.5228 0.8007 0.5753 -0.0226 0.0572 0.2285 133 LEU A CB 605 C CG . LEU A 109 ? 0.5458 0.8060 0.6145 -0.0212 0.0614 0.2564 133 LEU A CG 606 C CD1 . LEU A 109 ? 0.5523 0.7778 0.6434 -0.0332 0.0699 0.2606 133 LEU A CD1 607 C CD2 . LEU A 109 ? 0.5784 0.8288 0.6531 -0.0128 0.0527 0.2532 133 LEU A CD2 608 N N . ASN A 110 ? 0.4942 0.8187 0.5427 -0.0314 0.0833 0.2703 134 ASN A N 609 C CA . ASN A 110 ? 0.5292 0.8748 0.5686 -0.0269 0.0883 0.2881 134 ASN A CA 610 C C . ASN A 110 ? 0.5158 0.9040 0.5261 -0.0169 0.0868 0.2777 134 ASN A C 611 O O . ASN A 110 ? 0.5050 0.9150 0.4967 -0.0069 0.0845 0.2891 134 ASN A O 612 C CB . ASN A 110 ? 0.5007 0.8354 0.5413 -0.0204 0.0856 0.3124 134 ASN A CB 613 C CG . ASN A 110 ? 0.5376 0.8271 0.6055 -0.0285 0.0877 0.3214 134 ASN A CG 614 O OD1 . ASN A 110 ? 0.6020 0.8701 0.6877 -0.0411 0.0923 0.3129 134 ASN A OD1 615 N ND2 . ASN A 110 ? 0.5580 0.8332 0.6291 -0.0204 0.0835 0.3375 134 ASN A ND2 616 N N . GLY A 111 ? 0.5438 0.9429 0.5498 -0.0186 0.0877 0.2545 135 GLY A N 617 C CA . GLY A 111 ? 0.5404 0.9758 0.5191 -0.0083 0.0871 0.2398 135 GLY A CA 618 C C . GLY A 111 ? 0.5001 0.9466 0.4524 0.0013 0.0753 0.2257 135 GLY A C 619 O O . GLY A 111 ? 0.5752 1.0488 0.5012 0.0111 0.0725 0.2115 135 GLY A O 620 N N . TRP A 112 ? 0.4354 0.8537 0.3987 -0.0008 0.0651 0.2228 136 TRP A N 621 C CA . TRP A 112 ? 0.4260 0.8474 0.3728 0.0063 0.0498 0.2040 136 TRP A CA 622 C C . TRP A 112 ? 0.4418 0.8299 0.4023 0.0002 0.0420 0.1769 136 TRP A C 623 O O . TRP A 112 ? 0.4641 0.8215 0.4491 -0.0078 0.0450 0.1811 136 TRP A O 624 C CB . TRP A 112 ? 0.5200 0.9453 0.4672 0.0113 0.0435 0.2262 136 TRP A CB 625 C CG . TRP A 112 ? 0.5915 1.0506 0.5188 0.0191 0.0491 0.2528 136 TRP A CG 626 C CD1 . TRP A 112 ? 0.6116 1.0614 0.5536 0.0194 0.0546 0.2813 136 TRP A CD1 627 C CD2 . TRP A 112 ? 0.6136 1.1055 0.5122 0.0280 0.0468 0.2414 136 TRP A CD2 628 N NE1 . TRP A 112 ? 0.6442 1.1212 0.5678 0.0274 0.0563 0.2904 136 TRP A NE1 629 C CE2 . TRP A 112 ? 0.6068 1.1106 0.5038 0.0329 0.0519 0.2661 136 TRP A CE2 630 C CE3 . TRP A 112 ? 0.6193 1.1288 0.4931 0.0326 0.0409 0.2116 136 TRP A CE3 631 C CZ2 . TRP A 112 ? 0.5729 1.1081 0.4438 0.0420 0.0521 0.2629 136 TRP A CZ2 632 C CZ3 . TRP A 112 ? 0.6353 1.1733 0.4846 0.0422 0.0406 0.2065 136 TRP A CZ3 633 C CH2 . TRP A 112 ? 0.5912 1.1433 0.4390 0.0467 0.0466 0.2326 136 TRP A CH2 634 N N . PRO A 113 ? 0.4476 0.8400 0.3907 0.0038 0.0322 0.1490 137 PRO A N 635 C CA . PRO A 113 ? 0.4172 0.7769 0.3712 -0.0027 0.0257 0.1254 137 PRO A CA 636 C C . PRO A 113 ? 0.4355 0.7786 0.4045 -0.0061 0.0179 0.1288 137 PRO A C 637 O O . PRO A 113 ? 0.4603 0.8235 0.4224 -0.0009 0.0103 0.1358 137 PRO A O 638 C CB . PRO A 113 ? 0.4188 0.7886 0.3480 0.0025 0.0176 0.0974 137 PRO A CB 639 C CG . PRO A 113 ? 0.4572 0.8641 0.3633 0.0113 0.0138 0.1053 137 PRO A CG 640 C CD . PRO A 113 ? 0.4496 0.8742 0.3611 0.0133 0.0265 0.1374 137 PRO A CD 641 N N . VAL A 114 ? 0.4696 0.7789 0.4586 -0.0139 0.0199 0.1235 138 VAL A N 642 C CA . VAL A 114 ? 0.4340 0.7273 0.4392 -0.0168 0.0148 0.1241 138 VAL A CA 643 C C . VAL A 114 ? 0.4386 0.7162 0.4404 -0.0221 0.0071 0.0973 138 VAL A C 644 O O . VAL A 114 ? 0.4309 0.7187 0.4321 -0.0222 -0.0022 0.0906 138 VAL A O 645 C CB . VAL A 114 ? 0.4143 0.6793 0.4431 -0.0214 0.0237 0.1377 138 VAL A CB 646 C CG1 . VAL A 114 ? 0.4662 0.7170 0.5116 -0.0220 0.0204 0.1377 138 VAL A CG1 647 C CG2 . VAL A 114 ? 0.4158 0.6913 0.4493 -0.0182 0.0317 0.1655 138 VAL A CG2 648 N N . ILE A 115 ? 0.4400 0.6936 0.4404 -0.0269 0.0105 0.0831 139 ILE A N 649 C CA . ILE A 115 ? 0.4839 0.7174 0.4788 -0.0323 0.0044 0.0597 139 ILE A CA 650 C C . ILE A 115 ? 0.4614 0.6898 0.4397 -0.0300 0.0046 0.0440 139 ILE A C 651 O O . ILE A 115 ? 0.4703 0.7078 0.4477 -0.0259 0.0115 0.0516 139 ILE A O 652 C CB . ILE A 115 ? 0.5583 0.7594 0.5699 -0.0398 0.0083 0.0584 139 ILE A CB 653 C CG1 . ILE A 115 ? 0.6289 0.8130 0.6477 -0.0409 0.0171 0.0657 139 ILE A CG1 654 C CG2 . ILE A 115 ? 0.5796 0.7867 0.6088 -0.0401 0.0081 0.0707 139 ILE A CG2 655 C CD1 . ILE A 115 ? 0.6587 0.8099 0.6885 -0.0475 0.0206 0.0620 139 ILE A CD1 656 N N . SER A 116 ? 0.4548 0.6683 0.4217 -0.0325 -0.0025 0.0226 140 SER A N 657 C CA . SER A 116 ? 0.4405 0.6456 0.3910 -0.0278 -0.0034 0.0060 140 SER A CA 658 C C . SER A 116 ? 0.4101 0.5772 0.3590 -0.0338 -0.0066 -0.0096 140 SER A C 659 O O . SER A 116 ? 0.4118 0.5633 0.3677 -0.0428 -0.0095 -0.0116 140 SER A O 660 C CB . SER A 116 ? 0.4597 0.6875 0.3885 -0.0208 -0.0103 -0.0066 140 SER A CB 661 O OG . SER A 116 ? 0.4750 0.7395 0.4006 -0.0140 -0.0067 0.0092 140 SER A OG 662 N N . ALA A 117 ? 0.4185 0.5727 0.3586 -0.0281 -0.0056 -0.0196 141 ALA A N 663 C CA . ALA A 117 ? 0.4327 0.5494 0.3666 -0.0313 -0.0092 -0.0335 141 ALA A CA 664 C C . ALA A 117 ? 0.4131 0.5256 0.3283 -0.0203 -0.0131 -0.0509 141 ALA A C 665 O O . ALA A 117 ? 0.3999 0.5397 0.3109 -0.0096 -0.0099 -0.0501 141 ALA A O 666 C CB . ALA A 117 ? 0.4793 0.5771 0.4252 -0.0346 -0.0037 -0.0247 141 ALA A CB 667 N N . PHE A 118 ? 0.4358 0.5137 0.3400 -0.0224 -0.0191 -0.0659 142 PHE A N 668 C CA . PHE A 118 ? 0.4568 0.5235 0.3422 -0.0108 -0.0239 -0.0846 142 PHE A CA 669 C C . PHE A 118 ? 0.4741 0.5013 0.3551 -0.0082 -0.0255 -0.0899 142 PHE A C 670 O O . PHE A 118 ? 0.4995 0.5044 0.3878 -0.0183 -0.0243 -0.0817 142 PHE A O 671 C CB . PHE A 118 ? 0.4950 0.5553 0.3659 -0.0149 -0.0325 -0.1011 142 PHE A CB 672 C CG . PHE A 118 ? 0.5115 0.6116 0.3835 -0.0167 -0.0334 -0.0965 142 PHE A CG 673 C CD1 . PHE A 118 ? 0.4892 0.6005 0.3771 -0.0296 -0.0334 -0.0831 142 PHE A CD1 674 C CD2 . PHE A 118 ? 0.5758 0.7037 0.4320 -0.0039 -0.0342 -0.1053 142 PHE A CD2 675 C CE1 . PHE A 118 ? 0.5085 0.6571 0.3970 -0.0294 -0.0357 -0.0772 142 PHE A CE1 676 C CE2 . PHE A 118 ? 0.5658 0.7312 0.4196 -0.0047 -0.0358 -0.0996 142 PHE A CE2 677 C CZ . PHE A 118 ? 0.5701 0.7454 0.4402 -0.0173 -0.0373 -0.0849 142 PHE A CZ 678 N N . ALA A 119 ? 0.5497 0.5694 0.4178 0.0070 -0.0281 -0.1035 143 ALA A N 679 C CA . ALA A 119 ? 0.6196 0.6019 0.4813 0.0132 -0.0313 -0.1086 143 ALA A CA 680 C C . ALA A 119 ? 0.7372 0.7034 0.5799 0.0291 -0.0368 -0.1292 143 ALA A C 681 O O . ALA A 119 ? 0.7198 0.7161 0.5598 0.0441 -0.0341 -0.1359 143 ALA A O 682 C CB . ALA A 119 ? 0.5385 0.5359 0.4142 0.0197 -0.0265 -0.0961 143 ALA A CB 683 N N . GLY A 120 ? 0.8868 0.8043 0.7159 0.0261 -0.0435 -0.1391 144 GLY A N 684 C CA . GLY A 120 ? 1.0805 0.9733 0.8906 0.0409 -0.0496 -0.1601 144 GLY A CA 685 C C . GLY A 120 ? 1.2405 1.1305 1.0497 0.0636 -0.0490 -0.1616 144 GLY A C 686 O O . GLY A 120 ? 1.2404 1.1539 1.0652 0.0662 -0.0445 -0.1467 144 GLY A O 687 N N . ASP A 121 ? 1.4292 1.2914 1.2215 0.0804 -0.0543 -0.1804 145 ASP A N 688 C CA . ASP A 121 ? 1.5810 1.4397 1.3733 0.1052 -0.0550 -0.1830 145 ASP A CA 689 C C . ASP A 121 ? 1.6754 1.4697 1.4518 0.1115 -0.0635 -0.1890 145 ASP A C 690 O O . ASP A 121 ? 1.7159 1.4719 1.4742 0.1131 -0.0689 -0.2066 145 ASP A O 691 C CB . ASP A 121 ? 1.6839 1.5762 1.4719 0.1280 -0.0514 -0.1996 145 ASP A CB 692 C CG . ASP A 121 ? 1.7672 1.6751 1.5642 0.1542 -0.0497 -0.1992 145 ASP A CG 693 O OD1 . ASP A 121 ? 1.7405 1.6502 1.5521 0.1520 -0.0506 -0.1824 145 ASP A OD1 694 O OD2 . ASP A 121 ? 1.8522 1.7721 1.6418 0.1775 -0.0479 -0.2165 145 ASP A OD2 695 N N . GLN A 122 ? 1.7321 1.5133 1.5142 0.1148 -0.0653 -0.1743 146 GLN A N 696 C CA . GLN A 122 ? 1.8330 1.5549 1.5991 0.1243 -0.0734 -0.1760 146 GLN A CA 697 C C . GLN A 122 ? 1.8327 1.5653 1.6084 0.1375 -0.0753 -0.1612 146 GLN A C 698 O O . GLN A 122 ? 1.7547 1.5322 1.5494 0.1309 -0.0707 -0.1483 146 GLN A O 699 C CB . GLN A 122 ? 1.8964 1.5667 1.6501 0.0992 -0.0761 -0.1707 146 GLN A CB 700 C CG . GLN A 122 ? 1.9128 1.5751 1.6709 0.0839 -0.0746 -0.1480 146 GLN A CG 701 C CD . GLN A 122 ? 1.9029 1.6197 1.6818 0.0703 -0.0671 -0.1359 146 GLN A CD 702 O OE1 . GLN A 122 ? 1.8878 1.6189 1.6748 0.0704 -0.0661 -0.1214 146 GLN A OE1 703 N NE2 . GLN A 122 ? 1.9092 1.6548 1.6959 0.0586 -0.0626 -0.1420 146 GLN A NE2 704 N N . ASP A 123 ? 1.9046 1.5949 1.6671 0.1561 -0.0832 -0.1632 147 ASP A N 705 C CA . ASP A 123 ? 1.8667 1.5698 1.6374 0.1743 -0.0879 -0.1523 147 ASP A CA 706 C C . ASP A 123 ? 1.8264 1.5021 1.5901 0.1599 -0.0920 -0.1320 147 ASP A C 707 O O . ASP A 123 ? 1.7570 1.4612 1.5325 0.1650 -0.0946 -0.1205 147 ASP A O 708 C CB . ASP A 123 ? 1.8736 1.5491 1.6341 0.2072 -0.0952 -0.1647 147 ASP A CB 709 C CG . ASP A 123 ? 1.7801 1.4882 1.5561 0.2314 -0.1001 -0.1571 147 ASP A CG 710 O OD1 . ASP A 123 ? 1.6378 1.4028 1.4370 0.2243 -0.0963 -0.1477 147 ASP A OD1 711 O OD2 . ASP A 123 ? 1.8292 1.5059 1.5956 0.2576 -0.1086 -0.1605 147 ASP A OD2 712 N N . VAL A 124 ? 1.8357 1.4580 1.5800 0.1415 -0.0925 -0.1281 148 VAL A N 713 C CA . VAL A 124 ? 1.8226 1.4126 1.5540 0.1303 -0.0955 -0.1091 148 VAL A CA 714 C C . VAL A 124 ? 1.7071 1.3405 1.4535 0.1156 -0.0912 -0.0951 148 VAL A C 715 O O . VAL A 124 ? 1.6917 1.3145 1.4298 0.1165 -0.0959 -0.0813 148 VAL A O 716 C CB . VAL A 124 ? 1.5208 1.0553 1.2334 0.1069 -0.0928 -0.1065 148 VAL A CB 717 C CG1 . VAL A 124 ? 1.4643 1.0269 1.1902 0.0796 -0.0833 -0.1087 148 VAL A CG1 718 C CG2 . VAL A 124 ? 1.5465 1.0418 1.2402 0.0996 -0.0952 -0.0864 148 VAL A CG2 719 N N . THR A 125 ? 1.6187 1.2987 1.3853 0.1027 -0.0830 -0.0987 149 THR A N 720 C CA . THR A 125 ? 1.4886 1.2047 1.2698 0.0876 -0.0784 -0.0867 149 THR A CA 721 C C . THR A 125 ? 1.3016 1.0762 1.1088 0.0843 -0.0713 -0.0915 149 THR A C 722 O O . THR A 125 ? 1.2749 1.0628 1.0861 0.0908 -0.0687 -0.1038 149 THR A O 723 C CB . THR A 125 ? 1.5281 1.2177 1.2989 0.0611 -0.0725 -0.0769 149 THR A CB 724 O OG1 . THR A 125 ? 1.5013 1.2185 1.2824 0.0503 -0.0691 -0.0661 149 THR A OG1 725 C CG2 . THR A 125 ? 1.5366 1.2296 1.3131 0.0449 -0.0652 -0.0849 149 THR A CG2 726 N N . ARG A 126 ? 1.1496 0.9575 0.9727 0.0746 -0.0683 -0.0816 150 ARG A N 727 C CA . ARG A 126 ? 0.9924 0.8481 0.8383 0.0654 -0.0599 -0.0816 150 ARG A CA 728 C C . ARG A 126 ? 0.9750 0.8180 0.8170 0.0433 -0.0527 -0.0789 150 ARG A C 729 O O . ARG A 126 ? 0.9199 0.7279 0.7480 0.0316 -0.0528 -0.0729 150 ARG A O 730 C CB . ARG A 126 ? 0.9130 0.8038 0.7783 0.0615 -0.0597 -0.0722 150 ARG A CB 731 C CG . ARG A 126 ? 0.8787 0.7905 0.7536 0.0810 -0.0679 -0.0735 150 ARG A CG 732 C CD . ARG A 126 ? 0.8410 0.7914 0.7393 0.0718 -0.0673 -0.0656 150 ARG A CD 733 N NE . ARG A 126 ? 0.8370 0.8138 0.7492 0.0881 -0.0763 -0.0666 150 ARG A NE 734 C CZ . ARG A 126 ? 0.8634 0.8928 0.8058 0.0907 -0.0739 -0.0664 150 ARG A CZ 735 N NH1 . ARG A 126 ? 0.8929 0.9523 0.8527 0.0785 -0.0622 -0.0638 150 ARG A NH1 736 N NH2 . ARG A 126 ? 0.8364 0.8901 0.7927 0.1055 -0.0834 -0.0675 150 ARG A NH2 737 N N . GLU A 127 ? 1.0303 0.9035 0.8844 0.0382 -0.0463 -0.0825 151 GLU A N 738 C CA . GLU A 127 ? 1.0980 0.9703 0.9546 0.0180 -0.0401 -0.0783 151 GLU A CA 739 C C . GLU A 127 ? 0.8172 0.7370 0.6956 0.0129 -0.0331 -0.0720 151 GLU A C 740 O O . GLU A 127 ? 0.7162 0.6695 0.6058 0.0242 -0.0322 -0.0735 151 GLU A O 741 C CB . GLU A 127 ? 1.3812 1.2323 1.2252 0.0147 -0.0413 -0.0894 151 GLU A CB 742 C CG . GLU A 127 ? 1.5718 1.4413 1.4141 0.0298 -0.0431 -0.1036 151 GLU A CG 743 C CD . GLU A 127 ? 1.7145 1.5581 1.5426 0.0242 -0.0462 -0.1168 151 GLU A CD 744 O OE1 . GLU A 127 ? 1.7274 1.5652 1.5579 0.0048 -0.0443 -0.1129 151 GLU A OE1 745 O OE2 . GLU A 127 ? 1.7943 1.6233 1.6098 0.0391 -0.0510 -0.1320 151 GLU A OE2 746 N N . ALA A 128 ? 0.6679 0.5903 0.5529 -0.0039 -0.0276 -0.0640 152 ALA A N 747 C CA . ALA A 128 ? 0.6100 0.5697 0.5154 -0.0098 -0.0210 -0.0545 152 ALA A CA 748 C C . ALA A 128 ? 0.5503 0.5261 0.4597 -0.0174 -0.0171 -0.0541 152 ALA A C 749 O O . ALA A 128 ? 0.6108 0.5666 0.5129 -0.0266 -0.0179 -0.0569 152 ALA A O 750 C CB . ALA A 128 ? 0.6069 0.5582 0.5189 -0.0203 -0.0183 -0.0441 152 ALA A CB 751 N N . ALA A 129 ? 0.4621 0.4763 0.3835 -0.0136 -0.0131 -0.0500 153 ALA A N 752 C CA . ALA A 129 ? 0.4890 0.5245 0.4158 -0.0201 -0.0097 -0.0455 153 ALA A CA 753 C C . ALA A 129 ? 0.4219 0.4636 0.3656 -0.0310 -0.0038 -0.0301 153 ALA A C 754 O O . ALA A 129 ? 0.4076 0.4695 0.3653 -0.0300 0.0006 -0.0201 153 ALA A O 755 C CB . ALA A 129 ? 0.5018 0.5748 0.4297 -0.0098 -0.0075 -0.0467 153 ALA A CB 756 N N . SER A 130 ? 0.4046 0.4283 0.3482 -0.0414 -0.0033 -0.0285 154 SER A N 757 C CA . SER A 130 ? 0.3847 0.4074 0.3425 -0.0499 0.0026 -0.0164 154 SER A CA 758 C C . SER A 130 ? 0.3615 0.3996 0.3289 -0.0556 0.0050 -0.0101 154 SER A C 759 O O . SER A 130 ? 0.4030 0.4396 0.3644 -0.0587 0.0012 -0.0172 154 SER A O 760 C CB . SER A 130 ? 0.4322 0.4202 0.3826 -0.0557 0.0027 -0.0189 154 SER A CB 761 O OG . SER A 130 ? 0.5246 0.4963 0.4626 -0.0490 -0.0022 -0.0257 154 SER A OG 762 N N . ASN A 131 ? 0.3303 0.3829 0.3138 -0.0569 0.0107 0.0033 155 ASN A N 763 C CA . ASN A 131 ? 0.3013 0.3674 0.2968 -0.0604 0.0131 0.0117 155 ASN A CA 764 C C . ASN A 131 ? 0.2568 0.3252 0.2691 -0.0609 0.0201 0.0260 155 ASN A C 765 O O . ASN A 131 ? 0.2551 0.3177 0.2698 -0.0602 0.0223 0.0288 155 ASN A O 766 C CB . ASN A 131 ? 0.3185 0.4153 0.3116 -0.0558 0.0088 0.0125 155 ASN A CB 767 C CG . ASN A 131 ? 0.3745 0.4824 0.3752 -0.0601 0.0065 0.0143 155 ASN A CG 768 O OD1 . ASN A 131 ? 0.3273 0.4298 0.3423 -0.0639 0.0112 0.0217 155 ASN A OD1 769 N ND2 . ASN A 131 ? 0.4077 0.5328 0.3995 -0.0591 -0.0011 0.0064 155 ASN A ND2 770 N N . GLY A 132 ? 0.2776 0.3542 0.3027 -0.0620 0.0230 0.0345 156 GLY A N 771 C CA . GLY A 132 ? 0.3103 0.3838 0.3513 -0.0613 0.0297 0.0475 156 GLY A CA 772 C C . GLY A 132 ? 0.3459 0.4382 0.4010 -0.0581 0.0308 0.0582 156 GLY A C 773 O O . GLY A 132 ? 0.3977 0.5032 0.4517 -0.0590 0.0264 0.0534 156 GLY A O 774 N N . VAL A 133 ? 0.3062 0.3995 0.3755 -0.0544 0.0359 0.0730 157 VAL A N 775 C CA . VAL A 133 ? 0.3117 0.4248 0.3950 -0.0482 0.0361 0.0861 157 VAL A CA 776 C C . VAL A 133 ? 0.3469 0.4472 0.4460 -0.0441 0.0432 0.1011 157 VAL A C 777 O O . VAL A 133 ? 0.3282 0.4113 0.4271 -0.0471 0.0468 0.1039 157 VAL A O 778 C CB . VAL A 133 ? 0.2568 0.4032 0.3331 -0.0437 0.0294 0.0932 157 VAL A CB 779 C CG1 . VAL A 133 ? 0.2691 0.4197 0.3428 -0.0418 0.0326 0.1057 157 VAL A CG1 780 C CG2 . VAL A 133 ? 0.2971 0.4680 0.3855 -0.0368 0.0261 0.1045 157 VAL A CG2 781 N N . LEU A 134 ? 0.3983 0.5070 0.5125 -0.0370 0.0446 0.1102 158 LEU A N 782 C CA . LEU A 134 ? 0.4518 0.5494 0.5815 -0.0300 0.0504 0.1268 158 LEU A CA 783 C C . LEU A 134 ? 0.4521 0.5782 0.5846 -0.0220 0.0461 0.1469 158 LEU A C 784 O O . LEU A 134 ? 0.4234 0.5797 0.5554 -0.0176 0.0391 0.1477 158 LEU A O 785 C CB . LEU A 134 ? 0.5107 0.5983 0.6561 -0.0239 0.0557 0.1245 158 LEU A CB 786 C CG . LEU A 134 ? 0.5683 0.6306 0.7084 -0.0305 0.0612 0.1054 158 LEU A CG 787 C CD1 . LEU A 134 ? 0.6394 0.7026 0.7958 -0.0228 0.0676 0.1039 158 LEU A CD1 788 C CD2 . LEU A 134 ? 0.5976 0.6253 0.7315 -0.0356 0.0656 0.1018 158 LEU A CD2 789 N N . ILE A 135 ? 0.4982 0.6155 0.6330 -0.0211 0.0498 0.1634 159 ILE A N 790 C CA . ILE A 135 ? 0.5285 0.6705 0.6635 -0.0130 0.0471 0.1862 159 ILE A CA 791 C C . ILE A 135 ? 0.5127 0.6319 0.6621 -0.0081 0.0538 0.2077 159 ILE A C 792 O O . ILE A 135 ? 0.4758 0.5610 0.6312 -0.0150 0.0603 0.2044 159 ILE A O 793 C CB . ILE A 135 ? 0.6308 0.7943 0.7475 -0.0182 0.0447 0.1879 159 ILE A CB 794 C CG1 . ILE A 135 ? 0.7311 0.8714 0.8474 -0.0290 0.0513 0.1842 159 ILE A CG1 795 C CG2 . ILE A 135 ? 0.6578 0.8437 0.7592 -0.0203 0.0366 0.1679 159 ILE A CG2 796 C CD1 . ILE A 135 ? 0.7870 0.9510 0.8893 -0.0328 0.0514 0.1873 159 ILE A CD1 797 N N . GLN A 136 ? 0.5796 0.7166 0.7340 0.0040 0.0513 0.2298 160 GLN A N 798 C CA . GLN A 136 ? 0.6708 0.7856 0.8368 0.0097 0.0571 0.2545 160 GLN A CA 799 C C . GLN A 136 ? 0.7123 0.8331 0.8675 0.0018 0.0603 0.2710 160 GLN A C 800 O O . GLN A 136 ? 0.7249 0.8819 0.8635 0.0025 0.0559 0.2753 160 GLN A O 801 C CB . GLN A 136 ? 0.6625 0.7940 0.8380 0.0280 0.0526 0.2737 160 GLN A CB 802 C CG . GLN A 136 ? 0.6625 0.7664 0.8499 0.0362 0.0584 0.3014 160 GLN A CG 803 C CD . GLN A 136 ? 0.6970 0.8170 0.8952 0.0573 0.0529 0.3200 160 GLN A CD 804 O OE1 . GLN A 136 ? 0.6561 0.7782 0.8692 0.0671 0.0510 0.3084 160 GLN A OE1 805 N NE2 . GLN A 136 ? 0.7729 0.9069 0.9638 0.0653 0.0504 0.3500 160 GLN A NE2 806 N N . MET A 137 ? 0.7282 0.8142 0.8931 -0.0062 0.0684 0.2793 161 MET A N 807 C CA . MET A 137 ? 0.7558 0.8464 0.9159 -0.0156 0.0737 0.2975 161 MET A CA 808 C C . MET A 137 ? 0.8748 0.9345 1.0492 -0.0130 0.0800 0.3252 161 MET A C 809 O O . MET A 137 ? 0.9502 0.9722 1.1398 -0.0089 0.0818 0.3224 161 MET A O 810 C CB . MET A 137 ? 0.6970 0.7771 0.8570 -0.0333 0.0770 0.2783 161 MET A CB 811 C CG . MET A 137 ? 0.6379 0.7444 0.7825 -0.0356 0.0711 0.2523 161 MET A CG 812 S SD . MET A 137 ? 0.7479 0.8426 0.8941 -0.0533 0.0736 0.2315 161 MET A SD 813 C CE . MET A 137 ? 1.0978 1.2196 1.2431 -0.0606 0.0806 0.2548 161 MET A CE 814 N N . GLU A 138 ? 0.8648 0.9396 1.0308 -0.0137 0.0812 0.3421 162 GLU A N 815 C CA . GLU A 138 ? 0.8654 0.9093 1.0408 -0.0142 0.0854 0.3581 162 GLU A CA 816 C C . GLU A 138 ? 0.8093 0.8404 0.9873 -0.0343 0.0907 0.3498 162 GLU A C 817 O O . GLU A 138 ? 0.7763 0.8301 0.9475 -0.0442 0.0908 0.3353 162 GLU A O 818 C CB . GLU A 138 ? 0.9587 1.0262 1.1237 -0.0015 0.0838 0.3854 162 GLU A CB 819 C CG . GLU A 138 ? 1.0531 1.1333 1.2186 0.0199 0.0768 0.3959 162 GLU A CG 820 C CD . GLU A 138 ? 1.1609 1.2925 1.3091 0.0265 0.0692 0.3918 162 GLU A CD 821 O OE1 . GLU A 138 ? 1.1804 1.3222 1.3332 0.0398 0.0623 0.3908 162 GLU A OE1 822 O OE2 . GLU A 138 ? 1.2001 1.3628 1.3303 0.0191 0.0696 0.3889 162 GLU A OE2 823 N N . LYS A 139 ? 0.8160 0.8114 1.0041 -0.0402 0.0948 0.3591 163 LYS A N 824 C CA . LYS A 139 ? 0.8349 0.8189 1.0278 -0.0604 0.0994 0.3533 163 LYS A CA 825 C C . LYS A 139 ? 0.7977 0.8262 0.9788 -0.0657 0.1026 0.3620 163 LYS A C 826 O O . LYS A 139 ? 0.7781 0.8312 0.9475 -0.0555 0.1034 0.3826 163 LYS A O 827 C CB . LYS A 139 ? 0.9245 0.8644 1.1279 -0.0654 0.1031 0.3661 163 LYS A CB 828 C CG . LYS A 139 ? 0.9744 0.8964 1.1866 -0.0885 0.1067 0.3564 163 LYS A CG 829 C CD . LYS A 139 ? 1.0598 0.9484 1.2780 -0.0955 0.1116 0.3757 163 LYS A CD 830 C CE . LYS A 139 ? 1.1109 0.9441 1.3378 -0.0904 0.1092 0.3707 163 LYS A CE 831 N NZ . LYS A 139 ? 1.1743 0.9677 1.4076 -0.1034 0.1134 0.3829 163 LYS A NZ 832 N N . GLY A 140 ? 0.7803 0.8200 0.9640 -0.0807 0.1042 0.3454 164 GLY A N 833 C CA . GLY A 140 ? 0.8275 0.9088 1.0025 -0.0858 0.1086 0.3505 164 GLY A CA 834 C C . GLY A 140 ? 0.8539 0.9791 1.0117 -0.0753 0.1050 0.3420 164 GLY A C 835 O O . GLY A 140 ? 0.9086 1.0711 1.0564 -0.0764 0.1087 0.3444 164 GLY A O 836 N N . ASP A 141 ? 0.8451 0.9662 0.9992 -0.0653 0.0983 0.3314 165 ASP A N 837 C CA . ASP A 141 ? 0.8172 0.9759 0.9548 -0.0576 0.0942 0.3200 165 ASP A CA 838 C C . ASP A 141 ? 0.7495 0.9150 0.8907 -0.0689 0.0945 0.2964 165 ASP A C 839 O O . ASP A 141 ? 0.7221 0.8570 0.8785 -0.0792 0.0939 0.2835 165 ASP A O 840 C CB . ASP A 141 ? 0.8786 1.0310 1.0133 -0.0454 0.0874 0.3167 165 ASP A CB 841 C CG . ASP A 141 ? 0.9805 1.1460 1.1064 -0.0299 0.0848 0.3396 165 ASP A CG 842 O OD1 . ASP A 141 ? 1.0468 1.2357 1.1612 -0.0272 0.0873 0.3552 165 ASP A OD1 843 O OD2 . ASP A 141 ? 0.9836 1.1377 1.1143 -0.0196 0.0801 0.3423 165 ASP A OD2 844 N N . ARG A 142 ? 0.7315 0.9375 0.8575 -0.0658 0.0949 0.2902 166 ARG A N 845 C CA . ARG A 142 ? 0.7142 0.9329 0.8437 -0.0742 0.0957 0.2703 166 ARG A CA 846 C C . ARG A 142 ? 0.6378 0.8684 0.7552 -0.0682 0.0897 0.2510 166 ARG A C 847 O O . ARG A 142 ? 0.6056 0.8611 0.7033 -0.0569 0.0870 0.2526 166 ARG A O 848 C CB . ARG A 142 ? 0.7907 1.0467 0.9138 -0.0748 0.1023 0.2761 166 ARG A CB 849 C CG . ARG A 142 ? 0.8749 1.1219 1.0096 -0.0827 0.1096 0.2966 166 ARG A CG 850 C CD . ARG A 142 ? 0.9102 1.1972 1.0388 -0.0830 0.1177 0.3026 166 ARG A CD 851 N NE . ARG A 142 ? 0.8897 1.1939 1.0284 -0.0899 0.1192 0.2839 166 ARG A NE 852 C CZ . ARG A 142 ? 0.9018 1.1948 1.0649 -0.1055 0.1222 0.2809 166 ARG A CZ 853 N NH1 . ARG A 142 ? 0.9166 1.1776 1.0948 -0.1170 0.1245 0.2941 166 ARG A NH1 854 N NH2 . ARG A 142 ? 0.8493 1.1638 1.0220 -0.1094 0.1225 0.2643 166 ARG A NH2 855 N N . ALA A 143 ? 0.5721 0.7846 0.7006 -0.0764 0.0871 0.2326 167 ALA A N 856 C CA . ALA A 143 ? 0.4738 0.6850 0.5877 -0.0692 0.0776 0.2042 167 ALA A CA 857 C C . ALA A 143 ? 0.4453 0.6694 0.5606 -0.0735 0.0767 0.1858 167 ALA A C 858 O O . ALA A 143 ? 0.4643 0.6787 0.5986 -0.0852 0.0791 0.1856 167 ALA A O 859 C CB . ALA A 143 ? 0.4593 0.6305 0.5789 -0.0699 0.0718 0.1929 167 ALA A CB 860 N N . TYR A 144 ? 0.4113 0.6569 0.5072 -0.0637 0.0725 0.1698 168 TYR A N 861 C CA . TYR A 144 ? 0.4076 0.6670 0.5036 -0.0636 0.0711 0.1523 168 TYR A CA 862 C C . TYR A 144 ? 0.3859 0.6537 0.4574 -0.0509 0.0639 0.1312 168 TYR A C 863 O O . TYR A 144 ? 0.4065 0.6770 0.4616 -0.0438 0.0607 0.1315 168 TYR A O 864 C CB . TYR A 144 ? 0.4557 0.7520 0.5620 -0.0668 0.0817 0.1669 168 TYR A CB 865 C CG . TYR A 144 ? 0.4591 0.7896 0.5475 -0.0573 0.0881 0.1808 168 TYR A CG 866 C CD1 . TYR A 144 ? 0.4716 0.8023 0.5607 -0.0595 0.0937 0.2072 168 TYR A CD1 867 C CD2 . TYR A 144 ? 0.4637 0.8251 0.5325 -0.0450 0.0881 0.1672 168 TYR A CD2 868 C CE1 . TYR A 144 ? 0.5227 0.8838 0.5914 -0.0496 0.0976 0.2192 168 TYR A CE1 869 C CE2 . TYR A 144 ? 0.5239 0.9173 0.5724 -0.0357 0.0935 0.1780 168 TYR A CE2 870 C CZ . TYR A 144 ? 0.5490 0.9447 0.5968 -0.0386 0.0985 0.2053 168 TYR A CZ 871 O OH . TYR A 144 ? 0.6068 1.0292 0.6311 -0.0277 0.1003 0.2133 168 TYR A OH 872 N N . LEU A 145 ? 0.3550 0.6263 0.4251 -0.0482 0.0606 0.1127 169 LEU A N 873 C CA . LEU A 145 ? 0.3741 0.6467 0.4216 -0.0365 0.0536 0.0913 169 LEU A CA 874 C C . LEU A 145 ? 0.4177 0.7298 0.4555 -0.0259 0.0587 0.0883 169 LEU A C 875 O O . LEU A 145 ? 0.5001 0.8350 0.5530 -0.0273 0.0655 0.0931 169 LEU A O 876 C CB . LEU A 145 ? 0.4057 0.6498 0.4541 -0.0375 0.0454 0.0719 169 LEU A CB 877 C CG . LEU A 145 ? 0.4913 0.6968 0.5471 -0.0472 0.0414 0.0720 169 LEU A CG 878 C CD1 . LEU A 145 ? 0.5264 0.7078 0.5776 -0.0465 0.0335 0.0535 169 LEU A CD1 879 C CD2 . LEU A 145 ? 0.5288 0.7212 0.5741 -0.0462 0.0393 0.0742 169 LEU A CD2 880 N N . LYS A 146 ? 0.4103 0.7317 0.4235 -0.0154 0.0555 0.0793 170 LYS A N 881 C CA . LYS A 146 ? 0.4547 0.8115 0.4528 -0.0026 0.0601 0.0724 170 LYS A CA 882 C C . LYS A 146 ? 0.4262 0.7684 0.4027 0.0084 0.0504 0.0446 170 LYS A C 883 O O . LYS A 146 ? 0.3827 0.6973 0.3480 0.0064 0.0409 0.0351 170 LYS A O 884 C CB . LYS A 146 ? 0.6073 0.9937 0.5916 0.0005 0.0662 0.0890 170 LYS A CB 885 C CG . LYS A 146 ? 0.7704 1.2006 0.7415 0.0125 0.0757 0.0875 170 LYS A CG 886 C CD . LYS A 146 ? 0.8672 1.3244 0.8165 0.0172 0.0794 0.1017 170 LYS A CD 887 C CE . LYS A 146 ? 0.9059 1.3938 0.8254 0.0339 0.0815 0.0850 170 LYS A CE 888 N NZ . LYS A 146 ? 0.9050 1.3806 0.7959 0.0397 0.0678 0.0683 170 LYS A NZ 889 N N . LEU A 147 ? 0.4427 0.8033 0.4153 0.0201 0.0534 0.0318 171 LEU A N 890 C CA . LEU A 147 ? 0.4705 0.8159 0.4220 0.0329 0.0451 0.0050 171 LEU A CA 891 C C . LEU A 147 ? 0.5253 0.8924 0.4484 0.0435 0.0457 -0.0029 171 LEU A C 892 O O . LEU A 147 ? 0.5423 0.9462 0.4584 0.0551 0.0549 -0.0037 171 LEU A O 893 C CB . LEU A 147 ? 0.4561 0.8106 0.4175 0.0434 0.0475 -0.0057 171 LEU A CB 894 C CG . LEU A 147 ? 0.4989 0.8253 0.4432 0.0564 0.0376 -0.0324 171 LEU A CG 895 C CD1 . LEU A 147 ? 0.4568 0.7336 0.4038 0.0462 0.0265 -0.0364 171 LEU A CD1 896 C CD2 . LEU A 147 ? 0.5178 0.8661 0.4713 0.0720 0.0420 -0.0411 171 LEU A CD2 897 N N . GLU A 148 ? 0.5543 0.9008 0.4614 0.0394 0.0359 -0.0093 172 GLU A N 898 C CA . GLU A 148 ? 0.5630 0.9295 0.4422 0.0471 0.0337 -0.0169 172 GLU A CA 899 C C . GLU A 148 ? 0.5541 0.9200 0.4098 0.0634 0.0306 -0.0455 172 GLU A C 900 O O . GLU A 148 ? 0.6845 1.0776 0.5161 0.0736 0.0325 -0.0526 172 GLU A O 901 C CB . GLU A 148 ? 0.6620 1.0077 0.5348 0.0370 0.0219 -0.0176 172 GLU A CB 902 C CG . GLU A 148 ? 0.8058 1.1534 0.6990 0.0244 0.0247 0.0097 172 GLU A CG 903 C CD . GLU A 148 ? 0.9910 1.3727 0.8717 0.0267 0.0265 0.0256 172 GLU A CD 904 O OE1 . GLU A 148 ? 1.0395 1.4561 0.9108 0.0350 0.0366 0.0342 172 GLU A OE1 905 O OE2 . GLU A 148 ? 1.0593 1.4351 0.9395 0.0208 0.0179 0.0303 172 GLU A OE2 906 N N . ARG A 149 ? 0.5022 0.8355 0.3627 0.0668 0.0254 -0.0621 173 ARG A N 907 C CA . ARG A 149 ? 0.5790 0.9039 0.4180 0.0836 0.0218 -0.0902 173 ARG A CA 908 C C . ARG A 149 ? 0.6156 0.9147 0.4680 0.0901 0.0205 -0.0990 173 ARG A C 909 O O . ARG A 149 ? 0.5836 0.8600 0.4565 0.0786 0.0178 -0.0882 173 ARG A O 910 C CB . ARG A 149 ? 0.5688 0.8649 0.3836 0.0803 0.0080 -0.1101 173 ARG A CB 911 C CG . ARG A 149 ? 0.6815 0.9249 0.5037 0.0693 -0.0030 -0.1177 173 ARG A CG 912 C CD . ARG A 149 ? 0.8215 1.0431 0.6263 0.0602 -0.0159 -0.1322 173 ARG A CD 913 N NE . ARG A 149 ? 0.9749 1.1958 0.7506 0.0740 -0.0207 -0.1596 173 ARG A NE 914 C CZ . ARG A 149 ? 1.0964 1.2883 0.8552 0.0684 -0.0337 -0.1811 173 ARG A CZ 915 N NH1 . ARG A 149 ? 1.1217 1.2863 0.8919 0.0487 -0.0424 -0.1768 173 ARG A NH1 916 N NH2 . ARG A 149 ? 1.1499 1.3403 0.8809 0.0820 -0.0378 -0.2077 173 ARG A NH2 917 N N . GLY A 150 ? 0.6756 0.9791 0.5154 0.1103 0.0221 -0.1191 174 GLY A N 918 C CA . GLY A 150 ? 0.6547 0.9377 0.5058 0.1210 0.0201 -0.1279 174 GLY A CA 919 C C . GLY A 150 ? 0.5947 0.9131 0.4767 0.1211 0.0305 -0.1086 174 GLY A C 920 O O . GLY A 150 ? 0.5935 0.9530 0.4863 0.1143 0.0412 -0.0896 174 GLY A O 921 N N . ASN A 151 ? 0.5613 0.8638 0.4580 0.1284 0.0268 -0.1127 175 ASN A N 922 C CA . ASN A 151 ? 0.5566 0.8913 0.4860 0.1267 0.0338 -0.0963 175 ASN A CA 923 C C . ASN A 151 ? 0.5868 0.8848 0.5306 0.1193 0.0232 -0.0931 175 ASN A C 924 O O . ASN A 151 ? 0.5553 0.8032 0.4825 0.1188 0.0119 -0.1041 175 ASN A O 925 C CB . ASN A 151 ? 0.5717 0.9482 0.5075 0.1505 0.0429 -0.1055 175 ASN A CB 926 C CG . ASN A 151 ? 0.6535 0.9985 0.5752 0.1732 0.0340 -0.1302 175 ASN A CG 927 O OD1 . ASN A 151 ? 0.6817 0.9950 0.6125 0.1740 0.0238 -0.1315 175 ASN A OD1 928 N ND2 . ASN A 151 ? 0.7118 1.0647 0.6097 0.1929 0.0380 -0.1500 175 ASN A ND2 929 N N . LEU A 152 ? 0.5674 0.8913 0.5415 0.1126 0.0268 -0.0777 176 LEU A N 930 C CA . LEU A 152 ? 0.4985 0.7943 0.4862 0.1052 0.0167 -0.0738 176 LEU A CA 931 C C . LEU A 152 ? 0.5518 0.8713 0.5588 0.1226 0.0150 -0.0790 176 LEU A C 932 O O . LEU A 152 ? 0.5319 0.8634 0.5642 0.1144 0.0120 -0.0688 176 LEU A O 933 C CB . LEU A 152 ? 0.4025 0.7034 0.4100 0.0805 0.0191 -0.0529 176 LEU A CB 934 C CG . LEU A 152 ? 0.3605 0.6365 0.3533 0.0638 0.0193 -0.0460 176 LEU A CG 935 C CD1 . LEU A 152 ? 0.3450 0.6274 0.3598 0.0429 0.0229 -0.0258 176 LEU A CD1 936 C CD2 . LEU A 152 ? 0.3401 0.5609 0.3102 0.0628 0.0079 -0.0577 176 LEU A CD2 937 N N . MET A 153 ? 0.5503 0.8776 0.5457 0.1473 0.0163 -0.0959 177 MET A N 938 C CA . MET A 153 ? 0.5909 0.9360 0.6027 0.1683 0.0129 -0.1031 177 MET A CA 939 C C . MET A 153 ? 0.5811 0.8748 0.5870 0.1674 -0.0037 -0.1054 177 MET A C 940 O O . MET A 153 ? 0.5985 0.8381 0.5777 0.1612 -0.0109 -0.1103 177 MET A O 941 C CB . MET A 153 ? 0.7091 1.0643 0.7052 0.1976 0.0174 -0.1232 177 MET A CB 942 C CG . MET A 153 ? 0.7499 1.1624 0.7497 0.2022 0.0353 -0.1216 177 MET A CG 943 S SD . MET A 153 ? 1.5218 2.0129 1.5699 0.1966 0.0483 -0.1019 177 MET A SD 944 C CE . MET A 153 ? 0.7409 1.2481 0.8089 0.2278 0.0417 -0.1160 177 MET A CE 945 N N . GLY A 154 ? 0.5616 0.8744 0.5924 0.1731 -0.0098 -0.1010 178 GLY A N 946 C CA . GLY A 154 ? 0.5077 0.7776 0.5330 0.1705 -0.0257 -0.0997 178 GLY A CA 947 C C . GLY A 154 ? 0.4884 0.7545 0.5254 0.1413 -0.0276 -0.0837 178 GLY A C 948 O O . GLY A 154 ? 0.5608 0.7931 0.5913 0.1352 -0.0396 -0.0810 178 GLY A O 949 N N . GLY A 155 ? 0.4451 0.7446 0.4973 0.1241 -0.0154 -0.0730 179 GLY A N 950 C CA . GLY A 155 ? 0.4184 0.7157 0.4838 0.0973 -0.0156 -0.0584 179 GLY A CA 951 C C . GLY A 155 ? 0.4085 0.6552 0.4477 0.0819 -0.0170 -0.0563 179 GLY A C 952 O O . GLY A 155 ? 0.3478 0.5588 0.3590 0.0903 -0.0197 -0.0662 179 GLY A O 953 N N . TRP A 156 ? 0.3927 0.6370 0.4426 0.0592 -0.0151 -0.0439 180 TRP A N 954 C CA . TRP A 156 ? 0.3844 0.5851 0.4143 0.0445 -0.0159 -0.0409 180 TRP A CA 955 C C . TRP A 156 ? 0.4206 0.6031 0.4580 0.0294 -0.0230 -0.0349 180 TRP A C 956 O O . TRP A 156 ? 0.4030 0.5749 0.4432 0.0118 -0.0188 -0.0262 180 TRP A O 957 C CB . TRP A 156 ? 0.3255 0.5408 0.3567 0.0337 -0.0038 -0.0319 180 TRP A CB 958 C CG . TRP A 156 ? 0.3338 0.5884 0.3945 0.0211 0.0047 -0.0171 180 TRP A CG 959 C CD1 . TRP A 156 ? 0.2704 0.5166 0.3419 0.0014 0.0074 -0.0045 180 TRP A CD1 960 C CD2 . TRP A 156 ? 0.3353 0.6423 0.4188 0.0271 0.0126 -0.0130 180 TRP A CD2 961 N NE1 . TRP A 156 ? 0.2629 0.5493 0.3624 -0.0067 0.0157 0.0080 180 TRP A NE1 962 C CE2 . TRP A 156 ? 0.2677 0.5942 0.3757 0.0080 0.0196 0.0037 180 TRP A CE2 963 C CE3 . TRP A 156 ? 0.3517 0.6911 0.4380 0.0472 0.0153 -0.0218 180 TRP A CE3 964 C CZ2 . TRP A 156 ? 0.4071 0.7853 0.5431 0.0059 0.0295 0.0134 180 TRP A CZ2 965 C CZ3 . TRP A 156 ? 0.3567 0.7514 0.4710 0.0470 0.0258 -0.0131 180 TRP A CZ3 966 C CH2 . TRP A 156 ? 0.3864 0.8006 0.5256 0.0253 0.0330 0.0051 180 TRP A CH2 967 N N . LYS A 157 ? 0.4359 0.6149 0.4753 0.0382 -0.0343 -0.0403 181 LYS A N 968 C CA . LYS A 157 ? 0.4459 0.6078 0.4878 0.0265 -0.0434 -0.0376 181 LYS A CA 969 C C . LYS A 157 ? 0.3969 0.5080 0.4113 0.0168 -0.0441 -0.0373 181 LYS A C 970 O O . LYS A 157 ? 0.4101 0.4942 0.4013 0.0235 -0.0427 -0.0418 181 LYS A O 971 C CB . LYS A 157 ? 0.5186 0.6848 0.5615 0.0419 -0.0573 -0.0443 181 LYS A CB 972 C CG . LYS A 157 ? 0.5248 0.6797 0.5694 0.0315 -0.0691 -0.0431 181 LYS A CG 973 C CD . LYS A 157 ? 0.5463 0.7127 0.5933 0.0496 -0.0841 -0.0488 181 LYS A CD 974 C CE . LYS A 157 ? 0.5340 0.6899 0.5783 0.0403 -0.0981 -0.0489 181 LYS A CE 975 N NZ . LYS A 157 ? 0.5403 0.7019 0.5804 0.0606 -0.1149 -0.0534 181 LYS A NZ 976 N N . TYR A 158 ? 0.3699 0.4694 0.3882 0.0006 -0.0459 -0.0329 182 TYR A N 977 C CA . TYR A 158 ? 0.3605 0.4175 0.3566 -0.0099 -0.0446 -0.0318 182 TYR A CA 978 C C . TYR A 158 ? 0.3558 0.4102 0.3534 -0.0194 -0.0319 -0.0258 182 TYR A C 979 O O . TYR A 158 ? 0.3384 0.3629 0.3214 -0.0274 -0.0289 -0.0246 182 TYR A O 980 C CB . TYR A 158 ? 0.4072 0.4262 0.3716 0.0008 -0.0510 -0.0377 182 TYR A CB 981 C CG . TYR A 158 ? 0.4564 0.4724 0.4145 0.0115 -0.0650 -0.0417 182 TYR A CG 982 C CD1 . TYR A 158 ? 0.4869 0.4963 0.4433 0.0028 -0.0723 -0.0413 182 TYR A CD1 983 C CD2 . TYR A 158 ? 0.4734 0.4928 0.4262 0.0314 -0.0716 -0.0466 182 TYR A CD2 984 C CE1 . TYR A 158 ? 0.5185 0.5278 0.4680 0.0129 -0.0869 -0.0445 182 TYR A CE1 985 C CE2 . TYR A 158 ? 0.5028 0.5208 0.4503 0.0432 -0.0857 -0.0489 182 TYR A CE2 986 C CZ . TYR A 158 ? 0.5436 0.5580 0.4893 0.0335 -0.0938 -0.0473 182 TYR A CZ 987 O OH . TYR A 158 ? 0.6387 0.6541 0.5777 0.0454 -0.1097 -0.0492 182 TYR A OH 988 N N . SER A 159 ? 0.3972 0.4850 0.4120 -0.0178 -0.0244 -0.0215 183 SER A N 989 C CA . SER A 159 ? 0.4862 0.5758 0.5030 -0.0258 -0.0139 -0.0140 183 SER A CA 990 C C . SER A 159 ? 0.4076 0.4919 0.4382 -0.0419 -0.0102 -0.0055 183 SER A C 991 O O . SER A 159 ? 0.2754 0.3694 0.3221 -0.0479 -0.0140 -0.0045 183 SER A O 992 C CB . SER A 159 ? 0.5416 0.6702 0.5706 -0.0195 -0.0067 -0.0101 183 SER A CB 993 O OG . SER A 159 ? 0.2861 0.4151 0.2994 -0.0035 -0.0094 -0.0205 183 SER A OG 994 N N . THR A 160 ? 0.2713 0.3400 0.2967 -0.0486 -0.0036 -0.0002 184 THR A N 995 C CA . THR A 160 ? 0.3135 0.3716 0.3503 -0.0615 0.0006 0.0071 184 THR A CA 996 C C . THR A 160 ? 0.2613 0.3302 0.3069 -0.0647 0.0104 0.0191 184 THR A C 997 O O . THR A 160 ? 0.2590 0.3314 0.2937 -0.0587 0.0126 0.0190 184 THR A O 998 C CB . THR A 160 ? 0.3570 0.3767 0.3761 -0.0653 -0.0019 0.0008 184 THR A CB 999 O OG1 . THR A 160 ? 0.4119 0.4178 0.4155 -0.0622 0.0020 0.0001 184 THR A OG1 1000 C CG2 . THR A 160 ? 0.4246 0.4319 0.4298 -0.0608 -0.0124 -0.0095 184 THR A CG2 1001 N N . PHE A 161 ? 0.2608 0.3338 0.3258 -0.0744 0.0151 0.0293 185 PHE A N 1002 C CA . PHE A 161 ? 0.3016 0.3814 0.3755 -0.0771 0.0238 0.0436 185 PHE A CA 1003 C C . PHE A 161 ? 0.2940 0.3516 0.3804 -0.0876 0.0266 0.0491 185 PHE A C 1004 O O . PHE A 161 ? 0.3899 0.4491 0.4919 -0.0962 0.0249 0.0501 185 PHE A O 1005 C CB . PHE A 161 ? 0.3696 0.4877 0.4566 -0.0754 0.0288 0.0550 185 PHE A CB 1006 C CG . PHE A 161 ? 0.3392 0.4668 0.4319 -0.0764 0.0371 0.0721 185 PHE A CG 1007 C CD1 . PHE A 161 ? 0.3566 0.4663 0.4400 -0.0739 0.0380 0.0738 185 PHE A CD1 1008 C CD2 . PHE A 161 ? 0.3089 0.4656 0.4167 -0.0793 0.0441 0.0878 185 PHE A CD2 1009 C CE1 . PHE A 161 ? 0.3344 0.4548 0.4231 -0.0728 0.0440 0.0906 185 PHE A CE1 1010 C CE2 . PHE A 161 ? 0.2910 0.4558 0.4013 -0.0790 0.0511 0.1058 185 PHE A CE2 1011 C CZ . PHE A 161 ? 0.3012 0.4476 0.4016 -0.0750 0.0502 0.1071 185 PHE A CZ 1012 N N . SER A 162 ? 0.2890 0.3263 0.3700 -0.0868 0.0304 0.0516 186 SER A N 1013 C CA . SER A 162 ? 0.3352 0.3465 0.4257 -0.0938 0.0336 0.0544 186 SER A CA 1014 C C . SER A 162 ? 0.3178 0.3256 0.4129 -0.0900 0.0409 0.0668 186 SER A C 1015 O O . SER A 162 ? 0.2739 0.2964 0.3612 -0.0824 0.0418 0.0696 186 SER A O 1016 C CB . SER A 162 ? 0.3819 0.3633 0.4569 -0.0948 0.0292 0.0380 186 SER A CB 1017 O OG . SER A 162 ? 0.4344 0.4109 0.4903 -0.0875 0.0291 0.0315 186 SER A OG 1018 N N . GLY A 163 ? 0.3647 0.3527 0.4733 -0.0948 0.0452 0.0737 187 GLY A N 1019 C CA . GLY A 163 ? 0.3595 0.3422 0.4750 -0.0891 0.0517 0.0866 187 GLY A CA 1020 C C . GLY A 163 ? 0.3975 0.3485 0.5259 -0.0938 0.0556 0.0896 187 GLY A C 1021 O O . GLY A 163 ? 0.4411 0.3788 0.5763 -0.1042 0.0531 0.0846 187 GLY A O 1022 N N . PHE A 164 ? 0.4296 0.3683 0.5623 -0.0857 0.0610 0.0967 188 PHE A N 1023 C CA . PHE A 164 ? 0.4983 0.4025 0.6428 -0.0872 0.0654 0.0989 188 PHE A CA 1024 C C . PHE A 164 ? 0.5240 0.4263 0.6783 -0.0750 0.0715 0.1150 188 PHE A C 1025 O O . PHE A 164 ? 0.4729 0.3988 0.6226 -0.0651 0.0715 0.1189 188 PHE A O 1026 C CB . PHE A 164 ? 0.4664 0.3413 0.5988 -0.0881 0.0645 0.0762 188 PHE A CB 1027 C CG . PHE A 164 ? 0.4059 0.2844 0.5254 -0.0773 0.0674 0.0678 188 PHE A CG 1028 C CD1 . PHE A 164 ? 0.3691 0.2660 0.4719 -0.0776 0.0632 0.0584 188 PHE A CD1 1029 C CD2 . PHE A 164 ? 0.4430 0.3067 0.5689 -0.0668 0.0748 0.0698 188 PHE A CD2 1030 C CE1 . PHE A 164 ? 0.3510 0.2514 0.4441 -0.0704 0.0666 0.0519 188 PHE A CE1 1031 C CE2 . PHE A 164 ? 0.4185 0.2906 0.5364 -0.0583 0.0786 0.0627 188 PHE A CE2 1032 C CZ . PHE A 164 ? 0.3500 0.2404 0.4517 -0.0615 0.0746 0.0541 188 PHE A CZ 1033 N N . LEU A 165 ? 0.5846 0.4583 0.7533 -0.0756 0.0757 0.1242 189 LEU A N 1034 C CA . LEU A 165 ? 0.5846 0.4510 0.7639 -0.0616 0.0811 0.1396 189 LEU A CA 1035 C C . LEU A 165 ? 0.5345 0.3849 0.7092 -0.0503 0.0846 0.1235 189 LEU A C 1036 O O . LEU A 165 ? 0.5307 0.3470 0.7025 -0.0531 0.0866 0.1073 189 LEU A O 1037 C CB . LEU A 165 ? 0.6322 0.4673 0.8282 -0.0657 0.0847 0.1552 189 LEU A CB 1038 C CG . LEU A 165 ? 0.6902 0.5095 0.8982 -0.0490 0.0900 0.1716 189 LEU A CG 1039 C CD1 . LEU A 165 ? 0.6703 0.5296 0.8795 -0.0386 0.0889 0.1951 189 LEU A CD1 1040 C CD2 . LEU A 165 ? 0.7573 0.5349 0.9781 -0.0544 0.0926 0.1807 189 LEU A CD2 1041 N N . VAL A 166 ? 0.4973 0.3744 0.6714 -0.0379 0.0854 0.1275 190 VAL A N 1042 C CA . VAL A 166 ? 0.5107 0.3805 0.6838 -0.0268 0.0905 0.1144 190 VAL A CA 1043 C C . VAL A 166 ? 0.5699 0.4100 0.7591 -0.0142 0.0971 0.1219 190 VAL A C 1044 O O . VAL A 166 ? 0.5588 0.3668 0.7459 -0.0113 0.1026 0.1060 190 VAL A O 1045 C CB . VAL A 166 ? 0.4369 0.3475 0.6099 -0.0188 0.0888 0.1175 190 VAL A CB 1046 C CG1 . VAL A 166 ? 0.4322 0.3394 0.6060 -0.0100 0.0956 0.1032 190 VAL A CG1 1047 C CG2 . VAL A 166 ? 0.4155 0.3514 0.5725 -0.0303 0.0817 0.1112 190 VAL A CG2 1048 N N . PHE A 167 ? 0.5943 0.4446 0.7980 -0.0055 0.0965 0.1462 191 PHE A N 1049 C CA . PHE A 167 ? 0.6498 0.4677 0.8696 0.0068 0.1017 0.1579 191 PHE A CA 1050 C C . PHE A 167 ? 0.6769 0.5053 0.9067 0.0097 0.0989 0.1890 191 PHE A C 1051 O O . PHE A 167 ? 0.6957 0.5663 0.9216 0.0100 0.0937 0.2010 191 PHE A O 1052 C CB . PHE A 167 ? 0.6702 0.4918 0.8994 0.0275 0.1077 0.1524 191 PHE A CB 1053 C CG . PHE A 167 ? 0.6377 0.5117 0.8703 0.0356 0.1042 0.1589 191 PHE A CG 1054 C CD1 . PHE A 167 ? 0.6701 0.5706 0.9134 0.0454 0.0992 0.1844 191 PHE A CD1 1055 C CD2 . PHE A 167 ? 0.6061 0.5022 0.8306 0.0329 0.1055 0.1397 191 PHE A CD2 1056 C CE1 . PHE A 167 ? 0.6549 0.6047 0.9015 0.0517 0.0940 0.1882 191 PHE A CE1 1057 C CE2 . PHE A 167 ? 0.6138 0.5568 0.8436 0.0378 0.1015 0.1444 191 PHE A CE2 1058 C CZ . PHE A 167 ? 0.6343 0.6048 0.8755 0.0470 0.0950 0.1675 191 PHE A CZ 1059 N N . PRO A 168 ? 0.7325 0.5208 0.9736 0.0115 0.1022 0.2022 192 PRO A N 1060 C CA . PRO A 168 ? 0.7622 0.5568 1.0111 0.0139 0.1007 0.2351 192 PRO A CA 1061 C C . PRO A 168 ? 0.7731 0.5866 1.0324 0.0387 0.1003 0.2542 192 PRO A C 1062 O O . PRO A 168 ? 0.7580 0.5766 1.0229 0.0538 0.1023 0.2409 192 PRO A O 1063 C CB . PRO A 168 ? 0.8498 0.5941 1.1028 0.0057 0.1028 0.2349 192 PRO A CB 1064 C CG . PRO A 168 ? 0.8757 0.5817 1.1311 0.0125 0.1075 0.2098 192 PRO A CG 1065 C CD . PRO A 168 ? 0.8011 0.5339 1.0463 0.0104 0.1075 0.1873 192 PRO A CD 1066 N N . LEU A 169 ? 0.8156 0.6423 1.0775 0.0429 0.0978 0.2856 193 LEU A N 1067 C CA . LEU A 169 ? 0.8491 0.6949 1.1208 0.0674 0.0953 0.3073 193 LEU A CA 1068 C C . LEU A 169 ? 0.9384 0.7635 1.2110 0.0708 0.0948 0.3312 193 LEU A C 1069 O O . LEU A 169 ? 0.9654 0.7855 1.2273 0.0523 0.0944 0.3360 193 LEU A O 1070 C CB . LEU A 169 ? 0.7763 0.6862 1.0379 0.0698 0.0868 0.3123 193 LEU A CB 1071 C CG . LEU A 169 ? 0.6929 0.6345 0.9477 0.0644 0.0841 0.2824 193 LEU A CG 1072 C CD1 . LEU A 169 ? 0.7101 0.7084 0.9526 0.0627 0.0748 0.2886 193 LEU A CD1 1073 C CD2 . LEU A 169 ? 0.6304 0.5705 0.9010 0.0821 0.0870 0.2691 193 LEU A CD2 1074 N N . GLY A 170 ? 0.9903 0.8069 1.2746 0.0942 0.0945 0.3432 194 GLY A N 1075 C CA . GLY A 170 ? 1.0812 0.8795 1.3636 0.0991 0.0931 0.3652 194 GLY A CA 1076 C C . GLY A 170 ? 1.1084 0.9552 1.3862 0.1125 0.0859 0.3924 194 GLY A C 1077 O O . GLY A 170 ? 1.0662 0.9601 1.3443 0.1194 0.0809 0.3924 194 GLY A O 1078 N N . THR A 171 ? 1.1669 1.0022 1.4390 0.1157 0.0845 0.4153 195 THR A N 1079 C CA . THR A 171 ? 1.1756 1.0547 1.4397 0.1288 0.0770 0.4412 195 THR A CA 1080 C C . THR A 171 ? 1.1515 1.0438 1.4307 0.1586 0.0719 0.4467 195 THR A C 1081 O O . THR A 171 ? 1.1339 1.0749 1.4095 0.1717 0.0630 0.4608 195 THR A O 1082 C CB . THR A 171 ? 1.2703 1.1312 1.5220 0.1225 0.0781 0.4650 195 THR A CB 1083 O OG1 . THR A 171 ? 1.4018 1.2046 1.6631 0.1291 0.0820 0.4670 195 THR A OG1 1084 C CG2 . THR A 171 ? 1.2095 1.0702 1.4482 0.0937 0.0828 0.4603 195 THR A CG2 1085 N N . SER B 35 ? 1.0207 0.6999 1.3710 0.1349 0.1156 0.0925 59 SER B N 1086 C CA . SER B 35 ? 1.0165 0.7141 1.3389 0.1250 0.1060 0.1178 59 SER B CA 1087 C C . SER B 35 ? 1.0059 0.7162 1.3052 0.1104 0.1076 0.0977 59 SER B C 1088 O O . SER B 35 ? 0.9719 0.7109 1.2611 0.1185 0.1048 0.0906 59 SER B O 1089 C CB . SER B 35 ? 0.9735 0.7080 1.2868 0.1424 0.0923 0.1491 59 SER B CB 1090 O OG . SER B 35 ? 0.9140 0.6698 1.1982 0.1323 0.0840 0.1700 59 SER B OG 1091 N N . ALA B 36 ? 0.9898 0.6793 1.2811 0.0880 0.1116 0.0885 60 ALA B N 1092 C CA . ALA B 36 ? 0.8812 0.5941 1.1384 0.0686 0.1070 0.0678 60 ALA B CA 1093 C C . ALA B 36 ? 0.8068 0.5487 1.0381 0.0627 0.0948 0.0938 60 ALA B C 1094 O O . ALA B 36 ? 0.8119 0.5736 1.0160 0.0465 0.0886 0.0812 60 ALA B O 1095 C CB . ALA B 36 ? 0.8862 0.5724 1.1456 0.0453 0.1148 0.0373 60 ALA B CB 1096 N N . LYS B 37 ? 0.7346 0.4801 0.9745 0.0766 0.0913 0.1300 61 LYS B N 1097 C CA . LYS B 37 ? 0.6817 0.4575 0.8978 0.0727 0.0818 0.1542 61 LYS B CA 1098 C C . LYS B 37 ? 0.6987 0.5149 0.8958 0.0880 0.0714 0.1622 61 LYS B C 1099 O O . LYS B 37 ? 0.7556 0.5783 0.9644 0.1070 0.0688 0.1816 61 LYS B O 1100 C CB . LYS B 37 ? 0.7123 0.4764 0.9394 0.0728 0.0836 0.1862 61 LYS B CB 1101 C CG . LYS B 37 ? 0.8050 0.5329 1.0497 0.0535 0.0933 0.1793 61 LYS B CG 1102 C CD . LYS B 37 ? 0.8508 0.5731 1.1006 0.0529 0.0939 0.2086 61 LYS B CD 1103 C CE . LYS B 37 ? 0.8959 0.5861 1.1618 0.0305 0.1033 0.2027 61 LYS B CE 1104 N NZ . LYS B 37 ? 0.9609 0.6522 1.2248 0.0258 0.1043 0.2344 61 LYS B NZ 1105 N N . VAL B 38 ? 0.6484 0.4925 0.8167 0.0789 0.0644 0.1461 62 VAL B N 1106 C CA . VAL B 38 ? 0.5557 0.4366 0.7049 0.0891 0.0548 0.1494 62 VAL B CA 1107 C C . VAL B 38 ? 0.5198 0.4255 0.6398 0.0776 0.0469 0.1475 62 VAL B C 1108 O O . VAL B 38 ? 0.4926 0.3941 0.6012 0.0632 0.0465 0.1276 62 VAL B O 1109 C CB . VAL B 38 ? 0.5023 0.3880 0.6517 0.0927 0.0562 0.1239 62 VAL B CB 1110 C CG1 . VAL B 38 ? 0.4277 0.3510 0.5587 0.0993 0.0465 0.1261 62 VAL B CG1 1111 C CG2 . VAL B 38 ? 0.6015 0.4665 0.7850 0.1069 0.0650 0.1230 62 VAL B CG2 1112 N N . ALA B 39 ? 0.4686 0.4013 0.5768 0.0849 0.0403 0.1678 63 ALA B N 1113 C CA . ALA B 39 ? 0.4414 0.3983 0.5255 0.0769 0.0340 0.1654 63 ALA B CA 1114 C C . ALA B 39 ? 0.4444 0.4349 0.5143 0.0878 0.0268 0.1808 63 ALA B C 1115 O O . ALA B 39 ? 0.5117 0.5076 0.5897 0.0989 0.0269 0.2035 63 ALA B O 1116 C CB . ALA B 39 ? 0.4745 0.4235 0.5634 0.0644 0.0390 0.1725 63 ALA B CB 1117 N N . PHE B 40 ? 0.3924 0.4050 0.4410 0.0846 0.0200 0.1682 64 PHE B N 1118 C CA . PHE B 40 ? 0.4168 0.4629 0.4497 0.0923 0.0133 0.1766 64 PHE B CA 1119 C C . PHE B 40 ? 0.4403 0.5034 0.4550 0.0855 0.0104 0.1665 64 PHE B C 1120 O O . PHE B 40 ? 0.4300 0.4810 0.4431 0.0770 0.0100 0.1502 64 PHE B O 1121 C CB . PHE B 40 ? 0.3831 0.4408 0.4137 0.0995 0.0069 0.1665 64 PHE B CB 1122 C CG . PHE B 40 ? 0.3906 0.4464 0.4081 0.0914 0.0033 0.1415 64 PHE B CG 1123 C CD1 . PHE B 40 ? 0.3856 0.4168 0.4083 0.0843 0.0071 0.1261 64 PHE B CD1 1124 C CD2 . PHE B 40 ? 0.3793 0.4566 0.3783 0.0904 -0.0035 0.1336 64 PHE B CD2 1125 C CE1 . PHE B 40 ? 0.3683 0.3964 0.3760 0.0762 0.0034 0.1076 64 PHE B CE1 1126 C CE2 . PHE B 40 ? 0.3612 0.4311 0.3491 0.0831 -0.0070 0.1137 64 PHE B CE2 1127 C CZ . PHE B 40 ? 0.3654 0.4106 0.3566 0.0760 -0.0039 0.1029 64 PHE B CZ 1128 N N . SER B 41 ? 0.3795 0.4726 0.3808 0.0902 0.0079 0.1760 65 SER B N 1129 C CA . SER B 41 ? 0.2855 0.3977 0.2724 0.0864 0.0065 0.1645 65 SER B CA 1130 C C . SER B 41 ? 0.3330 0.4795 0.3019 0.0931 0.0016 0.1659 65 SER B C 1131 O O . SER B 41 ? 0.4292 0.5906 0.3967 0.0950 0.0035 0.1805 65 SER B O 1132 C CB . SER B 41 ? 0.3367 0.4509 0.3302 0.0795 0.0149 0.1742 65 SER B CB 1133 O OG . SER B 41 ? 0.3821 0.5037 0.3728 0.0752 0.0136 0.1560 65 SER B OG 1134 N N . ALA B 42 ? 0.3179 0.4724 0.2755 0.0927 -0.0042 0.1439 66 ALA B N 1135 C CA . ALA B 42 ? 0.3096 0.4960 0.2500 0.0969 -0.0093 0.1383 66 ALA B CA 1136 C C . ALA B 42 ? 0.3321 0.5281 0.2628 0.0950 -0.0092 0.1171 66 ALA B C 1137 O O . ALA B 42 ? 0.3013 0.4752 0.2391 0.0920 -0.0096 0.1038 66 ALA B O 1138 C CB . ALA B 42 ? 0.3095 0.4955 0.2503 0.0989 -0.0175 0.1300 66 ALA B CB 1139 N N . ILE B 43 ? 0.2917 0.5219 0.2065 0.0976 -0.0090 0.1138 67 ILE B N 1140 C CA . ILE B 43 ? 0.3070 0.5486 0.2146 0.0978 -0.0074 0.0908 67 ILE B CA 1141 C C . ILE B 43 ? 0.3576 0.6256 0.2472 0.0992 -0.0129 0.0744 67 ILE B C 1142 O O . ILE B 43 ? 0.3877 0.6790 0.2665 0.1001 -0.0168 0.0861 67 ILE B O 1143 C CB . ILE B 43 ? 0.3504 0.6133 0.2586 0.0976 0.0038 0.0978 67 ILE B CB 1144 C CG1 . ILE B 43 ? 0.4811 0.7831 0.3703 0.0980 0.0082 0.1145 67 ILE B CG1 1145 C CG2 . ILE B 43 ? 0.3280 0.5680 0.2561 0.0935 0.0090 0.1135 67 ILE B CG2 1146 C CD1 . ILE B 43 ? 0.6070 0.9344 0.4945 0.0952 0.0219 0.1226 67 ILE B CD1 1147 N N . ARG B 44 ? 0.4433 0.7073 0.3312 0.0995 -0.0140 0.0470 68 ARG B N 1148 C CA . ARG B 44 ? 0.5356 0.8243 0.4072 0.0991 -0.0175 0.0253 68 ARG B CA 1149 C C . ARG B 44 ? 0.5054 0.8300 0.3652 0.1020 -0.0079 0.0178 68 ARG B C 1150 O O . ARG B 44 ? 0.4992 0.8173 0.3690 0.1055 -0.0014 0.0035 68 ARG B O 1151 C CB . ARG B 44 ? 0.6059 0.8647 0.4839 0.0971 -0.0232 -0.0020 68 ARG B CB 1152 C CG . ARG B 44 ? 0.6580 0.9370 0.5222 0.0943 -0.0269 -0.0288 68 ARG B CG 1153 C CD . ARG B 44 ? 0.6784 0.9811 0.5327 0.0890 -0.0351 -0.0212 68 ARG B CD 1154 N NE . ARG B 44 ? 0.7401 1.0591 0.5840 0.0829 -0.0405 -0.0505 68 ARG B NE 1155 C CZ . ARG B 44 ? 0.7369 1.0862 0.5719 0.0774 -0.0493 -0.0510 68 ARG B CZ 1156 N NH1 . ARG B 44 ? 0.7133 1.0778 0.5514 0.0796 -0.0534 -0.0218 68 ARG B NH1 1157 N NH2 . ARG B 44 ? 0.8042 1.1679 0.6310 0.0697 -0.0541 -0.0816 68 ARG B NH2 1158 N N . SER B 45 ? 0.4515 0.8169 0.2904 0.1009 -0.0071 0.0281 69 SER B N 1159 C CA . SER B 45 ? 0.5185 0.9229 0.3432 0.1014 0.0045 0.0274 69 SER B CA 1160 C C . SER B 45 ? 0.5049 0.9359 0.3160 0.0994 0.0048 -0.0051 69 SER B C 1161 O O . SER B 45 ? 0.5185 0.9806 0.3217 0.0971 0.0140 -0.0072 69 SER B O 1162 C CB . SER B 45 ? 0.5486 0.9658 0.3739 0.0967 0.0066 0.0614 69 SER B CB 1163 O OG . SER B 45 ? 0.5754 1.0008 0.3958 0.0937 -0.0041 0.0649 69 SER B OG 1164 N N . THR B 46 ? 0.4861 0.9043 0.2953 0.0985 -0.0048 -0.0311 70 THR B N 1165 C CA . THR B 46 ? 0.5346 0.9746 0.3335 0.0940 -0.0055 -0.0628 70 THR B CA 1166 C C . THR B 46 ? 0.5655 0.9798 0.3690 0.0955 -0.0091 -0.1017 70 THR B C 1167 O O . THR B 46 ? 0.5743 0.9452 0.3952 0.0956 -0.0156 -0.0991 70 THR B O 1168 C CB . THR B 46 ? 0.5689 1.0297 0.3599 0.0856 -0.0157 -0.0534 70 THR B CB 1169 O OG1 . THR B 46 ? 0.6515 1.0881 0.4514 0.0833 -0.0278 -0.0520 70 THR B OG1 1170 C CG2 . THR B 46 ? 0.5539 1.0345 0.3416 0.0852 -0.0131 -0.0151 70 THR B CG2 1171 N N . ASN B 47 ? 0.6301 1.0596 0.4296 0.0935 -0.0043 -0.1340 71 ASN B N 1172 C CA . ASN B 47 ? 0.7100 1.1118 0.5172 0.0937 -0.0067 -0.1740 71 ASN B CA 1173 C C . ASN B 47 ? 0.6443 1.0335 0.4497 0.0818 -0.0206 -0.1824 71 ASN B C 1174 O O . ASN B 47 ? 0.6482 1.0052 0.4624 0.0792 -0.0238 -0.2120 71 ASN B O 1175 C CB . ASN B 47 ? 0.9315 1.3542 0.7376 0.0936 0.0032 -0.2053 71 ASN B CB 1176 C CG . ASN B 47 ? 1.1566 1.5962 0.9692 0.1040 0.0183 -0.2007 71 ASN B CG 1177 O OD1 . ASN B 47 ? 1.3184 1.7335 1.1508 0.1161 0.0243 -0.2149 71 ASN B OD1 1178 N ND2 . ASN B 47 ? 1.1235 1.6049 0.9220 0.0993 0.0243 -0.1803 71 ASN B ND2 1179 N N . HIS B 48 ? 0.5477 0.9615 0.3456 0.0746 -0.0282 -0.1565 72 HIS B N 1180 C CA . HIS B 48 ? 0.5476 0.9636 0.3463 0.0624 -0.0403 -0.1647 72 HIS B CA 1181 C C . HIS B 48 ? 0.5627 0.9347 0.3737 0.0581 -0.0473 -0.1791 72 HIS B C 1182 O O . HIS B 48 ? 0.5969 0.9327 0.4205 0.0642 -0.0459 -0.1623 72 HIS B O 1183 C CB . HIS B 48 ? 0.5757 1.0189 0.3720 0.0606 -0.0472 -0.1284 72 HIS B CB 1184 C CG . HIS B 48 ? 0.6382 1.1260 0.4203 0.0600 -0.0440 -0.1191 72 HIS B CG 1185 N ND1 . HIS B 48 ? 0.6671 1.1687 0.4436 0.0672 -0.0359 -0.0907 72 HIS B ND1 1186 C CD2 . HIS B 48 ? 0.6712 1.1927 0.4424 0.0518 -0.0478 -0.1347 72 HIS B CD2 1187 C CE1 . HIS B 48 ? 0.6630 1.2041 0.4244 0.0635 -0.0351 -0.0882 72 HIS B CE1 1188 N NE2 . HIS B 48 ? 0.6762 1.2315 0.4333 0.0548 -0.0426 -0.1148 72 HIS B NE2 1189 N N . GLU B 49 ? 0.6097 0.9782 0.4241 0.0449 -0.0533 -0.2058 73 GLU B N 1190 C CA . GLU B 49 ? 0.6384 0.9630 0.4654 0.0365 -0.0588 -0.2237 73 GLU B CA 1191 C C . GLU B 49 ? 0.6421 0.9616 0.4805 0.0304 -0.0667 -0.1948 73 GLU B C 1192 O O . GLU B 49 ? 0.6359 0.9967 0.4674 0.0325 -0.0718 -0.1717 73 GLU B O 1193 C CB . GLU B 49 ? 0.6945 1.0158 0.5257 0.0213 -0.0606 -0.2600 73 GLU B CB 1194 C CG . GLU B 49 ? 0.7547 1.0691 0.5841 0.0266 -0.0506 -0.2898 73 GLU B CG 1195 C CD . GLU B 49 ? 0.7494 1.0089 0.5917 0.0378 -0.0445 -0.3025 73 GLU B CD 1196 O OE1 . GLU B 49 ? 0.7462 0.9609 0.6029 0.0355 -0.0485 -0.2880 73 GLU B OE1 1197 O OE2 . GLU B 49 ? 0.7445 1.0017 0.5894 0.0488 -0.0345 -0.3192 73 GLU B OE2 1198 N N . PRO B 50 ? 0.6468 0.9142 0.5039 0.0232 -0.0668 -0.1946 74 PRO B N 1199 C CA . PRO B 50 ? 0.6737 0.9372 0.5431 0.0151 -0.0720 -0.1729 74 PRO B CA 1200 C C . PRO B 50 ? 0.7556 1.0669 0.6244 0.0018 -0.0820 -0.1836 74 PRO B C 1201 O O . PRO B 50 ? 0.7894 1.1089 0.6554 -0.0109 -0.0852 -0.2168 74 PRO B O 1202 C CB . PRO B 50 ? 0.6498 0.8501 0.5340 0.0061 -0.0689 -0.1797 74 PRO B CB 1203 C CG . PRO B 50 ? 0.6282 0.7946 0.5106 0.0181 -0.0624 -0.1890 74 PRO B CG 1204 C CD . PRO B 50 ? 0.6441 0.8528 0.5121 0.0238 -0.0612 -0.2113 74 PRO B CD 1205 N N . SER B 51 ? 0.7937 1.1366 0.6678 0.0051 -0.0872 -0.1570 75 SER B N 1206 C CA . SER B 51 ? 0.8670 1.2593 0.7464 -0.0058 -0.0986 -0.1637 75 SER B CA 1207 C C . SER B 51 ? 0.9075 1.2735 0.8076 -0.0263 -0.0988 -0.1807 75 SER B C 1208 O O . SER B 51 ? 0.8884 1.1979 0.7971 -0.0296 -0.0903 -0.1769 75 SER B O 1209 C CB . SER B 51 ? 0.8813 1.3046 0.7688 0.0065 -0.1021 -0.1270 75 SER B CB 1210 O OG . SER B 51 ? 0.8879 1.2756 0.7904 0.0110 -0.0962 -0.1056 75 SER B OG 1211 N N . GLU B 52 ? 0.9612 1.3671 0.8700 -0.0407 -0.1076 -0.1965 76 GLU B N 1212 C CA . GLU B 52 ? 0.9928 1.3846 0.9225 -0.0641 -0.1084 -0.2143 76 GLU B CA 1213 C C . GLU B 52 ? 0.9370 1.3101 0.8865 -0.0620 -0.1026 -0.1857 76 GLU B C 1214 O O . GLU B 52 ? 0.8530 1.1881 0.8162 -0.0785 -0.0957 -0.1909 76 GLU B O 1215 C CB . GLU B 52 ? 1.0506 1.4887 0.9918 -0.0766 -0.1156 -0.2277 76 GLU B CB 1216 C CG . GLU B 52 ? 1.0354 1.4590 0.9989 -0.1045 -0.1147 -0.2500 76 GLU B CG 1217 C CD . GLU B 52 ? 0.9390 1.3925 0.9297 -0.1103 -0.1174 -0.2340 76 GLU B CD 1218 O OE1 . GLU B 52 ? 0.8390 1.3462 0.8376 -0.0987 -0.1248 -0.2185 76 GLU B OE1 1219 O OE2 . GLU B 52 ? 0.9025 1.3237 0.9076 -0.1261 -0.1105 -0.2357 76 GLU B OE2 1220 N N . MET B 53 ? 0.9907 1.3898 0.9408 -0.0424 -0.1044 -0.1557 77 MET B N 1221 C CA . MET B 53 ? 1.0315 1.4139 0.9993 -0.0374 -0.0975 -0.1300 77 MET B CA 1222 C C . MET B 53 ? 1.1082 1.4215 1.0682 -0.0355 -0.0848 -0.1217 77 MET B C 1223 O O . MET B 53 ? 1.0858 1.3700 1.0576 -0.0449 -0.0770 -0.1157 77 MET B O 1224 C CB . MET B 53 ? 0.9986 1.4182 0.9686 -0.0146 -0.1022 -0.1010 77 MET B CB 1225 C CG . MET B 53 ? 0.9564 1.3583 0.9455 -0.0071 -0.0939 -0.0771 77 MET B CG 1226 S SD . MET B 53 ? 3.4803 3.9212 3.4772 0.0199 -0.0998 -0.0438 77 MET B SD 1227 C CE . MET B 53 ? 1.9312 2.3531 1.8940 0.0339 -0.0982 -0.0330 77 MET B CE 1228 N N . SER B 54 ? 1.1936 1.4847 1.1332 -0.0238 -0.0829 -0.1216 78 SER B N 1229 C CA . SER B 54 ? 1.2389 1.4700 1.1716 -0.0195 -0.0737 -0.1136 78 SER B CA 1230 C C . SER B 54 ? 1.3422 1.5275 1.2786 -0.0392 -0.0699 -0.1314 78 SER B C 1231 O O . SER B 54 ? 1.3907 1.5323 1.3286 -0.0427 -0.0632 -0.1192 78 SER B O 1232 C CB . SER B 54 ? 1.2094 1.4348 1.1242 -0.0038 -0.0729 -0.1147 78 SER B CB 1233 O OG . SER B 54 ? 1.1482 1.4194 1.0568 0.0108 -0.0766 -0.0992 78 SER B OG 1234 N N . ASN B 55 ? 1.3812 1.5765 1.3182 -0.0530 -0.0744 -0.1599 79 ASN B N 1235 C CA . ASN B 55 ? 1.4034 1.5542 1.3462 -0.0743 -0.0710 -0.1780 79 ASN B CA 1236 C C . ASN B 55 ? 1.3116 1.4542 1.2695 -0.0918 -0.0659 -0.1668 79 ASN B C 1237 O O . ASN B 55 ? 1.3452 1.4357 1.3034 -0.1055 -0.0595 -0.1658 79 ASN B O 1238 C CB . ASN B 55 ? 1.5284 1.7019 1.4729 -0.0887 -0.0771 -0.2133 79 ASN B CB 1239 C CG . ASN B 55 ? 1.6921 1.8430 1.6226 -0.0788 -0.0768 -0.2334 79 ASN B CG 1240 O OD1 . ASN B 55 ? 1.6403 1.8207 1.5575 -0.0600 -0.0788 -0.2308 79 ASN B OD1 1241 N ND2 . ASN B 55 ? 1.8175 1.9158 1.7522 -0.0917 -0.0734 -0.2537 79 ASN B ND2 1242 N N . ARG B 56 ? 1.1487 1.3441 1.1197 -0.0909 -0.0684 -0.1576 80 ARG B N 1243 C CA . ARG B 56 ? 0.9881 1.1874 0.9768 -0.1064 -0.0619 -0.1490 80 ARG B CA 1244 C C . ARG B 56 ? 0.8197 0.9933 0.8041 -0.0948 -0.0530 -0.1210 80 ARG B C 1245 O O . ARG B 56 ? 0.8294 0.9660 0.8132 -0.1092 -0.0437 -0.1150 80 ARG B O 1246 C CB . ARG B 56 ? 0.9584 1.2303 0.9692 -0.1094 -0.0689 -0.1545 80 ARG B CB 1247 C CG . ARG B 56 ? 0.9789 1.2739 1.0017 -0.1344 -0.0747 -0.1850 80 ARG B CG 1248 C CD . ARG B 56 ? 0.9758 1.3485 1.0245 -0.1380 -0.0835 -0.1900 80 ARG B CD 1249 N NE . ARG B 56 ? 0.9791 1.4014 1.0213 -0.1125 -0.0960 -0.1803 80 ARG B NE 1250 C CZ . ARG B 56 ? 0.9828 1.4216 1.0285 -0.0885 -0.0957 -0.1525 80 ARG B CZ 1251 N NH1 . ARG B 56 ? 0.9389 1.3508 0.9944 -0.0857 -0.0832 -0.1343 80 ARG B NH1 1252 N NH2 . ARG B 56 ? 0.9947 1.4761 1.0326 -0.0680 -0.1077 -0.1429 80 ARG B NH2 1253 N N . THR B 57 ? 0.6556 0.8481 0.6355 -0.0705 -0.0554 -0.1041 81 THR B N 1254 C CA . THR B 57 ? 0.5330 0.7079 0.5117 -0.0603 -0.0473 -0.0808 81 THR B CA 1255 C C . THR B 57 ? 0.5283 0.6470 0.4857 -0.0535 -0.0442 -0.0716 81 THR B C 1256 O O . THR B 57 ? 0.5524 0.6461 0.5052 -0.0525 -0.0370 -0.0565 81 THR B O 1257 C CB . THR B 57 ? 0.4721 0.6882 0.4589 -0.0380 -0.0509 -0.0655 81 THR B CB 1258 O OG1 . THR B 57 ? 0.5132 0.7294 0.4840 -0.0213 -0.0571 -0.0624 81 THR B OG1 1259 C CG2 . THR B 57 ? 0.4641 0.7409 0.4744 -0.0405 -0.0572 -0.0722 81 THR B CG2 1260 N N . MET B 58 ? 0.5020 0.6044 0.4476 -0.0485 -0.0497 -0.0823 82 MET B N 1261 C CA . MET B 58 ? 0.4883 0.5429 0.4185 -0.0393 -0.0486 -0.0751 82 MET B CA 1262 C C . MET B 58 ? 0.4515 0.5123 0.3776 -0.0195 -0.0472 -0.0546 82 MET B C 1263 O O . MET B 58 ? 0.4480 0.4737 0.3647 -0.0133 -0.0458 -0.0445 82 MET B O 1264 C CB . MET B 58 ? 0.5039 0.5076 0.4285 -0.0553 -0.0434 -0.0706 82 MET B CB 1265 C CG . MET B 58 ? 0.5520 0.5411 0.4817 -0.0776 -0.0434 -0.0895 82 MET B CG 1266 S SD . MET B 58 ? 3.0460 2.9779 2.9674 -0.0996 -0.0357 -0.0777 82 MET B SD 1267 C CE . MET B 58 ? 1.3991 1.3160 1.3308 -0.1250 -0.0364 -0.1036 82 MET B CE 1268 N N . ILE B 59 ? 0.4393 0.5446 0.3739 -0.0101 -0.0484 -0.0481 83 ILE B N 1269 C CA . ILE B 59 ? 0.4126 0.5237 0.3462 0.0072 -0.0466 -0.0291 83 ILE B CA 1270 C C . ILE B 59 ? 0.4423 0.5656 0.3673 0.0215 -0.0506 -0.0301 83 ILE B C 1271 O O . ILE B 59 ? 0.5375 0.6899 0.4605 0.0217 -0.0556 -0.0428 83 ILE B O 1272 C CB . ILE B 59 ? 0.3812 0.5295 0.3308 0.0118 -0.0452 -0.0184 83 ILE B CB 1273 C CG1 . ILE B 59 ? 0.4075 0.5448 0.3667 -0.0013 -0.0377 -0.0179 83 ILE B CG1 1274 C CG2 . ILE B 59 ? 0.3234 0.4754 0.2734 0.0294 -0.0434 0.0007 83 ILE B CG2 1275 C CD1 . ILE B 59 ? 0.4667 0.6436 0.4485 0.0029 -0.0359 -0.0128 83 ILE B CD1 1276 N N . ILE B 60 ? 0.4267 0.5311 0.3466 0.0322 -0.0479 -0.0178 84 ILE B N 1277 C CA . ILE B 60 ? 0.3885 0.5063 0.3021 0.0450 -0.0489 -0.0173 84 ILE B CA 1278 C C . ILE B 60 ? 0.4070 0.5614 0.3241 0.0549 -0.0483 -0.0007 84 ILE B C 1279 O O . ILE B 60 ? 0.4537 0.6019 0.3784 0.0587 -0.0447 0.0165 84 ILE B O 1280 C CB . ILE B 60 ? 0.4103 0.4950 0.3210 0.0511 -0.0466 -0.0119 84 ILE B CB 1281 C CG1 . ILE B 60 ? 0.4679 0.5147 0.3751 0.0441 -0.0491 -0.0258 84 ILE B CG1 1282 C CG2 . ILE B 60 ? 0.3911 0.4958 0.2991 0.0637 -0.0452 -0.0107 84 ILE B CG2 1283 C CD1 . ILE B 60 ? 0.5274 0.5393 0.4335 0.0482 -0.0495 -0.0165 84 ILE B CD1 1284 N N A TYR B 61 ? 0.4547 0.6463 0.3655 0.0587 -0.0521 -0.0060 85 TYR B N 1285 N N B TYR B 61 ? 0.4549 0.6462 0.3655 0.0587 -0.0520 -0.0062 85 TYR B N 1286 C CA A TYR B 61 ? 0.4826 0.7104 0.3946 0.0680 -0.0533 0.0130 85 TYR B CA 1287 C CA B TYR B 61 ? 0.4306 0.6595 0.3418 0.0678 -0.0535 0.0120 85 TYR B CA 1288 C C A TYR B 61 ? 0.4077 0.6442 0.3094 0.0775 -0.0490 0.0228 85 TYR B C 1289 C C B TYR B 61 ? 0.4088 0.6455 0.3103 0.0776 -0.0490 0.0227 85 TYR B C 1290 O O A TYR B 61 ? 0.4824 0.7197 0.3737 0.0776 -0.0474 0.0073 85 TYR B O 1291 O O B TYR B 61 ? 0.4811 0.7181 0.3723 0.0778 -0.0472 0.0077 85 TYR B O 1292 C CB A TYR B 61 ? 0.4795 0.7509 0.3893 0.0650 -0.0618 0.0049 85 TYR B CB 1293 C CB B TYR B 61 ? 0.4896 0.7614 0.3970 0.0643 -0.0620 0.0015 85 TYR B CB 1294 C CG A TYR B 61 ? 0.5117 0.7836 0.4373 0.0550 -0.0651 -0.0026 85 TYR B CG 1295 C CG B TYR B 61 ? 0.4860 0.8017 0.3866 0.0746 -0.0661 0.0197 85 TYR B CG 1296 C CD1 A TYR B 61 ? 0.4998 0.7798 0.4435 0.0597 -0.0647 0.0149 85 TYR B CD1 1297 C CD1 B TYR B 61 ? 0.4996 0.8262 0.4141 0.0828 -0.0677 0.0449 85 TYR B CD1 1298 C CD2 A TYR B 61 ? 0.5216 0.7856 0.4465 0.0403 -0.0674 -0.0279 85 TYR B CD2 1299 C CD2 B TYR B 61 ? 0.5043 0.8507 0.3842 0.0762 -0.0682 0.0118 85 TYR B CD2 1300 C CE1 A TYR B 61 ? 0.5077 0.7936 0.4686 0.0503 -0.0657 0.0067 85 TYR B CE1 1301 C CE1 B TYR B 61 ? 0.5286 0.8787 0.4418 0.0892 -0.0678 0.0628 85 TYR B CE1 1302 C CE2 A TYR B 61 ? 0.5262 0.7936 0.4670 0.0285 -0.0687 -0.0344 85 TYR B CE2 1303 C CE2 B TYR B 61 ? 0.5263 0.8989 0.4043 0.0810 -0.0670 0.0299 85 TYR B CE2 1304 C CZ A TYR B 61 ? 0.5297 0.8110 0.4887 0.0336 -0.0675 -0.0174 85 TYR B CZ 1305 C CZ B TYR B 61 ? 0.5191 0.8912 0.4133 0.0873 -0.0673 0.0562 85 TYR B CZ 1306 O OH A TYR B 61 ? 0.5228 0.8130 0.5005 0.0217 -0.0668 -0.0253 85 TYR B OH 1307 O OH B TYR B 61 ? 0.5365 0.9300 0.4277 0.0920 -0.0670 0.0752 85 TYR B OH 1308 N N . PHE B 62 ? 0.4620 0.7047 0.3690 0.0851 -0.0461 0.0481 86 PHE B N 1309 C CA . PHE B 62 ? 0.5143 0.7669 0.4138 0.0918 -0.0402 0.0621 86 PHE B CA 1310 C C . PHE B 62 ? 0.6042 0.8912 0.5000 0.0963 -0.0418 0.0810 86 PHE B C 1311 O O . PHE B 62 ? 0.6338 0.9157 0.5448 0.0987 -0.0424 0.0977 86 PHE B O 1312 C CB . PHE B 62 ? 0.3789 0.5984 0.2911 0.0931 -0.0330 0.0759 86 PHE B CB 1313 C CG . PHE B 62 ? 0.3521 0.5361 0.2684 0.0879 -0.0320 0.0597 86 PHE B CG 1314 C CD1 . PHE B 62 ? 0.3350 0.4943 0.2583 0.0818 -0.0345 0.0537 86 PHE B CD1 1315 C CD2 . PHE B 62 ? 0.3399 0.5179 0.2537 0.0895 -0.0285 0.0515 86 PHE B CD2 1316 C CE1 . PHE B 62 ? 0.3223 0.4488 0.2455 0.0768 -0.0347 0.0428 86 PHE B CE1 1317 C CE2 . PHE B 62 ? 0.3334 0.4794 0.2517 0.0868 -0.0301 0.0397 86 PHE B CE2 1318 C CZ . PHE B 62 ? 0.2981 0.4172 0.2189 0.0802 -0.0337 0.0368 86 PHE B CZ 1319 N N . ASP B 63 ? 0.7652 1.0803 0.6454 0.0956 -0.0402 0.0754 87 ASP B N 1320 C CA . ASP B 63 ? 0.9062 1.2502 0.7835 0.0961 -0.0415 0.0889 87 ASP B CA 1321 C C . ASP B 63 ? 0.8142 1.1510 0.6978 0.0996 -0.0336 0.1180 87 ASP B C 1322 O O . ASP B 63 ? 0.8237 1.1679 0.7135 0.1023 -0.0363 0.1367 87 ASP B O 1323 C CB . ASP B 63 ? 1.0809 1.4595 0.9373 0.0926 -0.0423 0.0706 87 ASP B CB 1324 C CG . ASP B 63 ? 1.1873 1.5691 1.0325 0.0935 -0.0317 0.0666 87 ASP B CG 1325 O OD1 . ASP B 63 ? 1.1947 1.5891 1.0364 0.0943 -0.0248 0.0867 87 ASP B OD1 1326 O OD2 . ASP B 63 ? 1.2300 1.6027 1.0702 0.0935 -0.0303 0.0432 87 ASP B OD2 1327 N N . GLN B 64 ? 0.7401 1.0630 0.6228 0.0994 -0.0243 0.1216 88 GLN B N 1328 C CA . GLN B 64 ? 0.7238 1.0418 0.6119 0.0997 -0.0157 0.1475 88 GLN B CA 1329 C C . GLN B 64 ? 0.6349 0.9138 0.5435 0.1004 -0.0118 0.1590 88 GLN B C 1330 O O . GLN B 64 ? 0.6807 0.9411 0.5926 0.0996 -0.0101 0.1478 88 GLN B O 1331 C CB . GLN B 64 ? 0.7774 1.1159 0.6514 0.0972 -0.0064 0.1446 88 GLN B CB 1332 C CG . GLN B 64 ? 0.8818 1.2184 0.7607 0.0948 0.0032 0.1720 88 GLN B CG 1333 C CD . GLN B 64 ? 1.0035 1.3698 0.8676 0.0909 0.0135 0.1691 88 GLN B CD 1334 O OE1 . GLN B 64 ? 0.9674 1.3503 0.8213 0.0918 0.0151 0.1442 88 GLN B OE1 1335 N NE2 . GLN B 64 ? 1.1254 1.4981 0.9890 0.0866 0.0212 0.1935 88 GLN B NE2 1336 N N . VAL B 65 ? 0.6103 0.8768 0.5319 0.1023 -0.0109 0.1809 89 VAL B N 1337 C CA . VAL B 65 ? 0.5993 0.8285 0.5416 0.1025 -0.0067 0.1907 89 VAL B CA 1338 C C . VAL B 65 ? 0.5804 0.8021 0.5274 0.0989 0.0032 0.2122 89 VAL B C 1339 O O . VAL B 65 ? 0.6313 0.8607 0.5775 0.1001 0.0039 0.2318 89 VAL B O 1340 C CB . VAL B 65 ? 0.6033 0.8202 0.5616 0.1084 -0.0125 0.1972 89 VAL B CB 1341 C CG1 . VAL B 65 ? 0.6732 0.8516 0.6532 0.1087 -0.0069 0.2044 89 VAL B CG1 1342 C CG2 . VAL B 65 ? 0.5145 0.7426 0.4704 0.1100 -0.0215 0.1771 89 VAL B CG2 1343 N N . LEU B 66 ? 0.5485 0.7556 0.5004 0.0941 0.0103 0.2095 90 LEU B N 1344 C CA . LEU B 66 ? 0.5214 0.7221 0.4802 0.0879 0.0209 0.2287 90 LEU B CA 1345 C C . LEU B 66 ? 0.4915 0.6544 0.4730 0.0873 0.0234 0.2433 90 LEU B C 1346 O O . LEU B 66 ? 0.5253 0.6807 0.5132 0.0838 0.0296 0.2644 90 LEU B O 1347 C CB . LEU B 66 ? 0.4829 0.6876 0.4408 0.0825 0.0275 0.2200 90 LEU B CB 1348 C CG . LEU B 66 ? 0.4626 0.7030 0.4000 0.0850 0.0263 0.2019 90 LEU B CG 1349 C CD1 . LEU B 66 ? 0.4051 0.6448 0.3522 0.0799 0.0324 0.1874 90 LEU B CD1 1350 C CD2 . LEU B 66 ? 0.4900 0.7658 0.4110 0.0835 0.0302 0.2092 90 LEU B CD2 1351 N N . VAL B 67 ? 0.4464 0.5848 0.4395 0.0906 0.0190 0.2310 91 VAL B N 1352 C CA . VAL B 67 ? 0.4524 0.5536 0.4685 0.0908 0.0224 0.2389 91 VAL B CA 1353 C C . VAL B 67 ? 0.4818 0.5742 0.5053 0.0996 0.0151 0.2282 91 VAL B C 1354 O O . VAL B 67 ? 0.4698 0.5732 0.4841 0.1013 0.0090 0.2101 91 VAL B O 1355 C CB . VAL B 67 ? 0.4301 0.5070 0.4576 0.0821 0.0291 0.2339 91 VAL B CB 1356 C CG1 . VAL B 67 ? 0.4802 0.5165 0.5324 0.0815 0.0335 0.2378 91 VAL B CG1 1357 C CG2 . VAL B 67 ? 0.4216 0.5115 0.4462 0.0720 0.0378 0.2456 91 VAL B CG2 1358 N N . ASN B 68 ? 0.5166 0.5902 0.5583 0.1055 0.0161 0.2399 92 ASN B N 1359 C CA . ASN B 68 ? 0.4788 0.5445 0.5338 0.1148 0.0115 0.2307 92 ASN B CA 1360 C C . ASN B 68 ? 0.5667 0.6008 0.6486 0.1207 0.0165 0.2418 92 ASN B C 1361 O O . ASN B 68 ? 0.6378 0.6774 0.7297 0.1316 0.0118 0.2500 92 ASN B O 1362 C CB . ASN B 68 ? 0.4022 0.5028 0.4463 0.1222 0.0012 0.2292 92 ASN B CB 1363 C CG . ASN B 68 ? 0.4641 0.5657 0.5221 0.1304 -0.0034 0.2165 92 ASN B CG 1364 O OD1 . ASN B 68 ? 0.5051 0.5827 0.5775 0.1306 0.0018 0.2065 92 ASN B OD1 1365 N ND2 . ASN B 68 ? 0.4995 0.6314 0.5545 0.1369 -0.0126 0.2166 92 ASN B ND2 1366 N N . ILE B 69 ? 0.5582 0.5587 0.6532 0.1133 0.0259 0.2408 93 ILE B N 1367 C CA . ILE B 69 ? 0.5678 0.5321 0.6907 0.1175 0.0323 0.2465 93 ILE B CA 1368 C C . ILE B 69 ? 0.5992 0.5565 0.7395 0.1286 0.0315 0.2302 93 ILE B C 1369 O O . ILE B 69 ? 0.5695 0.5294 0.7055 0.1263 0.0320 0.2115 93 ILE B O 1370 C CB . ILE B 69 ? 0.5732 0.5028 0.7070 0.1036 0.0433 0.2445 93 ILE B CB 1371 C CG1 . ILE B 69 ? 0.5711 0.4989 0.7020 0.0955 0.0472 0.2672 93 ILE B CG1 1372 C CG2 . ILE B 69 ? 0.5591 0.4477 0.7226 0.1064 0.0510 0.2336 93 ILE B CG2 1373 C CD1 . ILE B 69 ? 0.6218 0.5916 0.7251 0.0940 0.0417 0.2779 93 ILE B CD1 1374 N N . GLY B 70 ? 0.6237 0.5733 0.7847 0.1412 0.0305 0.2382 94 GLY B N 1375 C CA . GLY B 70 ? 0.5988 0.5483 0.7809 0.1540 0.0305 0.2233 94 GLY B CA 1376 C C . GLY B 70 ? 0.5880 0.5819 0.7601 0.1626 0.0187 0.2227 94 GLY B C 1377 O O . GLY B 70 ? 0.5934 0.5968 0.7854 0.1743 0.0175 0.2127 94 GLY B O 1378 N N . ASN B 71 ? 0.6198 0.6422 0.7630 0.1561 0.0108 0.2312 95 ASN B N 1379 C CA . ASN B 71 ? 0.6293 0.6946 0.7596 0.1603 -0.0006 0.2280 95 ASN B CA 1380 C C . ASN B 71 ? 0.5786 0.6560 0.7175 0.1629 -0.0006 0.2059 95 ASN B C 1381 O O . ASN B 71 ? 0.5312 0.6366 0.6808 0.1718 -0.0076 0.2021 95 ASN B O 1382 C CB . ASN B 71 ? 0.6868 0.7671 0.8281 0.1734 -0.0091 0.2450 95 ASN B CB 1383 C CG . ASN B 71 ? 0.7633 0.8864 0.8801 0.1718 -0.0209 0.2503 95 ASN B CG 1384 O OD1 . ASN B 71 ? 0.8186 0.9477 0.9159 0.1669 -0.0223 0.2659 95 ASN B OD1 1385 N ND2 . ASN B 71 ? 0.7554 0.9100 0.8740 0.1750 -0.0285 0.2360 95 ASN B ND2 1386 N N . ASN B 72 ? 0.6002 0.6583 0.7351 0.1546 0.0075 0.1920 96 ASN B N 1387 C CA . ASN B 72 ? 0.5700 0.6360 0.7096 0.1531 0.0102 0.1691 96 ASN B CA 1388 C C . ASN B 72 ? 0.5103 0.6015 0.6190 0.1407 0.0027 0.1568 96 ASN B C 1389 O O . ASN B 72 ? 0.4919 0.5906 0.5971 0.1326 0.0040 0.1350 96 ASN B O 1390 C CB . ASN B 72 ? 0.6014 0.6284 0.7443 0.1415 0.0231 0.1496 96 ASN B CB 1391 C CG . ASN B 72 ? 0.6438 0.6434 0.8217 0.1532 0.0325 0.1536 96 ASN B CG 1392 O OD1 . ASN B 72 ? 0.6380 0.6476 0.8426 0.1661 0.0349 0.1476 96 ASN B OD1 1393 N ND2 . ASN B 72 ? 0.6385 0.6036 0.8194 0.1488 0.0384 0.1624 96 ASN B ND2 1394 N N . PHE B 73 ? 0.4653 0.5684 0.5521 0.1385 -0.0039 0.1705 97 PHE B N 1395 C CA . PHE B 73 ? 0.4122 0.5390 0.4724 0.1293 -0.0112 0.1588 97 PHE B CA 1396 C C . PHE B 73 ? 0.4382 0.6049 0.4962 0.1360 -0.0220 0.1658 97 PHE B C 1397 O O . PHE B 73 ? 0.5090 0.6808 0.5624 0.1378 -0.0239 0.1802 97 PHE B O 1398 C CB . PHE B 73 ? 0.3723 0.4892 0.4098 0.1204 -0.0098 0.1616 97 PHE B CB 1399 C CG . PHE B 73 ? 0.3467 0.4840 0.3599 0.1129 -0.0163 0.1479 97 PHE B CG 1400 C CD1 . PHE B 73 ? 0.3317 0.4565 0.3364 0.1018 -0.0157 0.1249 97 PHE B CD1 1401 C CD2 . PHE B 73 ? 0.3499 0.5147 0.3485 0.1139 -0.0216 0.1541 97 PHE B CD2 1402 C CE1 . PHE B 73 ? 0.3440 0.4817 0.3297 0.0958 -0.0214 0.1119 97 PHE B CE1 1403 C CE2 . PHE B 73 ? 0.3670 0.5499 0.3455 0.1088 -0.0269 0.1394 97 PHE B CE2 1404 C CZ . PHE B 73 ? 0.3407 0.5078 0.3145 0.1002 -0.0269 0.1180 97 PHE B CZ 1405 N N . ASP B 74 ? 0.5039 0.6969 0.5637 0.1350 -0.0280 0.1514 98 ASP B N 1406 C CA . ASP B 74 ? 0.6863 0.9198 0.7433 0.1377 -0.0392 0.1525 98 ASP B CA 1407 C C . ASP B 74 ? 0.7209 0.9694 0.7469 0.1268 -0.0445 0.1420 98 ASP B C 1408 O O . ASP B 74 ? 0.7004 0.9504 0.7182 0.1172 -0.0455 0.1222 98 ASP B O 1409 C CB . ASP B 74 ? 0.8486 1.1098 0.9305 0.1420 -0.0431 0.1415 98 ASP B CB 1410 C CG . ASP B 74 ? 1.0680 1.3718 1.1502 0.1434 -0.0556 0.1415 98 ASP B CG 1411 O OD1 . ASP B 74 ? 1.0921 1.4003 1.1564 0.1435 -0.0600 0.1531 98 ASP B OD1 1412 O OD2 . ASP B 74 ? 1.1933 1.5286 1.2951 0.1435 -0.0602 0.1294 98 ASP B OD2 1413 N N . SER B 75 ? 0.8272 1.0818 0.8368 0.1257 -0.0455 0.1518 99 SER B N 1414 C CA . SER B 75 ? 0.9059 1.1741 0.8884 0.1172 -0.0476 0.1409 99 SER B CA 1415 C C . SER B 75 ? 0.8738 1.1765 0.8496 0.1125 -0.0578 0.1224 99 SER B C 1416 O O . SER B 75 ? 0.8112 1.1168 0.7695 0.1046 -0.0592 0.1045 99 SER B O 1417 C CB . SER B 75 ? 1.0133 1.2899 0.9834 0.1184 -0.0456 0.1568 99 SER B CB 1418 O OG . SER B 75 ? 1.0887 1.3851 1.0677 0.1257 -0.0518 0.1713 99 SER B OG 1419 N N . GLU B 76 ? 0.9089 1.2378 0.9001 0.1172 -0.0652 0.1253 100 GLU B N 1420 C CA . GLU B 76 ? 0.9625 1.3294 0.9498 0.1107 -0.0756 0.1072 100 GLU B CA 1421 C C . GLU B 76 ? 0.9573 1.3216 0.9470 0.1010 -0.0768 0.0843 100 GLU B C 1422 O O . GLU B 76 ? 0.9854 1.3633 0.9593 0.0901 -0.0818 0.0634 100 GLU B O 1423 C CB . GLU B 76 ? 1.0240 1.4203 1.0332 0.1182 -0.0837 0.1156 100 GLU B CB 1424 C CG . GLU B 76 ? 1.0922 1.5328 1.0936 0.1112 -0.0954 0.1011 100 GLU B CG 1425 C CD . GLU B 76 ? 1.1683 1.6363 1.1938 0.1055 -0.1021 0.0830 100 GLU B CD 1426 O OE1 . GLU B 76 ? 1.2342 1.7383 1.2557 0.0974 -0.1116 0.0687 100 GLU B OE1 1427 O OE2 . GLU B 76 ? 1.1415 1.5982 1.1913 0.1078 -0.0972 0.0819 100 GLU B OE2 1428 N N . ARG B 77 ? 0.9272 1.2651 0.9364 0.1016 -0.0690 0.0849 101 ARG B N 1429 C CA . ARG B 77 ? 0.9058 1.2180 0.9160 0.0849 -0.0622 0.0615 101 ARG B CA 1430 C C . ARG B 77 ? 0.7963 1.0578 0.7923 0.0807 -0.0517 0.0610 101 ARG B C 1431 O O . ARG B 77 ? 0.7031 0.9372 0.6958 0.0678 -0.0460 0.0463 101 ARG B O 1432 C CB . ARG B 77 ? 1.0027 1.3228 1.0430 0.0838 -0.0584 0.0576 101 ARG B CB 1433 C CG . ARG B 77 ? 1.0892 1.4128 1.1542 0.1022 -0.0559 0.0784 101 ARG B CG 1434 C CD . ARG B 77 ? 1.1481 1.4921 1.2471 0.1023 -0.0527 0.0702 101 ARG B CD 1435 N NE . ARG B 77 ? 1.2383 1.6376 1.3508 0.1024 -0.0660 0.0649 101 ARG B NE 1436 C CZ . ARG B 77 ? 1.3348 1.7741 1.4616 0.1204 -0.0789 0.0826 101 ARG B CZ 1437 N NH1 . ARG B 77 ? 1.3705 1.7870 1.4968 0.1368 -0.0769 0.1064 101 ARG B NH1 1438 N NH2 . ARG B 77 ? 1.3782 1.8654 1.5147 0.1167 -0.0910 0.0741 101 ARG B NH2 1439 N N . SER B 78 ? 0.7381 0.9894 0.7262 0.0908 -0.0496 0.0784 102 SER B N 1440 C CA . SER B 78 ? 0.6067 0.8180 0.5836 0.0875 -0.0416 0.0786 102 SER B CA 1441 C C . SER B 78 ? 0.5343 0.7116 0.5210 0.0812 -0.0331 0.0734 102 SER B C 1442 O O . SER B 78 ? 0.4981 0.6480 0.4729 0.0712 -0.0303 0.0620 102 SER B O 1443 C CB . SER B 78 ? 0.5921 0.7979 0.5480 0.0791 -0.0439 0.0618 102 SER B CB 1444 O OG . SER B 78 ? 0.6270 0.8631 0.5701 0.0849 -0.0490 0.0657 102 SER B OG 1445 N N . THR B 79 ? 0.4931 0.6732 0.5013 0.0879 -0.0292 0.0819 103 THR B N 1446 C CA . THR B 79 ? 0.4187 0.5728 0.4362 0.0819 -0.0196 0.0746 103 THR B CA 1447 C C . THR B 79 ? 0.3533 0.4906 0.3859 0.0920 -0.0127 0.0881 103 THR B C 1448 O O . THR B 79 ? 0.3842 0.5372 0.4325 0.1060 -0.0151 0.1042 103 THR B O 1449 C CB . THR B 79 ? 0.4516 0.6267 0.4867 0.0776 -0.0181 0.0635 103 THR B CB 1450 O OG1 . THR B 79 ? 0.5476 0.7402 0.5721 0.0669 -0.0250 0.0509 103 THR B OG1 1451 C CG2 . THR B 79 ? 0.4275 0.5773 0.4653 0.0677 -0.0062 0.0527 103 THR B CG2 1452 N N . PHE B 80 ? 0.3599 0.4643 0.3871 0.0845 -0.0047 0.0819 104 PHE B N 1453 C CA . PHE B 80 ? 0.4182 0.5022 0.4609 0.0906 0.0034 0.0888 104 PHE B CA 1454 C C . PHE B 80 ? 0.3790 0.4598 0.4398 0.0893 0.0129 0.0763 104 PHE B C 1455 O O . PHE B 80 ? 0.3617 0.4326 0.4100 0.0756 0.0176 0.0604 104 PHE B O 1456 C CB . PHE B 80 ? 0.4790 0.5333 0.5061 0.0822 0.0059 0.0874 104 PHE B CB 1457 C CG . PHE B 80 ? 0.5204 0.5513 0.5634 0.0847 0.0146 0.0905 104 PHE B CG 1458 C CD1 . PHE B 80 ? 0.5546 0.5831 0.6121 0.0951 0.0153 0.1093 104 PHE B CD1 1459 C CD2 . PHE B 80 ? 0.5456 0.5562 0.5879 0.0754 0.0227 0.0743 104 PHE B CD2 1460 C CE1 . PHE B 80 ? 0.5842 0.5864 0.6589 0.0960 0.0239 0.1109 104 PHE B CE1 1461 C CE2 . PHE B 80 ? 0.5847 0.5728 0.6424 0.0764 0.0312 0.0730 104 PHE B CE2 1462 C CZ . PHE B 80 ? 0.5957 0.5776 0.6715 0.0867 0.0319 0.0908 104 PHE B CZ 1463 N N . ILE B 81 ? 0.3706 0.4603 0.4609 0.1040 0.0160 0.0840 105 ILE B N 1464 C CA . ILE B 81 ? 0.3883 0.4765 0.5018 0.1058 0.0274 0.0704 105 ILE B CA 1465 C C . ILE B 81 ? 0.4247 0.4787 0.5496 0.1094 0.0372 0.0704 105 ILE B C 1466 O O . ILE B 81 ? 0.4740 0.5205 0.6174 0.1236 0.0359 0.0876 105 ILE B O 1467 C CB . ILE B 81 ? 0.3991 0.5227 0.5457 0.1220 0.0245 0.0756 105 ILE B CB 1468 C CG1 . ILE B 81 ? 0.3466 0.5068 0.4843 0.1147 0.0155 0.0703 105 ILE B CG1 1469 C CG2 . ILE B 81 ? 0.4796 0.6021 0.6561 0.1266 0.0387 0.0599 105 ILE B CG2 1470 C CD1 . ILE B 81 ? 0.4083 0.5872 0.5325 0.1199 0.0002 0.0872 105 ILE B CD1 1471 N N . ALA B 82 ? 0.4058 0.4391 0.5187 0.0953 0.0470 0.0511 106 ALA B N 1472 C CA . ALA B 82 ? 0.4130 0.4136 0.5339 0.0945 0.0565 0.0453 106 ALA B CA 1473 C C . ALA B 82 ? 0.4829 0.4812 0.6455 0.1124 0.0656 0.0447 106 ALA B C 1474 O O . ALA B 82 ? 0.4899 0.5077 0.6706 0.1169 0.0727 0.0315 106 ALA B O 1475 C CB . ALA B 82 ? 0.4196 0.4066 0.5171 0.0752 0.0644 0.0223 106 ALA B CB 1476 N N . PRO B 83 ? 0.4806 0.4548 0.6610 0.1227 0.0661 0.0593 107 PRO B N 1477 C CA . PRO B 83 ? 0.5124 0.4775 0.7359 0.1420 0.0743 0.0605 107 PRO B CA 1478 C C . PRO B 83 ? 0.5744 0.5154 0.8105 0.1363 0.0917 0.0307 107 PRO B C 1479 O O . PRO B 83 ? 0.6352 0.5723 0.9100 0.1529 0.1010 0.0242 107 PRO B O 1480 C CB . PRO B 83 ? 0.5330 0.4745 0.7655 0.1508 0.0690 0.0885 107 PRO B CB 1481 C CG . PRO B 83 ? 0.5094 0.4368 0.7071 0.1304 0.0658 0.0882 107 PRO B CG 1482 C CD . PRO B 83 ? 0.4882 0.4438 0.6533 0.1177 0.0593 0.0773 107 PRO B CD 1483 N N . ARG B 84 ? 0.5607 0.4873 0.7651 0.1140 0.0956 0.0123 108 ARG B N 1484 C CA . ARG B 84 ? 0.5750 0.4806 0.7845 0.1054 0.1117 -0.0183 108 ARG B CA 1485 C C . ARG B 84 ? 0.5703 0.4763 0.7349 0.0794 0.1114 -0.0359 108 ARG B C 1486 O O . ARG B 84 ? 0.5573 0.4717 0.6914 0.0698 0.0983 -0.0222 108 ARG B O 1487 C CB . ARG B 84 ? 0.5757 0.4399 0.8091 0.1102 0.1172 -0.0163 108 ARG B CB 1488 C CG . ARG B 84 ? 0.5627 0.4089 0.7736 0.0971 0.1071 0.0001 108 ARG B CG 1489 C CD . ARG B 84 ? 0.5952 0.4004 0.8345 0.1009 0.1131 0.0053 108 ARG B CD 1490 N NE . ARG B 84 ? 0.6599 0.4393 0.9086 0.0912 0.1281 -0.0295 108 ARG B NE 1491 C CZ . ARG B 84 ? 0.7862 0.5247 1.0611 0.0906 0.1365 -0.0346 108 ARG B CZ 1492 N NH1 . ARG B 84 ? 0.8214 0.5388 1.1155 0.0988 0.1316 -0.0034 108 ARG B NH1 1493 N NH2 . ARG B 84 ? 0.8747 0.5929 1.1557 0.0803 0.1505 -0.0714 108 ARG B NH2 1494 N N . LYS B 85 ? 0.5956 0.4928 0.7563 0.0688 0.1257 -0.0663 109 LYS B N 1495 C CA . LYS B 85 ? 0.6253 0.5238 0.7413 0.0441 0.1249 -0.0821 109 LYS B CA 1496 C C . LYS B 85 ? 0.6541 0.5266 0.7555 0.0323 0.1171 -0.0795 109 LYS B C 1497 O O . LYS B 85 ? 0.7327 0.5785 0.8578 0.0348 0.1239 -0.0875 109 LYS B O 1498 C CB . LYS B 85 ? 0.6775 0.5806 0.7901 0.0351 0.1434 -0.1166 109 LYS B CB 1499 C CG . LYS B 85 ? 0.7155 0.6207 0.7775 0.0089 0.1416 -0.1309 109 LYS B CG 1500 C CD . LYS B 85 ? 0.7895 0.7086 0.8407 -0.0018 0.1607 -0.1627 109 LYS B CD 1501 C CE . LYS B 85 ? 0.8933 0.7906 0.9492 -0.0091 0.1734 -0.1939 109 LYS B CE 1502 N NZ . LYS B 85 ? 0.9602 0.8755 0.9922 -0.0246 0.1913 -0.2260 109 LYS B NZ 1503 N N . GLY B 86 ? 0.6170 0.4975 0.6825 0.0195 0.1029 -0.0686 110 GLY B N 1504 C CA . GLY B 86 ? 0.6159 0.4805 0.6686 0.0074 0.0940 -0.0665 110 GLY B CA 1505 C C . GLY B 86 ? 0.6004 0.4796 0.6156 -0.0033 0.0779 -0.0549 110 GLY B C 1506 O O . GLY B 86 ? 0.5975 0.4944 0.5938 -0.0035 0.0747 -0.0501 110 GLY B O 1507 N N . ILE B 87 ? 0.5546 0.4263 0.5623 -0.0122 0.0679 -0.0509 111 ILE B N 1508 C CA . ILE B 87 ? 0.5140 0.3986 0.4935 -0.0187 0.0513 -0.0385 111 ILE B CA 1509 C C . ILE B 87 ? 0.5161 0.4062 0.5112 -0.0062 0.0431 -0.0130 111 ILE B C 1510 O O . ILE B 87 ? 0.5623 0.4428 0.5805 -0.0037 0.0447 -0.0062 111 ILE B O 1511 C CB . ILE B 87 ? 0.4743 0.3556 0.4370 -0.0361 0.0437 -0.0509 111 ILE B CB 1512 C CG1 . ILE B 87 ? 0.5333 0.4133 0.4731 -0.0505 0.0514 -0.0773 111 ILE B CG1 1513 C CG2 . ILE B 87 ? 0.4763 0.3718 0.4168 -0.0387 0.0252 -0.0359 111 ILE B CG2 1514 C CD1 . ILE B 87 ? 0.5215 0.4151 0.4282 -0.0537 0.0505 -0.0760 111 ILE B CD1 1515 N N . TYR B 88 ? 0.4681 0.3734 0.4496 0.0001 0.0355 0.0001 112 TYR B N 1516 C CA . TYR B 88 ? 0.4275 0.3427 0.4192 0.0116 0.0284 0.0213 112 TYR B CA 1517 C C . TYR B 88 ? 0.4416 0.3661 0.4134 0.0073 0.0142 0.0274 112 TYR B C 1518 O O . TYR B 88 ? 0.4841 0.4096 0.4307 -0.0004 0.0078 0.0211 112 TYR B O 1519 C CB . TYR B 88 ? 0.4041 0.3319 0.4012 0.0240 0.0308 0.0295 112 TYR B CB 1520 C CG . TYR B 88 ? 0.4582 0.3815 0.4830 0.0337 0.0429 0.0276 112 TYR B CG 1521 C CD1 . TYR B 88 ? 0.4870 0.4057 0.5140 0.0299 0.0538 0.0087 112 TYR B CD1 1522 C CD2 . TYR B 88 ? 0.4839 0.4088 0.5331 0.0476 0.0436 0.0454 112 TYR B CD2 1523 C CE1 . TYR B 88 ? 0.5294 0.4446 0.5871 0.0417 0.0650 0.0058 112 TYR B CE1 1524 C CE2 . TYR B 88 ? 0.5105 0.4298 0.5879 0.0594 0.0529 0.0463 112 TYR B CE2 1525 C CZ . TYR B 88 ? 0.5510 0.4653 0.6352 0.0575 0.0635 0.0255 112 TYR B CZ 1526 O OH . TYR B 88 ? 0.6160 0.5254 0.7337 0.0720 0.0730 0.0250 112 TYR B OH 1527 N N . SER B 89 ? 0.3144 0.2460 0.2986 0.0126 0.0097 0.0406 113 SER B N 1528 C CA . SER B 89 ? 0.4422 0.3862 0.4151 0.0128 -0.0027 0.0463 113 SER B CA 1529 C C . SER B 89 ? 0.4241 0.3814 0.3959 0.0250 -0.0051 0.0578 113 SER B C 1530 O O . SER B 89 ? 0.4320 0.3944 0.4177 0.0334 0.0013 0.0667 113 SER B O 1531 C CB . SER B 89 ? 0.4314 0.3805 0.4204 0.0088 -0.0047 0.0498 113 SER B CB 1532 O OG . SER B 89 ? 0.4324 0.3985 0.4174 0.0132 -0.0150 0.0558 113 SER B OG 1533 N N . PHE B 90 ? 0.4590 0.4214 0.4141 0.0260 -0.0150 0.0572 114 PHE B N 1534 C CA . PHE B 90 ? 0.4897 0.4646 0.4431 0.0359 -0.0178 0.0636 114 PHE B CA 1535 C C . PHE B 90 ? 0.4350 0.4175 0.3846 0.0394 -0.0279 0.0644 114 PHE B C 1536 O O . PHE B 90 ? 0.4069 0.3821 0.3473 0.0346 -0.0363 0.0602 114 PHE B O 1537 C CB . PHE B 90 ? 0.5155 0.4855 0.4550 0.0346 -0.0175 0.0590 114 PHE B CB 1538 C CG . PHE B 90 ? 0.2747 0.2455 0.2242 0.0353 -0.0072 0.0578 114 PHE B CG 1539 C CD1 . PHE B 90 ? 0.2762 0.2625 0.2401 0.0455 -0.0039 0.0659 114 PHE B CD1 1540 C CD2 . PHE B 90 ? 0.3928 0.3518 0.3377 0.0266 -0.0010 0.0483 114 PHE B CD2 1541 C CE1 . PHE B 90 ? 0.2916 0.2809 0.2693 0.0490 0.0039 0.0658 114 PHE B CE1 1542 C CE2 . PHE B 90 ? 0.3284 0.2904 0.2877 0.0296 0.0094 0.0452 114 PHE B CE2 1543 C CZ . PHE B 90 ? 0.3238 0.3006 0.3017 0.0418 0.0111 0.0547 114 PHE B CZ 1544 N N . ASN B 91 ? 0.4085 0.4082 0.3659 0.0485 -0.0270 0.0696 115 ASN B N 1545 C CA . ASN B 91 ? 0.4256 0.4357 0.3834 0.0547 -0.0344 0.0676 115 ASN B CA 1546 C C . ASN B 91 ? 0.3474 0.3701 0.3020 0.0632 -0.0331 0.0667 115 ASN B C 1547 O O . ASN B 91 ? 0.3524 0.3876 0.3103 0.0656 -0.0262 0.0724 115 ASN B O 1548 C CB . ASN B 91 ? 0.4981 0.5247 0.4738 0.0549 -0.0327 0.0711 115 ASN B CB 1549 C CG . ASN B 91 ? 0.5767 0.5946 0.5561 0.0454 -0.0374 0.0680 115 ASN B CG 1550 O OD1 . ASN B 91 ? 0.6440 0.6610 0.6197 0.0461 -0.0486 0.0635 115 ASN B OD1 1551 N ND2 . ASN B 91 ? 0.5792 0.5907 0.5663 0.0368 -0.0296 0.0700 115 ASN B ND2 1552 N N . PHE B 92 ? 0.3390 0.3583 0.2874 0.0679 -0.0405 0.0592 116 PHE B N 1553 C CA . PHE B 92 ? 0.3338 0.3651 0.2792 0.0747 -0.0396 0.0534 116 PHE B CA 1554 C C . PHE B 92 ? 0.3481 0.3810 0.2978 0.0832 -0.0456 0.0444 116 PHE B C 1555 O O . PHE B 92 ? 0.3465 0.3613 0.2959 0.0837 -0.0542 0.0432 116 PHE B O 1556 C CB . PHE B 92 ? 0.3442 0.3620 0.2769 0.0696 -0.0405 0.0492 116 PHE B CB 1557 C CG . PHE B 92 ? 0.4071 0.3959 0.3289 0.0646 -0.0480 0.0448 116 PHE B CG 1558 C CD1 . PHE B 92 ? 0.4391 0.4099 0.3526 0.0550 -0.0486 0.0495 116 PHE B CD1 1559 C CD2 . PHE B 92 ? 0.4394 0.4178 0.3582 0.0690 -0.0539 0.0361 116 PHE B CD2 1560 C CE1 . PHE B 92 ? 0.4730 0.4179 0.3721 0.0491 -0.0555 0.0491 116 PHE B CE1 1561 C CE2 . PHE B 92 ? 0.4608 0.4082 0.3689 0.0642 -0.0611 0.0362 116 PHE B CE2 1562 C CZ . PHE B 92 ? 0.4981 0.4297 0.3946 0.0537 -0.0621 0.0444 116 PHE B CZ 1563 N N . HIS B 93 ? 0.3459 0.4023 0.2998 0.0907 -0.0410 0.0383 117 HIS B N 1564 C CA . HIS B 93 ? 0.2806 0.3404 0.2411 0.1008 -0.0445 0.0251 117 HIS B CA 1565 C C . HIS B 93 ? 0.2889 0.3563 0.2399 0.1028 -0.0415 0.0124 117 HIS B C 1566 O O . HIS B 93 ? 0.4122 0.5087 0.3599 0.1029 -0.0340 0.0133 117 HIS B O 1567 C CB . HIS B 93 ? 0.6342 0.7235 0.6126 0.1075 -0.0395 0.0254 117 HIS B CB 1568 C CG . HIS B 93 ? 0.6445 0.7317 0.6345 0.1030 -0.0425 0.0361 117 HIS B CG 1569 N ND1 . HIS B 93 ? 0.5769 0.6622 0.5818 0.1092 -0.0513 0.0326 117 HIS B ND1 1570 C CD2 . HIS B 93 ? 0.5942 0.6818 0.5847 0.0927 -0.0384 0.0487 117 HIS B CD2 1571 C CE1 . HIS B 93 ? 0.5585 0.6462 0.5708 0.1012 -0.0532 0.0417 117 HIS B CE1 1572 N NE2 . HIS B 93 ? 0.5667 0.6535 0.5705 0.0906 -0.0446 0.0505 117 HIS B NE2 1573 N N . VAL B 94 ? 0.4217 0.4627 0.3673 0.1029 -0.0480 0.0014 118 VAL B N 1574 C CA . VAL B 94 ? 0.4089 0.4549 0.3470 0.1024 -0.0462 -0.0148 118 VAL B CA 1575 C C . VAL B 94 ? 0.4598 0.5073 0.4082 0.1146 -0.0463 -0.0340 118 VAL B C 1576 O O . VAL B 94 ? 0.5007 0.5164 0.4560 0.1197 -0.0534 -0.0390 118 VAL B O 1577 C CB . VAL B 94 ? 0.4375 0.4520 0.3649 0.0915 -0.0513 -0.0167 118 VAL B CB 1578 C CG1 . VAL B 94 ? 0.3979 0.4170 0.3206 0.0891 -0.0504 -0.0372 118 VAL B CG1 1579 C CG2 . VAL B 94 ? 0.4233 0.4422 0.3439 0.0809 -0.0491 -0.0014 118 VAL B CG2 1580 N N . VAL B 95 ? 0.4769 0.5618 0.4259 0.1196 -0.0379 -0.0445 119 VAL B N 1581 C CA . VAL B 95 ? 0.4914 0.5862 0.4525 0.1324 -0.0346 -0.0662 119 VAL B CA 1582 C C . VAL B 95 ? 0.5494 0.6380 0.5015 0.1302 -0.0342 -0.0911 119 VAL B C 1583 O O . VAL B 95 ? 0.5996 0.7130 0.5355 0.1219 -0.0307 -0.0949 119 VAL B O 1584 C CB . VAL B 95 ? 0.3908 0.5348 0.3569 0.1376 -0.0230 -0.0660 119 VAL B CB 1585 C CG1 . VAL B 95 ? 0.4193 0.5757 0.4025 0.1522 -0.0179 -0.0905 119 VAL B CG1 1586 C CG2 . VAL B 95 ? 0.3802 0.5317 0.3557 0.1355 -0.0224 -0.0415 119 VAL B CG2 1587 N N . LYS B 96 ? 0.6177 0.6730 0.5815 0.1377 -0.0388 -0.1079 120 LYS B N 1588 C CA . LYS B 96 ? 0.6555 0.6963 0.6143 0.1342 -0.0387 -0.1347 120 LYS B CA 1589 C C . LYS B 96 ? 0.6737 0.7234 0.6483 0.1498 -0.0325 -0.1643 120 LYS B C 1590 O O . LYS B 96 ? 0.6167 0.6785 0.6103 0.1649 -0.0297 -0.1625 120 LYS B O 1591 C CB . LYS B 96 ? 0.7082 0.6918 0.6671 0.1267 -0.0487 -0.1300 120 LYS B CB 1592 C CG . LYS B 96 ? 0.7906 0.7342 0.7689 0.1408 -0.0559 -0.1257 120 LYS B CG 1593 C CD . LYS B 96 ? 0.8896 0.7743 0.8661 0.1332 -0.0639 -0.1261 120 LYS B CD 1594 C CE . LYS B 96 ? 0.9745 0.8424 0.9570 0.1335 -0.0604 -0.1595 120 LYS B CE 1595 N NZ . LYS B 96 ? 1.0563 0.8630 1.0374 0.1226 -0.0674 -0.1567 120 LYS B NZ 1596 N N . VAL B 97 ? 0.7401 0.7862 0.7088 0.1456 -0.0298 -0.1937 121 VAL B N 1597 C CA . VAL B 97 ? 0.7792 0.8287 0.7634 0.1598 -0.0228 -0.2284 121 VAL B CA 1598 C C . VAL B 97 ? 0.8602 0.8479 0.8556 0.1596 -0.0299 -0.2451 121 VAL B C 1599 O O . VAL B 97 ? 0.8877 0.8385 0.8743 0.1453 -0.0386 -0.2299 121 VAL B O 1600 C CB . VAL B 97 ? 0.7525 0.8551 0.7188 0.1545 -0.0116 -0.2545 121 VAL B CB 1601 C CG1 . VAL B 97 ? 0.6940 0.8548 0.6562 0.1602 -0.0014 -0.2418 121 VAL B CG1 1602 C CG2 . VAL B 97 ? 0.8017 0.9106 0.7418 0.1329 -0.0166 -0.2527 121 VAL B CG2 1603 N N . TYR B 98 ? 0.9441 0.9200 0.9604 0.1753 -0.0250 -0.2763 122 TYR B N 1604 C CA . TYR B 98 ? 1.0934 1.0046 1.1247 0.1773 -0.0309 -0.2929 122 TYR B CA 1605 C C . TYR B 98 ? 1.1854 1.0826 1.1970 0.1531 -0.0316 -0.3103 122 TYR B C 1606 O O . TYR B 98 ? 1.1819 1.1154 1.1827 0.1469 -0.0232 -0.3418 122 TYR B O 1607 C CB . TYR B 98 ? 1.2222 1.1292 1.2828 0.2008 -0.0233 -0.3281 122 TYR B CB 1608 C CG . TYR B 98 ? 1.3848 1.2209 1.4642 0.2027 -0.0284 -0.3401 122 TYR B CG 1609 C CD1 . TYR B 98 ? 1.4454 1.2607 1.5139 0.1830 -0.0249 -0.3645 122 TYR B CD1 1610 C CD2 . TYR B 98 ? 1.4574 1.2505 1.5641 0.2206 -0.0363 -0.3205 122 TYR B CD2 1611 C CE1 . TYR B 98 ? 1.4833 1.2325 1.5675 0.1814 -0.0275 -0.3697 122 TYR B CE1 1612 C CE2 . TYR B 98 ? 1.5024 1.2310 1.6232 0.2202 -0.0396 -0.3232 122 TYR B CE2 1613 C CZ . TYR B 98 ? 1.4815 1.1861 1.5910 0.2006 -0.0343 -0.3482 122 TYR B CZ 1614 O OH . TYR B 98 ? 1.4658 1.1036 1.5885 0.1994 -0.0360 -0.3499 122 TYR B OH 1615 N N . ASN B 99 ? 1.3105 1.1595 1.3170 0.1381 -0.0413 -0.2900 123 ASN B N 1616 C CA . ASN B 99 ? 1.4767 1.3129 1.4689 0.1125 -0.0424 -0.3045 123 ASN B CA 1617 C C . ASN B 99 ? 1.6639 1.4222 1.6679 0.1044 -0.0488 -0.3041 123 ASN B C 1618 O O . ASN B 99 ? 1.6626 1.4054 1.6562 0.0795 -0.0508 -0.3061 123 ASN B O 1619 C CB . ASN B 99 ? 1.4932 1.3640 1.4616 0.0936 -0.0455 -0.2770 123 ASN B CB 1620 C CG . ASN B 99 ? 1.5285 1.3744 1.4965 0.0945 -0.0525 -0.2341 123 ASN B CG 1621 O OD1 . ASN B 99 ? 1.6599 1.4706 1.6429 0.1105 -0.0565 -0.2220 123 ASN B OD1 1622 N ND2 . ASN B 99 ? 1.4041 1.2691 1.3556 0.0776 -0.0547 -0.2122 123 ASN B ND2 1623 N N . ARG B 100 ? 1.7969 1.5077 1.8237 0.1251 -0.0524 -0.2987 124 ARG B N 1624 C CA . ARG B 100 ? 1.9457 1.5761 1.9849 0.1202 -0.0588 -0.2947 124 ARG B CA 1625 C C . ARG B 100 ? 1.8680 1.4698 1.8905 0.1013 -0.0671 -0.2525 124 ARG B C 1626 O O . ARG B 100 ? 1.9024 1.4392 1.9290 0.0913 -0.0717 -0.2440 124 ARG B O 1627 C CB . ARG B 100 ? 2.0960 1.7065 2.1383 0.1031 -0.0517 -0.3330 124 ARG B CB 1628 C CG . ARG B 100 ? 2.2250 1.8623 2.2802 0.1188 -0.0400 -0.3655 124 ARG B CG 1629 C CD . ARG B 100 ? 2.2740 1.9787 2.3111 0.1059 -0.0318 -0.3961 124 ARG B CD 1630 N NE . ARG B 100 ? 2.4271 2.1168 2.4551 0.0782 -0.0298 -0.4174 124 ARG B NE 1631 C CZ . ARG B 100 ? 2.5430 2.2887 2.5517 0.0606 -0.0266 -0.4377 124 ARG B CZ 1632 N NH1 . ARG B 100 ? 2.5159 2.3330 2.5098 0.0680 -0.0243 -0.4368 124 ARG B NH1 1633 N NH2 . ARG B 100 ? 2.6682 2.3999 2.6716 0.0354 -0.0265 -0.4561 124 ARG B NH2 1634 N N . GLN B 101 ? 1.7058 1.3556 1.7095 0.0960 -0.0678 -0.2268 125 GLN B N 1635 C CA . GLN B 101 ? 1.5785 1.2113 1.5652 0.0794 -0.0736 -0.1888 125 GLN B CA 1636 C C . GLN B 101 ? 1.4660 1.1215 1.4495 0.0958 -0.0786 -0.1574 125 GLN B C 1637 O O . GLN B 101 ? 1.4056 1.1099 1.3944 0.1117 -0.0752 -0.1640 125 GLN B O 1638 C CB . GLN B 101 ? 1.5296 1.1982 1.4974 0.0518 -0.0690 -0.1907 125 GLN B CB 1639 C CG . GLN B 101 ? 1.5743 1.2162 1.5443 0.0280 -0.0660 -0.2157 125 GLN B CG 1640 C CD . GLN B 101 ? 1.6160 1.2395 1.5736 0.0001 -0.0667 -0.1927 125 GLN B CD 1641 O OE1 . GLN B 101 ? 1.6327 1.2898 1.5841 -0.0216 -0.0632 -0.2027 125 GLN B OE1 1642 N NE2 . GLN B 101 ? 1.6514 1.2252 1.6054 0.0007 -0.0714 -0.1612 125 GLN B NE2 1643 N N . THR B 102 ? 1.4149 1.0357 1.3891 0.0901 -0.0863 -0.1238 126 THR B N 1644 C CA . THR B 102 ? 1.3219 0.9649 1.2888 0.0991 -0.0918 -0.0938 126 THR B CA 1645 C C . THR B 102 ? 1.2018 0.8708 1.1452 0.0760 -0.0879 -0.0776 126 THR B C 1646 O O . THR B 102 ? 1.2377 0.8846 1.1700 0.0533 -0.0853 -0.0759 126 THR B O 1647 C CB . THR B 102 ? 1.3877 0.9795 1.3579 0.1098 -0.1045 -0.0670 126 THR B CB 1648 O OG1 . THR B 102 ? 1.3813 1.0019 1.3447 0.1177 -0.1104 -0.0421 126 THR B OG1 1649 C CG2 . THR B 102 ? 1.4129 0.9502 1.3659 0.0866 -0.1068 -0.0498 126 THR B CG2 1650 N N . ILE B 103 ? 1.0514 0.7674 0.9900 0.0818 -0.0865 -0.0667 127 ILE B N 1651 C CA . ILE B 103 ? 0.9175 0.6639 0.8392 0.0638 -0.0814 -0.0557 127 ILE B CA 1652 C C . ILE B 103 ? 0.8689 0.6118 0.7781 0.0619 -0.0860 -0.0260 127 ILE B C 1653 O O . ILE B 103 ? 0.8746 0.6045 0.7885 0.0765 -0.0944 -0.0133 127 ILE B O 1654 C CB . ILE B 103 ? 0.8395 0.6460 0.7642 0.0685 -0.0741 -0.0687 127 ILE B CB 1655 C CG1 . ILE B 103 ? 0.7809 0.6132 0.7152 0.0890 -0.0755 -0.0620 127 ILE B CG1 1656 C CG2 . ILE B 103 ? 0.8903 0.7072 0.8221 0.0678 -0.0695 -0.1001 127 ILE B CG2 1657 C CD1 . ILE B 103 ? 0.7149 0.6036 0.6485 0.0913 -0.0678 -0.0665 127 ILE B CD1 1658 N N . GLN B 104 ? 0.7791 0.5368 0.6738 0.0437 -0.0806 -0.0170 128 GLN B N 1659 C CA . GLN B 104 ? 0.6785 0.4414 0.5598 0.0392 -0.0820 0.0059 128 GLN B CA 1660 C C . GLN B 104 ? 0.6180 0.4248 0.4972 0.0313 -0.0729 0.0039 128 GLN B C 1661 O O . GLN B 104 ? 0.6658 0.4802 0.5427 0.0162 -0.0665 -0.0032 128 GLN B O 1662 C CB . GLN B 104 ? 0.7452 0.4657 0.6083 0.0226 -0.0846 0.0227 128 GLN B CB 1663 C CG . GLN B 104 ? 0.7562 0.4853 0.6009 0.0143 -0.0841 0.0426 128 GLN B CG 1664 C CD . GLN B 104 ? 0.7818 0.4722 0.6040 -0.0042 -0.0850 0.0598 128 GLN B CD 1665 O OE1 . GLN B 104 ? 0.8701 0.5197 0.6915 -0.0084 -0.0885 0.0615 128 GLN B OE1 1666 N NE2 . GLN B 104 ? 0.7015 0.4035 0.5048 -0.0161 -0.0810 0.0723 128 GLN B NE2 1667 N N . VAL B 105 ? 0.5500 0.3856 0.4328 0.0416 -0.0726 0.0104 129 VAL B N 1668 C CA . VAL B 105 ? 0.4925 0.3651 0.3759 0.0369 -0.0646 0.0115 129 VAL B CA 1669 C C . VAL B 105 ? 0.4554 0.3222 0.3268 0.0284 -0.0634 0.0273 129 VAL B C 1670 O O . VAL B 105 ? 0.4526 0.3058 0.3189 0.0332 -0.0701 0.0376 129 VAL B O 1671 C CB . VAL B 105 ? 0.4324 0.3408 0.3285 0.0521 -0.0628 0.0076 129 VAL B CB 1672 C CG1 . VAL B 105 ? 0.4234 0.3645 0.3212 0.0483 -0.0553 0.0120 129 VAL B CG1 1673 C CG2 . VAL B 105 ? 0.4388 0.3562 0.3435 0.0604 -0.0628 -0.0107 129 VAL B CG2 1674 N N . SER B 106 ? 0.4269 0.3072 0.2952 0.0159 -0.0551 0.0275 130 SER B N 1675 C CA . SER B 106 ? 0.4575 0.3364 0.3151 0.0071 -0.0510 0.0379 130 SER B CA 1676 C C . SER B 106 ? 0.3901 0.3022 0.2591 0.0093 -0.0425 0.0363 130 SER B C 1677 O O . SER B 106 ? 0.4053 0.3404 0.2861 0.0098 -0.0381 0.0293 130 SER B O 1678 C CB . SER B 106 ? 0.4288 0.2865 0.2712 -0.0122 -0.0470 0.0405 130 SER B CB 1679 O OG . SER B 106 ? 0.5406 0.3609 0.3672 -0.0148 -0.0556 0.0500 130 SER B OG 1680 N N . LEU B 107 ? 0.3364 0.2506 0.2028 0.0109 -0.0412 0.0428 131 LEU B N 1681 C CA . LEU B 107 ? 0.4110 0.3479 0.2889 0.0121 -0.0323 0.0422 131 LEU B CA 1682 C C . LEU B 107 ? 0.5137 0.4499 0.3857 -0.0022 -0.0231 0.0393 131 LEU B C 1683 O O . LEU B 107 ? 0.5464 0.4642 0.3995 -0.0136 -0.0222 0.0420 131 LEU B O 1684 C CB . LEU B 107 ? 0.4130 0.3497 0.2923 0.0167 -0.0333 0.0471 131 LEU B CB 1685 C CG . LEU B 107 ? 0.4319 0.3824 0.3234 0.0168 -0.0231 0.0461 131 LEU B CG 1686 C CD1 . LEU B 107 ? 0.4109 0.3850 0.3229 0.0276 -0.0198 0.0474 131 LEU B CD1 1687 C CD2 . LEU B 107 ? 0.4991 0.4442 0.3905 0.0172 -0.0247 0.0482 131 LEU B CD2 1688 N N . MET B 108 ? 0.4611 0.4209 0.3494 -0.0014 -0.0163 0.0342 132 MET B N 1689 C CA . MET B 108 ? 0.3840 0.3507 0.2731 -0.0145 -0.0063 0.0290 132 MET B CA 1690 C C . MET B 108 ? 0.4137 0.3952 0.3158 -0.0109 0.0038 0.0270 132 MET B C 1691 O O . MET B 108 ? 0.4152 0.4094 0.3345 0.0031 0.0033 0.0298 132 MET B O 1692 C CB . MET B 108 ? 0.3691 0.3568 0.2726 -0.0166 -0.0061 0.0223 132 MET B CB 1693 C CG . MET B 108 ? 0.3610 0.3303 0.2532 -0.0238 -0.0137 0.0197 132 MET B CG 1694 S SD . MET B 108 ? 0.6936 0.6291 0.5617 -0.0463 -0.0096 0.0229 132 MET B SD 1695 C CE . MET B 108 ? 0.5825 0.4881 0.4431 -0.0469 -0.0213 0.0218 132 MET B CE 1696 N N . LEU B 109 ? 0.4264 0.4045 0.3199 -0.0242 0.0140 0.0222 133 LEU B N 1697 C CA . LEU B 109 ? 0.3812 0.3737 0.2899 -0.0218 0.0265 0.0153 133 LEU B CA 1698 C C . LEU B 109 ? 0.3943 0.4066 0.3121 -0.0332 0.0384 0.0064 133 LEU B C 1699 O O . LEU B 109 ? 0.3525 0.3555 0.2490 -0.0513 0.0448 0.0039 133 LEU B O 1700 C CB . LEU B 109 ? 0.4233 0.3970 0.3126 -0.0275 0.0297 0.0135 133 LEU B CB 1701 C CG . LEU B 109 ? 0.4398 0.4240 0.3442 -0.0260 0.0443 0.0019 133 LEU B CG 1702 C CD1 . LEU B 109 ? 0.4565 0.4526 0.3954 -0.0064 0.0443 0.0036 133 LEU B CD1 1703 C CD2 . LEU B 109 ? 0.4614 0.4276 0.3417 -0.0348 0.0460 -0.0029 133 LEU B CD2 1704 N N . ASN B 110 ? 0.3670 0.4091 0.3168 -0.0227 0.0409 0.0029 134 ASN B N 1705 C CA . ASN B 110 ? 0.3327 0.4028 0.2999 -0.0316 0.0510 -0.0065 134 ASN B CA 1706 C C . ASN B 110 ? 0.3517 0.4153 0.3018 -0.0506 0.0478 -0.0062 134 ASN B C 1707 O O . ASN B 110 ? 0.4048 0.4725 0.3484 -0.0696 0.0592 -0.0121 134 ASN B O 1708 C CB . ASN B 110 ? 0.3486 0.4234 0.3173 -0.0391 0.0689 -0.0175 134 ASN B CB 1709 C CG . ASN B 110 ? 0.3249 0.4017 0.3147 -0.0206 0.0734 -0.0207 134 ASN B CG 1710 O OD1 . ASN B 110 ? 0.3081 0.3912 0.3193 -0.0016 0.0647 -0.0130 134 ASN B OD1 1711 N ND2 . ASN B 110 ? 0.3957 0.4662 0.3785 -0.0270 0.0877 -0.0322 134 ASN B ND2 1712 N N . GLY B 111 ? 0.3780 0.4307 0.3214 -0.0461 0.0333 0.0001 135 GLY B N 1713 C CA . GLY B 111 ? 0.4495 0.4923 0.3817 -0.0617 0.0286 -0.0010 135 GLY B CA 1714 C C . GLY B 111 ? 0.5134 0.5148 0.4108 -0.0772 0.0280 0.0059 135 GLY B C 1715 O O . GLY B 111 ? 0.5142 0.5003 0.4028 -0.0911 0.0251 0.0061 135 GLY B O 1716 N N . TRP B 112 ? 0.4633 0.4457 0.3413 -0.0748 0.0297 0.0120 136 TRP B N 1717 C CA . TRP B 112 ? 0.4878 0.4329 0.3305 -0.0873 0.0264 0.0219 136 TRP B CA 1718 C C . TRP B 112 ? 0.4255 0.3498 0.2570 -0.0717 0.0127 0.0303 136 TRP B C 1719 O O . TRP B 112 ? 0.4318 0.3686 0.2749 -0.0575 0.0126 0.0280 136 TRP B O 1720 C CB . TRP B 112 ? 0.5637 0.5104 0.3884 -0.1042 0.0412 0.0207 136 TRP B CB 1721 C CG . TRP B 112 ? 0.5714 0.5370 0.4055 -0.1236 0.0551 0.0138 136 TRP B CG 1722 C CD1 . TRP B 112 ? 0.5688 0.5750 0.4346 -0.1225 0.0677 0.0001 136 TRP B CD1 1723 C CD2 . TRP B 112 ? 0.6287 0.5743 0.4432 -0.1475 0.0580 0.0208 136 TRP B CD2 1724 N NE1 . TRP B 112 ? 0.6526 0.6703 0.5214 -0.1451 0.0787 -0.0037 136 TRP B NE1 1725 C CE2 . TRP B 112 ? 0.7069 0.6859 0.5433 -0.1621 0.0737 0.0093 136 TRP B CE2 1726 C CE3 . TRP B 112 ? 0.6576 0.5598 0.4406 -0.1575 0.0488 0.0367 136 TRP B CE3 1727 C CZ2 . TRP B 112 ? 0.5097 0.4798 0.3361 -0.1894 0.0818 0.0127 136 TRP B CZ2 1728 C CZ3 . TRP B 112 ? 0.6582 0.5464 0.4301 -0.1832 0.0562 0.0420 136 TRP B CZ3 1729 C CH2 . TRP B 112 ? 0.5457 0.4677 0.3387 -0.2003 0.0731 0.0298 136 TRP B CH2 1730 N N . PRO B 113 ? 0.4211 0.3135 0.2330 -0.0741 0.0013 0.0402 137 PRO B N 1731 C CA . PRO B 113 ? 0.4163 0.2934 0.2227 -0.0585 -0.0126 0.0473 137 PRO B CA 1732 C C . PRO B 113 ? 0.4249 0.2966 0.2125 -0.0592 -0.0137 0.0525 137 PRO B C 1733 O O . PRO B 113 ? 0.8219 0.6850 0.5848 -0.0750 -0.0081 0.0565 137 PRO B O 1734 C CB . PRO B 113 ? 0.5452 0.3890 0.3385 -0.0622 -0.0231 0.0556 137 PRO B CB 1735 C CG . PRO B 113 ? 0.5885 0.4202 0.3650 -0.0854 -0.0140 0.0592 137 PRO B CG 1736 C CD . PRO B 113 ? 0.4556 0.3232 0.2513 -0.0921 0.0013 0.0460 137 PRO B CD 1737 N N . VAL B 114 ? 0.6716 0.5510 0.4706 -0.0434 -0.0203 0.0517 138 VAL B N 1738 C CA . VAL B 114 ? 0.5744 0.4509 0.3595 -0.0434 -0.0240 0.0543 138 VAL B CA 1739 C C . VAL B 114 ? 0.5395 0.3979 0.3153 -0.0355 -0.0419 0.0653 138 VAL B C 1740 O O . VAL B 114 ? 0.5077 0.3513 0.2573 -0.0429 -0.0496 0.0743 138 VAL B O 1741 C CB . VAL B 114 ? 0.4673 0.3649 0.2757 -0.0330 -0.0186 0.0455 138 VAL B CB 1742 C CG1 . VAL B 114 ? 0.4757 0.3704 0.2705 -0.0363 -0.0224 0.0446 138 VAL B CG1 1743 C CG2 . VAL B 114 ? 0.4412 0.3571 0.2652 -0.0364 -0.0021 0.0351 138 VAL B CG2 1744 N N . ILE B 115 ? 0.5477 0.4105 0.3457 -0.0197 -0.0485 0.0643 139 ILE B N 1745 C CA . ILE B 115 ? 0.5875 0.4381 0.3858 -0.0083 -0.0643 0.0719 139 ILE B CA 1746 C C . ILE B 115 ? 0.6326 0.4759 0.4450 0.0005 -0.0670 0.0694 139 ILE B C 1747 O O . ILE B 115 ? 0.5993 0.4547 0.4239 -0.0006 -0.0578 0.0607 139 ILE B O 1748 C CB . ILE B 115 ? 0.5012 0.3712 0.3166 0.0034 -0.0689 0.0693 139 ILE B CB 1749 C CG1 . ILE B 115 ? 0.4950 0.3876 0.3369 0.0120 -0.0593 0.0609 139 ILE B CG1 1750 C CG2 . ILE B 115 ? 0.4466 0.3215 0.2477 -0.0066 -0.0681 0.0689 139 ILE B CG2 1751 C CD1 . ILE B 115 ? 0.5185 0.4293 0.3791 0.0215 -0.0616 0.0599 139 ILE B CD1 1752 N N . SER B 116 ? 0.6506 0.4759 0.4627 0.0100 -0.0803 0.0756 140 SER B N 1753 C CA . SER B 116 ? 0.5977 0.4125 0.4236 0.0191 -0.0829 0.0699 140 SER B CA 1754 C C . SER B 116 ? 0.5609 0.3815 0.4048 0.0391 -0.0936 0.0688 140 SER B C 1755 O O . SER B 116 ? 0.4864 0.3113 0.3291 0.0442 -0.1028 0.0768 140 SER B O 1756 C CB . SER B 116 ? 0.6751 0.4516 0.4841 0.0089 -0.0864 0.0776 140 SER B CB 1757 O OG . SER B 116 ? 0.7209 0.4969 0.5163 -0.0112 -0.0744 0.0771 140 SER B OG 1758 N N . ALA B 117 ? 0.5541 0.3790 0.4160 0.0495 -0.0918 0.0570 141 ALA B N 1759 C CA . ALA B 117 ? 0.5610 0.3933 0.4432 0.0691 -0.0993 0.0524 141 ALA B CA 1760 C C . ALA B 117 ? 0.4973 0.3066 0.3871 0.0753 -0.1007 0.0421 141 ALA B C 1761 O O . ALA B 117 ? 0.5357 0.3357 0.4190 0.0639 -0.0935 0.0347 141 ALA B O 1762 C CB . ALA B 117 ? 0.6067 0.4806 0.5067 0.0764 -0.0916 0.0439 141 ALA B CB 1763 N N . PHE B 118 ? 0.4960 0.2974 0.4024 0.0934 -0.1097 0.0397 142 PHE B N 1764 C CA . PHE B 118 ? 0.6169 0.3898 0.5331 0.1010 -0.1116 0.0282 142 PHE B CA 1765 C C . PHE B 118 ? 0.6355 0.4336 0.5794 0.1216 -0.1096 0.0096 142 PHE B C 1766 O O . PHE B 118 ? 0.6612 0.4946 0.6178 0.1312 -0.1096 0.0107 142 PHE B O 1767 C CB . PHE B 118 ? 0.7375 0.4628 0.6467 0.1038 -0.1255 0.0450 142 PHE B CB 1768 C CG . PHE B 118 ? 0.8908 0.5927 0.7691 0.0818 -0.1261 0.0642 142 PHE B CG 1769 C CD1 . PHE B 118 ? 0.9041 0.6220 0.7660 0.0752 -0.1299 0.0802 142 PHE B CD1 1770 C CD2 . PHE B 118 ? 1.0111 0.6767 0.8769 0.0660 -0.1215 0.0643 142 PHE B CD2 1771 C CE1 . PHE B 118 ? 0.9210 0.6211 0.7526 0.0544 -0.1283 0.0954 142 PHE B CE1 1772 C CE2 . PHE B 118 ? 1.0158 0.6639 0.8531 0.0442 -0.1196 0.0816 142 PHE B CE2 1773 C CZ . PHE B 118 ? 0.9807 0.6470 0.7998 0.0389 -0.1226 0.0969 142 PHE B CZ 1774 N N . ALA B 119 ? 0.6958 0.4765 0.6493 0.1267 -0.1065 -0.0090 143 ALA B N 1775 C CA . ALA B 119 ? 0.7530 0.5572 0.7317 0.1457 -0.1023 -0.0312 143 ALA B CA 1776 C C . ALA B 119 ? 0.9046 0.6672 0.8950 0.1538 -0.1046 -0.0474 143 ALA B C 1777 O O . ALA B 119 ? 0.9478 0.6837 0.9264 0.1388 -0.1009 -0.0552 143 ALA B O 1778 C CB . ALA B 119 ? 0.6760 0.5264 0.6514 0.1393 -0.0883 -0.0466 143 ALA B CB 1779 N N . GLY B 120 ? 1.0186 0.7765 1.0357 0.1777 -0.1106 -0.0536 144 GLY B N 1780 C CA . GLY B 120 ? 1.1805 0.8937 1.2145 0.1896 -0.1136 -0.0690 144 GLY B CA 1781 C C . GLY B 120 ? 1.2413 0.9708 1.2823 0.1889 -0.0994 -0.1055 144 GLY B C 1782 O O . GLY B 120 ? 1.1134 0.8867 1.1410 0.1767 -0.0885 -0.1149 144 GLY B O 1783 N N . ASP B 121 ? 1.4282 1.1217 1.4903 0.2025 -0.1001 -0.1263 145 ASP B N 1784 C CA . ASP B 121 ? 1.5649 1.2705 1.6346 0.2027 -0.0870 -0.1662 145 ASP B CA 1785 C C . ASP B 121 ? 1.6045 1.3306 1.7095 0.2329 -0.0836 -0.1881 145 ASP B C 1786 O O . ASP B 121 ? 1.6715 1.3651 1.7999 0.2483 -0.0902 -0.1809 145 ASP B O 1787 C CB . ASP B 121 ? 1.6839 1.3272 1.7504 0.1902 -0.0879 -0.1785 145 ASP B CB 1788 C CG . ASP B 121 ? 1.7379 1.3988 1.8043 0.1822 -0.0746 -0.2212 145 ASP B CG 1789 O OD1 . ASP B 121 ? 1.6567 1.3808 1.7130 0.1787 -0.0651 -0.2340 145 ASP B OD1 1790 O OD2 . ASP B 121 ? 1.8472 1.4581 1.9232 0.1790 -0.0741 -0.2418 145 ASP B OD2 1791 N N . GLN B 122 ? 1.5661 1.3550 1.6723 0.2354 -0.0701 -0.2091 146 GLN B N 1792 C CA . GLN B 122 ? 1.5882 1.4080 1.7272 0.2604 -0.0626 -0.2315 146 GLN B CA 1793 C C . GLN B 122 ? 1.7177 1.5959 1.8497 0.2570 -0.0440 -0.2653 146 GLN B C 1794 O O . GLN B 122 ? 1.7320 1.6468 1.8343 0.2376 -0.0386 -0.2582 146 GLN B O 1795 C CB . GLN B 122 ? 1.4387 1.2887 1.5933 0.2736 -0.0698 -0.2037 146 GLN B CB 1796 C CG . GLN B 122 ? 1.3609 1.2544 1.5486 0.2914 -0.0602 -0.2169 146 GLN B CG 1797 C CD . GLN B 122 ? 1.3609 1.2149 1.5775 0.3066 -0.0652 -0.2164 146 GLN B CD 1798 O OE1 . GLN B 122 ? 1.3535 1.1644 1.5705 0.3052 -0.0621 -0.2335 146 GLN B OE1 1799 N NE2 . GLN B 122 ? 1.2902 1.1593 1.5315 0.3208 -0.0730 -0.1964 146 GLN B NE2 1800 N N . ASP B 123 ? 1.8212 1.7127 1.9749 0.2672 -0.0326 -0.2907 147 ASP B N 1801 C CA . ASP B 123 ? 1.8257 1.7701 1.9694 0.2613 -0.0143 -0.3229 147 ASP B CA 1802 C C . ASP B 123 ? 1.8192 1.8302 1.9771 0.2724 -0.0037 -0.3213 147 ASP B C 1803 O O . ASP B 123 ? 1.7693 1.8363 1.9070 0.2629 0.0087 -0.3301 147 ASP B O 1804 C CB . ASP B 123 ? 1.7971 1.7141 1.9520 0.2622 -0.0065 -0.3551 147 ASP B CB 1805 C CG . ASP B 123 ? 1.6824 1.6460 1.8159 0.2488 0.0093 -0.3876 147 ASP B CG 1806 O OD1 . ASP B 123 ? 1.5738 1.5348 1.6773 0.2279 0.0078 -0.3938 147 ASP B OD1 1807 O OD2 . ASP B 123 ? 1.6867 1.6916 1.8328 0.2579 0.0229 -0.4059 147 ASP B OD2 1808 N N . VAL B 124 ? 1.8471 1.8525 2.0389 0.2909 -0.0088 -0.3080 148 VAL B N 1809 C CA . VAL B 124 ? 1.7985 1.8645 2.0110 0.3008 0.0017 -0.3082 148 VAL B CA 1810 C C . VAL B 124 ? 1.6788 1.7933 1.8714 0.2900 0.0038 -0.2880 148 VAL B C 1811 O O . VAL B 124 ? 1.6009 1.7749 1.7968 0.2886 0.0181 -0.2920 148 VAL B O 1812 C CB . VAL B 124 ? 1.3760 1.4267 1.6291 0.3212 -0.0078 -0.2928 148 VAL B CB 1813 C CG1 . VAL B 124 ? 1.4020 1.4284 1.6525 0.3202 -0.0280 -0.2540 148 VAL B CG1 1814 C CG2 . VAL B 124 ? 1.3130 1.4273 1.5915 0.3303 0.0060 -0.3008 148 VAL B CG2 1815 N N . THR B 125 ? 1.6379 1.7250 1.8096 0.2817 -0.0097 -0.2651 149 THR B N 1816 C CA . THR B 125 ? 1.5485 1.6728 1.7016 0.2704 -0.0091 -0.2403 149 THR B CA 1817 C C . THR B 125 ? 1.5426 1.6340 1.6565 0.2464 -0.0179 -0.2190 149 THR B C 1818 O O . THR B 125 ? 1.5787 1.6167 1.6854 0.2430 -0.0270 -0.2230 149 THR B O 1819 C CB . THR B 125 ? 1.4518 1.5835 1.6316 0.2802 -0.0197 -0.2129 149 THR B CB 1820 O OG1 . THR B 125 ? 1.3357 1.5060 1.4976 0.2624 -0.0152 -0.1882 149 THR B OG1 1821 C CG2 . THR B 125 ? 1.4715 1.5389 1.6527 0.2827 -0.0421 -0.1905 149 THR B CG2 1822 N N . ARG B 126 ? 1.4754 1.5998 1.5666 0.2296 -0.0141 -0.1965 150 ARG B N 1823 C CA . ARG B 126 ? 1.4242 1.5238 1.4852 0.2091 -0.0228 -0.1715 150 ARG B CA 1824 C C . ARG B 126 ? 1.4381 1.5042 1.5080 0.2104 -0.0384 -0.1424 150 ARG B C 1825 O O . ARG B 126 ? 1.4605 1.5399 1.5567 0.2236 -0.0416 -0.1357 150 ARG B O 1826 C CB . ARG B 126 ? 1.3505 1.4967 1.3874 0.1935 -0.0128 -0.1585 150 ARG B CB 1827 C CG . ARG B 126 ? 1.3466 1.5304 1.3674 0.1902 0.0010 -0.1843 150 ARG B CG 1828 C CD . ARG B 126 ? 1.3455 1.5683 1.3385 0.1743 0.0075 -0.1652 150 ARG B CD 1829 N NE . ARG B 126 ? 1.4050 1.6679 1.3779 0.1705 0.0190 -0.1880 150 ARG B NE 1830 C CZ . ARG B 126 ? 1.4953 1.7680 1.4379 0.1564 0.0170 -0.1866 150 ARG B CZ 1831 N NH1 . ARG B 126 ? 1.4688 1.7143 1.4006 0.1453 0.0053 -0.1641 150 ARG B NH1 1832 N NH2 . ARG B 126 ? 1.5706 1.8846 1.4938 0.1535 0.0267 -0.2089 150 ARG B NH2 1833 N N . GLU B 127 ? 1.4039 1.4308 1.4521 0.1958 -0.0479 -0.1262 151 GLU B N 1834 C CA . GLU B 127 ? 1.3634 1.3620 1.4115 0.1930 -0.0617 -0.0980 151 GLU B CA 1835 C C . GLU B 127 ? 1.2133 1.2165 1.2343 0.1719 -0.0611 -0.0768 151 GLU B C 1836 O O . GLU B 127 ? 1.1864 1.1993 1.1883 0.1598 -0.0540 -0.0830 151 GLU B O 1837 C CB . GLU B 127 ? 1.4488 1.3870 1.4986 0.1969 -0.0745 -0.0974 151 GLU B CB 1838 C CG . GLU B 127 ? 1.4872 1.4106 1.5700 0.2217 -0.0799 -0.1105 151 GLU B CG 1839 C CD . GLU B 127 ? 1.4725 1.3533 1.5616 0.2285 -0.0986 -0.0867 151 GLU B CD 1840 O OE1 . GLU B 127 ? 1.4615 1.3533 1.5422 0.2215 -0.1060 -0.0617 151 GLU B OE1 1841 O OE2 . GLU B 127 ? 1.4590 1.2946 1.5606 0.2406 -0.1062 -0.0927 151 GLU B OE2 1842 N N . ALA B 128 ? 1.0844 1.0827 1.1054 0.1682 -0.0689 -0.0533 152 ALA B N 1843 C CA . ALA B 128 ? 0.9582 0.9629 0.9588 0.1505 -0.0669 -0.0350 152 ALA B CA 1844 C C . ALA B 128 ? 0.8705 0.8343 0.8572 0.1413 -0.0784 -0.0179 152 ALA B C 1845 O O . ALA B 128 ? 0.9086 0.8554 0.9039 0.1484 -0.0899 -0.0088 152 ALA B O 1846 C CB . ALA B 128 ? 0.9094 0.9536 0.9208 0.1504 -0.0616 -0.0248 152 ALA B CB 1847 N N . ALA B 129 ? 0.7692 0.7211 0.7345 0.1253 -0.0754 -0.0133 153 ALA B N 1848 C CA . ALA B 129 ? 0.6318 0.5553 0.5805 0.1127 -0.0820 0.0036 153 ALA B CA 1849 C C . ALA B 129 ? 0.5127 0.4609 0.4582 0.1050 -0.0776 0.0161 153 ALA B C 1850 O O . ALA B 129 ? 0.5637 0.5291 0.5026 0.0969 -0.0686 0.0162 153 ALA B O 1851 C CB . ALA B 129 ? 0.6383 0.5388 0.5701 0.0989 -0.0794 -0.0002 153 ALA B CB 1852 N N . SER B 130 ? 0.4494 0.3996 0.4015 0.1079 -0.0847 0.0262 154 SER B N 1853 C CA . SER B 130 ? 0.4379 0.4106 0.3917 0.1007 -0.0801 0.0349 154 SER B CA 1854 C C . SER B 130 ? 0.4537 0.4067 0.3931 0.0902 -0.0879 0.0467 154 SER B C 1855 O O . SER B 130 ? 0.5117 0.4447 0.4468 0.0935 -0.1005 0.0517 154 SER B O 1856 C CB . SER B 130 ? 0.5337 0.5388 0.5120 0.1108 -0.0792 0.0324 154 SER B CB 1857 O OG . SER B 130 ? 0.6587 0.6819 0.6488 0.1220 -0.0725 0.0192 154 SER B OG 1858 N N . ASN B 131 ? 0.4030 0.3621 0.3345 0.0780 -0.0802 0.0510 155 ASN B N 1859 C CA . ASN B 131 ? 0.4031 0.3507 0.3212 0.0667 -0.0848 0.0583 155 ASN B CA 1860 C C . ASN B 131 ? 0.4006 0.3615 0.3210 0.0574 -0.0732 0.0586 155 ASN B C 1861 O O . ASN B 131 ? 0.3896 0.3654 0.3197 0.0600 -0.0629 0.0568 155 ASN B O 1862 C CB . ASN B 131 ? 0.4457 0.3620 0.3388 0.0582 -0.0886 0.0622 155 ASN B CB 1863 C CG . ASN B 131 ? 0.5151 0.4193 0.3912 0.0504 -0.0991 0.0705 155 ASN B CG 1864 O OD1 . ASN B 131 ? 0.4847 0.4040 0.3640 0.0456 -0.0996 0.0704 155 ASN B OD1 1865 N ND2 . ASN B 131 ? 0.5336 0.4101 0.3905 0.0479 -0.1077 0.0781 155 ASN B ND2 1866 N N . GLY B 132 ? 0.4222 0.3772 0.3335 0.0468 -0.0752 0.0608 156 GLY B N 1867 C CA . GLY B 132 ? 0.4152 0.3774 0.3316 0.0383 -0.0642 0.0592 156 GLY B CA 1868 C C . GLY B 132 ? 0.4494 0.3985 0.3472 0.0250 -0.0663 0.0573 156 GLY B C 1869 O O . GLY B 132 ? 0.5165 0.4576 0.3992 0.0225 -0.0788 0.0599 156 GLY B O 1870 N N . VAL B 133 ? 0.3858 0.3334 0.2846 0.0170 -0.0544 0.0527 157 VAL B N 1871 C CA . VAL B 133 ? 0.4276 0.3641 0.3064 0.0034 -0.0530 0.0470 157 VAL B CA 1872 C C . VAL B 133 ? 0.4483 0.3854 0.3389 -0.0022 -0.0384 0.0387 157 VAL B C 1873 O O . VAL B 133 ? 0.4094 0.3513 0.3198 0.0052 -0.0290 0.0411 157 VAL B O 1874 C CB . VAL B 133 ? 0.4623 0.3842 0.3161 -0.0011 -0.0527 0.0491 157 VAL B CB 1875 C CG1 . VAL B 133 ? 0.4415 0.3653 0.3048 0.0018 -0.0394 0.0471 157 VAL B CG1 1876 C CG2 . VAL B 133 ? 0.4549 0.3688 0.2816 -0.0163 -0.0529 0.0444 157 VAL B CG2 1877 N N . LEU B 134 ? 0.5062 0.4383 0.3841 -0.0149 -0.0371 0.0288 158 LEU B N 1878 C CA . LEU B 134 ? 0.4807 0.4080 0.3675 -0.0208 -0.0220 0.0170 158 LEU B CA 1879 C C . LEU B 134 ? 0.5167 0.4377 0.3824 -0.0275 -0.0136 0.0104 158 LEU B C 1880 O O . LEU B 134 ? 0.5819 0.4999 0.4173 -0.0371 -0.0203 0.0100 158 LEU B O 1881 C CB . LEU B 134 ? 0.4608 0.3886 0.3497 -0.0322 -0.0238 0.0050 158 LEU B CB 1882 C CG . LEU B 134 ? 0.4637 0.4016 0.3764 -0.0293 -0.0309 0.0099 158 LEU B CG 1883 C CD1 . LEU B 134 ? 0.5180 0.4592 0.4297 -0.0443 -0.0354 -0.0043 158 LEU B CD1 1884 C CD2 . LEU B 134 ? 0.4525 0.3884 0.3960 -0.0205 -0.0186 0.0160 158 LEU B CD2 1885 N N . ILE B 135 ? 0.4633 0.3841 0.3454 -0.0226 0.0008 0.0067 159 ILE B N 1886 C CA . ILE B 135 ? 0.4619 0.3824 0.3305 -0.0293 0.0118 -0.0019 159 ILE B CA 1887 C C . ILE B 135 ? 0.4987 0.4188 0.3909 -0.0269 0.0288 -0.0158 159 ILE B C 1888 O O . ILE B 135 ? 0.5531 0.4718 0.4755 -0.0157 0.0320 -0.0119 159 ILE B O 1889 C CB . ILE B 135 ? 0.4082 0.3339 0.2749 -0.0240 0.0111 0.0084 159 ILE B CB 1890 C CG1 . ILE B 135 ? 0.3708 0.3052 0.2690 -0.0079 0.0128 0.0162 159 ILE B CG1 1891 C CG2 . ILE B 135 ? 0.4311 0.3507 0.2737 -0.0270 -0.0043 0.0199 159 ILE B CG2 1892 C CD1 . ILE B 135 ? 0.4436 0.3873 0.3425 -0.0041 0.0122 0.0222 159 ILE B CD1 1893 N N . GLN B 136 ? 0.5013 0.4224 0.3797 -0.0374 0.0404 -0.0315 160 GLN B N 1894 C CA . GLN B 136 ? 0.4908 0.4128 0.3944 -0.0331 0.0584 -0.0472 160 GLN B CA 1895 C C . GLN B 136 ? 0.5259 0.4616 0.4482 -0.0223 0.0650 -0.0408 160 GLN B C 1896 O O . GLN B 136 ? 0.5550 0.4998 0.4584 -0.0285 0.0631 -0.0355 160 GLN B O 1897 C CB . GLN B 136 ? 0.5050 0.4273 0.3868 -0.0491 0.0700 -0.0706 160 GLN B CB 1898 C CG . GLN B 136 ? 0.5483 0.4710 0.4598 -0.0433 0.0904 -0.0914 160 GLN B CG 1899 C CD . GLN B 136 ? 0.6501 0.5749 0.5384 -0.0601 0.1035 -0.1189 160 GLN B CD 1900 O OE1 . GLN B 136 ? 0.6467 0.5632 0.5161 -0.0721 0.0984 -0.1297 160 GLN B OE1 1901 N NE2 . GLN B 136 ? 0.7376 0.6776 0.6275 -0.0620 0.1207 -0.1320 160 GLN B NE2 1902 N N . MET B 137 ? 0.5380 0.4751 0.4985 -0.0067 0.0720 -0.0402 161 MET B N 1903 C CA . MET B 137 ? 0.5479 0.5036 0.5316 0.0051 0.0772 -0.0353 161 MET B CA 1904 C C . MET B 137 ? 0.5849 0.5434 0.6005 0.0134 0.0945 -0.0519 161 MET B C 1905 O O . MET B 137 ? 0.5912 0.5314 0.6203 0.0157 0.1004 -0.0617 161 MET B O 1906 C CB . MET B 137 ? 0.5167 0.4771 0.5183 0.0206 0.0654 -0.0132 161 MET B CB 1907 C CG . MET B 137 ? 0.5313 0.4919 0.5069 0.0153 0.0499 0.0005 161 MET B CG 1908 S SD . MET B 137 ? 0.5884 0.5598 0.5822 0.0323 0.0387 0.0224 161 MET B SD 1909 C CE . MET B 137 ? 0.3442 0.3440 0.3541 0.0392 0.0417 0.0224 161 MET B CE 1910 N N . GLU B 138 ? 0.6082 0.5903 0.6386 0.0176 0.1029 -0.0564 162 GLU B N 1911 C CA . GLU B 138 ? 0.6176 0.6085 0.6867 0.0301 0.1189 -0.0713 162 GLU B CA 1912 C C . GLU B 138 ? 0.5513 0.5541 0.6592 0.0534 0.1118 -0.0525 162 GLU B C 1913 O O . GLU B 138 ? 0.5062 0.5164 0.6052 0.0559 0.0967 -0.0319 162 GLU B O 1914 C CB . GLU B 138 ? 0.6083 0.6250 0.6726 0.0195 0.1337 -0.0894 162 GLU B CB 1915 C CG . GLU B 138 ? 0.6788 0.6874 0.7007 -0.0045 0.1420 -0.1070 162 GLU B CG 1916 C CD . GLU B 138 ? 0.8048 0.7926 0.8311 -0.0051 0.1525 -0.1286 162 GLU B CD 1917 O OE1 . GLU B 138 ? 0.8784 0.8646 0.9477 0.0121 0.1634 -0.1395 162 GLU B OE1 1918 O OE2 . GLU B 138 ? 0.8208 0.7939 0.8086 -0.0226 0.1491 -0.1349 162 GLU B OE2 1919 N N . LYS B 139 ? 0.5689 0.5739 0.7194 0.0712 0.1222 -0.0596 163 LYS B N 1920 C CA . LYS B 139 ? 0.5617 0.5818 0.7489 0.0947 0.1140 -0.0394 163 LYS B CA 1921 C C . LYS B 139 ? 0.4806 0.5415 0.6662 0.0927 0.1080 -0.0342 163 LYS B C 1922 O O . LYS B 139 ? 0.4504 0.5325 0.6336 0.0818 0.1193 -0.0525 163 LYS B O 1923 C CB . LYS B 139 ? 0.5709 0.5877 0.8083 0.1159 0.1265 -0.0486 163 LYS B CB 1924 C CG . LYS B 139 ? 0.6370 0.6624 0.9104 0.1422 0.1147 -0.0214 163 LYS B CG 1925 C CD . LYS B 139 ? 0.7131 0.7484 1.0420 0.1665 0.1255 -0.0299 163 LYS B CD 1926 C CE . LYS B 139 ? 0.8188 0.8084 1.1691 0.1742 0.1373 -0.0399 163 LYS B CE 1927 N NZ . LYS B 139 ? 0.8943 0.8879 1.3050 0.2049 0.1430 -0.0386 163 LYS B NZ 1928 N N . GLY B 140 ? 0.4299 0.5028 0.6161 0.1012 0.0911 -0.0104 164 GLY B N 1929 C CA . GLY B 140 ? 0.4259 0.5377 0.6129 0.0989 0.0835 -0.0063 164 GLY B CA 1930 C C . GLY B 140 ? 0.4464 0.5561 0.5895 0.0753 0.0781 -0.0082 164 GLY B C 1931 O O . GLY B 140 ? 0.4982 0.6363 0.6400 0.0692 0.0727 -0.0075 164 GLY B O 1932 N N . ASP B 141 ? 0.4419 0.5184 0.5512 0.0618 0.0787 -0.0106 165 ASP B N 1933 C CA . ASP B 141 ? 0.4217 0.4907 0.4906 0.0428 0.0710 -0.0083 165 ASP B CA 1934 C C . ASP B 141 ? 0.4208 0.4913 0.4828 0.0498 0.0537 0.0107 165 ASP B C 1935 O O . ASP B 141 ? 0.4583 0.5199 0.5304 0.0634 0.0482 0.0234 165 ASP B O 1936 C CB . ASP B 141 ? 0.4785 0.5156 0.5153 0.0284 0.0747 -0.0156 165 ASP B CB 1937 C CG . ASP B 141 ? 0.5798 0.6198 0.6064 0.0132 0.0911 -0.0359 165 ASP B CG 1938 O OD1 . ASP B 141 ? 0.5663 0.6326 0.6038 0.0087 0.0992 -0.0433 165 ASP B OD1 1939 O OD2 . ASP B 141 ? 0.6176 0.6365 0.6243 0.0042 0.0961 -0.0452 165 ASP B OD2 1940 N N . ARG B 142 ? 0.3847 0.4658 0.4291 0.0391 0.0463 0.0118 166 ARG B N 1941 C CA . ARG B 142 ? 0.3963 0.4844 0.4344 0.0448 0.0313 0.0248 166 ARG B CA 1942 C C . ARG B 142 ? 0.3529 0.4151 0.3568 0.0338 0.0241 0.0272 166 ARG B C 1943 O O . ARG B 142 ? 0.3906 0.4410 0.3736 0.0177 0.0264 0.0199 166 ARG B O 1944 C CB . ARG B 142 ? 0.4365 0.5590 0.4862 0.0428 0.0268 0.0218 166 ARG B CB 1945 C CG . ARG B 142 ? 0.5097 0.6653 0.5981 0.0558 0.0314 0.0201 166 ARG B CG 1946 C CD . ARG B 142 ? 0.6083 0.8033 0.7092 0.0513 0.0255 0.0153 166 ARG B CD 1947 N NE . ARG B 142 ? 0.7760 1.0049 0.9154 0.0587 0.0334 0.0080 166 ARG B NE 1948 C CZ . ARG B 142 ? 0.9069 1.1775 1.0663 0.0535 0.0311 0.0002 166 ARG B CZ 1949 N NH1 . ARG B 142 ? 0.9298 1.2096 1.0721 0.0393 0.0213 -0.0023 166 ARG B NH1 1950 N NH2 . ARG B 142 ? 0.9368 1.2410 1.1361 0.0625 0.0390 -0.0070 166 ARG B NH2 1951 N N . ALA B 143 ? 0.3231 0.3777 0.3229 0.0430 0.0157 0.0387 167 ALA B N 1952 C CA . ALA B 143 ? 0.3392 0.3742 0.3135 0.0367 0.0080 0.0410 167 ALA B CA 1953 C C . ALA B 143 ? 0.3400 0.3906 0.3126 0.0434 -0.0023 0.0470 167 ALA B C 1954 O O . ALA B 143 ? 0.3365 0.4061 0.3233 0.0559 -0.0046 0.0562 167 ALA B O 1955 C CB . ALA B 143 ? 0.3964 0.4106 0.3674 0.0391 0.0091 0.0454 167 ALA B CB 1956 N N . TYR B 144 ? 0.3625 0.4045 0.3170 0.0349 -0.0082 0.0417 168 TYR B N 1957 C CA . TYR B 144 ? 0.3194 0.3751 0.2704 0.0397 -0.0167 0.0419 168 TYR B CA 1958 C C . TYR B 144 ? 0.3250 0.3580 0.2570 0.0315 -0.0220 0.0353 168 TYR B C 1959 O O . TYR B 144 ? 0.3562 0.3652 0.2766 0.0208 -0.0201 0.0330 168 TYR B O 1960 C CB . TYR B 144 ? 0.2809 0.3683 0.2446 0.0400 -0.0183 0.0375 168 TYR B CB 1961 C CG . TYR B 144 ? 0.3360 0.4220 0.3002 0.0249 -0.0143 0.0262 168 TYR B CG 1962 C CD1 . TYR B 144 ? 0.3993 0.4897 0.3762 0.0214 -0.0047 0.0247 168 TYR B CD1 1963 C CD2 . TYR B 144 ? 0.3974 0.4775 0.3508 0.0132 -0.0187 0.0162 168 TYR B CD2 1964 C CE1 . TYR B 144 ? 0.4379 0.5310 0.4155 0.0054 0.0012 0.0146 168 TYR B CE1 1965 C CE2 . TYR B 144 ? 0.4563 0.5344 0.4106 -0.0036 -0.0137 0.0075 168 TYR B CE2 1966 C CZ . TYR B 144 ? 0.4623 0.5489 0.4281 -0.0080 -0.0034 0.0074 168 TYR B CZ 1967 O OH . TYR B 144 ? 0.5270 0.6154 0.4939 -0.0267 0.0038 -0.0011 168 TYR B OH 1968 N N . LEU B 145 ? 0.3882 0.4292 0.3168 0.0368 -0.0285 0.0323 169 LEU B N 1969 C CA . LEU B 145 ? 0.4052 0.4229 0.3207 0.0328 -0.0339 0.0253 169 LEU B CA 1970 C C . LEU B 145 ? 0.3663 0.3874 0.2805 0.0234 -0.0361 0.0126 169 LEU B C 1971 O O . LEU B 145 ? 0.3685 0.4200 0.2904 0.0257 -0.0375 0.0070 169 LEU B O 1972 C CB . LEU B 145 ? 0.3450 0.3685 0.2602 0.0450 -0.0378 0.0263 169 LEU B CB 1973 C CG . LEU B 145 ? 0.3144 0.3401 0.2347 0.0527 -0.0351 0.0384 169 LEU B CG 1974 C CD1 . LEU B 145 ? 0.2697 0.3067 0.1916 0.0627 -0.0372 0.0378 169 LEU B CD1 1975 C CD2 . LEU B 145 ? 0.3783 0.3764 0.2929 0.0465 -0.0351 0.0422 169 LEU B CD2 1976 N N . LYS B 146 ? 0.3842 0.3741 0.2883 0.0119 -0.0369 0.0087 170 LYS B N 1977 C CA . LYS B 146 ? 0.4701 0.4559 0.3740 -0.0006 -0.0381 -0.0040 170 LYS B CA 1978 C C . LYS B 146 ? 0.5335 0.4840 0.4283 0.0000 -0.0440 -0.0091 170 LYS B C 1979 O O . LYS B 146 ? 0.5839 0.5059 0.4697 0.0034 -0.0464 0.0006 170 LYS B O 1980 C CB . LYS B 146 ? 0.5531 0.5324 0.4562 -0.0185 -0.0313 -0.0028 170 LYS B CB 1981 C CG . LYS B 146 ? 0.6974 0.6890 0.6087 -0.0333 -0.0306 -0.0167 170 LYS B CG 1982 C CD . LYS B 146 ? 0.8650 0.8444 0.7738 -0.0543 -0.0222 -0.0152 170 LYS B CD 1983 C CE . LYS B 146 ? 1.0693 1.0021 0.9633 -0.0682 -0.0242 -0.0160 170 LYS B CE 1984 N NZ . LYS B 146 ? 1.1895 1.1062 1.0757 -0.0913 -0.0148 -0.0105 170 LYS B NZ 1985 N N . LEU B 147 ? 0.5528 0.5060 0.4512 -0.0028 -0.0469 -0.0254 171 LEU B N 1986 C CA . LEU B 147 ? 0.5628 0.4797 0.4573 -0.0011 -0.0517 -0.0333 171 LEU B CA 1987 C C . LEU B 147 ? 0.6285 0.5050 0.5165 -0.0199 -0.0507 -0.0317 171 LEU B C 1988 O O . LEU B 147 ? 0.6180 0.4959 0.5108 -0.0354 -0.0487 -0.0448 171 LEU B O 1989 C CB . LEU B 147 ? 0.5428 0.4791 0.4439 0.0037 -0.0540 -0.0553 171 LEU B CB 1990 C CG . LEU B 147 ? 0.6331 0.5368 0.5353 0.0122 -0.0580 -0.0671 171 LEU B CG 1991 C CD1 . LEU B 147 ? 0.6375 0.5441 0.5411 0.0328 -0.0598 -0.0577 171 LEU B CD1 1992 C CD2 . LEU B 147 ? 0.6763 0.5977 0.5836 0.0105 -0.0582 -0.0947 171 LEU B CD2 1993 N N . GLU B 148 ? 0.7014 0.5433 0.5778 -0.0200 -0.0525 -0.0148 172 GLU B N 1994 C CA . GLU B 148 ? 0.8529 0.6548 0.7181 -0.0389 -0.0509 -0.0068 172 GLU B CA 1995 C C . GLU B 148 ? 0.9143 0.6760 0.7828 -0.0428 -0.0553 -0.0172 172 GLU B C 1996 O O . GLU B 148 ? 0.9767 0.7090 0.8399 -0.0631 -0.0521 -0.0149 172 GLU B O 1997 C CB . GLU B 148 ? 0.9380 0.7155 0.7858 -0.0366 -0.0538 0.0157 172 GLU B CB 1998 C CG . GLU B 148 ? 1.0051 0.8134 0.8481 -0.0365 -0.0482 0.0246 172 GLU B CG 1999 C CD . GLU B 148 ? 1.0885 0.8908 0.9175 -0.0589 -0.0391 0.0328 172 GLU B CD 2000 O OE1 . GLU B 148 ? 1.0398 0.8298 0.8500 -0.0616 -0.0393 0.0476 172 GLU B OE1 2001 O OE2 . GLU B 148 ? 1.1913 1.0046 1.0282 -0.0747 -0.0313 0.0234 172 GLU B OE2 2002 N N . ARG B 149 ? 0.9347 0.6930 0.8127 -0.0241 -0.0613 -0.0289 173 ARG B N 2003 C CA . ARG B 149 ? 1.0048 0.7206 0.8892 -0.0252 -0.0650 -0.0414 173 ARG B CA 2004 C C . ARG B 149 ? 0.9405 0.6754 0.8396 -0.0063 -0.0672 -0.0651 173 ARG B C 2005 O O . ARG B 149 ? 0.8644 0.6354 0.7661 0.0110 -0.0678 -0.0641 173 ARG B O 2006 C CB . ARG B 149 ? 1.1425 0.8040 1.0177 -0.0205 -0.0721 -0.0197 173 ARG B CB 2007 C CG . ARG B 149 ? 1.3242 0.9290 1.2058 -0.0253 -0.0752 -0.0271 173 ARG B CG 2008 C CD . ARG B 149 ? 1.4689 1.0219 1.3425 -0.0156 -0.0850 -0.0015 173 ARG B CD 2009 N NE . ARG B 149 ? 1.5537 1.1203 1.4363 0.0143 -0.0938 0.0013 173 ARG B NE 2010 C CZ . ARG B 149 ? 1.6688 1.1998 1.5514 0.0299 -0.1056 0.0202 173 ARG B CZ 2011 N NH1 . ARG B 149 ? 1.7601 1.2350 1.6304 0.0190 -0.1104 0.0408 173 ARG B NH1 2012 N NH2 . ARG B 149 ? 1.6677 1.2208 1.5634 0.0562 -0.1129 0.0198 173 ARG B NH2 2013 N N . GLY B 150 ? 0.9913 0.7020 0.8998 -0.0112 -0.0672 -0.0875 174 GLY B N 2014 C CA . GLY B 150 ? 0.9729 0.7022 0.8939 0.0043 -0.0674 -0.1151 174 GLY B CA 2015 C C . GLY B 150 ? 0.8679 0.6607 0.7878 -0.0002 -0.0631 -0.1307 174 GLY B C 2016 O O . GLY B 150 ? 0.7883 0.6059 0.7028 -0.0159 -0.0607 -0.1224 174 GLY B O 2017 N N . ASN B 151 ? 0.8447 0.6657 0.7702 0.0143 -0.0623 -0.1529 175 ASN B N 2018 C CA . ASN B 151 ? 0.7816 0.6657 0.7026 0.0126 -0.0598 -0.1650 175 ASN B CA 2019 C C . ASN B 151 ? 0.7172 0.6357 0.6378 0.0354 -0.0580 -0.1664 175 ASN B C 2020 O O . ASN B 151 ? 0.6931 0.5879 0.6214 0.0521 -0.0583 -0.1643 175 ASN B O 2021 C CB . ASN B 151 ? 0.8249 0.7167 0.7489 -0.0025 -0.0594 -0.1991 175 ASN B CB 2022 C CG . ASN B 151 ? 0.8671 0.7308 0.7999 0.0076 -0.0581 -0.2282 175 ASN B CG 2023 O OD1 . ASN B 151 ? 0.8390 0.7283 0.7719 0.0265 -0.0557 -0.2388 175 ASN B OD1 2024 N ND2 . ASN B 151 ? 0.9371 0.7476 0.8787 -0.0054 -0.0587 -0.2419 175 ASN B ND2 2025 N N . LEU B 152 ? 0.6701 0.6460 0.5829 0.0358 -0.0562 -0.1683 176 LEU B N 2026 C CA . LEU B 152 ? 0.6173 0.6310 0.5274 0.0538 -0.0525 -0.1674 176 LEU B CA 2027 C C . LEU B 152 ? 0.6374 0.6900 0.5410 0.0537 -0.0497 -0.1985 176 LEU B C 2028 O O . LEU B 152 ? 0.6021 0.7062 0.4947 0.0585 -0.0473 -0.1944 176 LEU B O 2029 C CB . LEU B 152 ? 0.5956 0.6432 0.4992 0.0559 -0.0520 -0.1377 176 LEU B CB 2030 C CG . LEU B 152 ? 0.5833 0.6000 0.4912 0.0571 -0.0534 -0.1090 176 LEU B CG 2031 C CD1 . LEU B 152 ? 0.5452 0.5953 0.4491 0.0584 -0.0518 -0.0849 176 LEU B CD1 2032 C CD2 . LEU B 152 ? 0.5997 0.5892 0.5164 0.0724 -0.0535 -0.1060 176 LEU B CD2 2033 N N . MET B 153 ? 0.7069 0.7336 0.6159 0.0474 -0.0499 -0.2296 177 MET B N 2034 C CA . MET B 153 ? 0.7381 0.7982 0.6406 0.0478 -0.0464 -0.2654 177 MET B CA 2035 C C . MET B 153 ? 0.7041 0.7824 0.6084 0.0696 -0.0386 -0.2695 177 MET B C 2036 O O . MET B 153 ? 0.7138 0.7587 0.6333 0.0839 -0.0372 -0.2582 177 MET B O 2037 C CB . MET B 153 ? 0.8378 0.8573 0.7500 0.0369 -0.0470 -0.3007 177 MET B CB 2038 C CG . MET B 153 ? 0.8703 0.8804 0.7822 0.0111 -0.0531 -0.3034 177 MET B CG 2039 S SD . MET B 153 ? 2.8966 2.9878 2.7904 -0.0028 -0.0579 -0.3094 177 MET B SD 2040 C CE . MET B 153 ? 0.8333 0.9192 0.7330 -0.0173 -0.0636 -0.2734 177 MET B CE 2041 N N . GLY B 154 ? 0.7019 0.8370 0.5906 0.0715 -0.0337 -0.2851 178 GLY B N 2042 C CA . GLY B 154 ? 0.6843 0.8489 0.5725 0.0893 -0.0239 -0.2865 178 GLY B CA 2043 C C . GLY B 154 ? 0.6247 0.8224 0.5040 0.0931 -0.0233 -0.2465 178 GLY B C 2044 O O . GLY B 154 ? 0.6041 0.8294 0.4833 0.1052 -0.0145 -0.2404 178 GLY B O 2045 N N . GLY B 155 ? 0.6429 0.8370 0.5173 0.0823 -0.0316 -0.2201 179 GLY B N 2046 C CA . GLY B 155 ? 0.6208 0.8410 0.4888 0.0849 -0.0314 -0.1831 179 GLY B CA 2047 C C . GLY B 155 ? 0.5708 0.7562 0.4561 0.0943 -0.0302 -0.1591 179 GLY B C 2048 O O . GLY B 155 ? 0.6312 0.7780 0.5324 0.1013 -0.0299 -0.1700 179 GLY B O 2049 N N . TRP B 156 ? 0.5076 0.7069 0.3904 0.0946 -0.0303 -0.1266 180 TRP B N 2050 C CA . TRP B 156 ? 0.4959 0.6695 0.3933 0.1015 -0.0294 -0.1043 180 TRP B CA 2051 C C . TRP B 156 ? 0.4521 0.6622 0.3463 0.1066 -0.0221 -0.0831 180 TRP B C 2052 O O . TRP B 156 ? 0.4303 0.6331 0.3293 0.1053 -0.0229 -0.0565 180 TRP B O 2053 C CB . TRP B 156 ? 0.4663 0.6054 0.3672 0.0927 -0.0369 -0.0860 180 TRP B CB 2054 C CG . TRP B 156 ? 0.4645 0.6277 0.3560 0.0843 -0.0392 -0.0698 180 TRP B CG 2055 C CD1 . TRP B 156 ? 0.4207 0.5903 0.3142 0.0850 -0.0382 -0.0421 180 TRP B CD1 2056 C CD2 . TRP B 156 ? 0.4910 0.6758 0.3731 0.0749 -0.0437 -0.0813 180 TRP B CD2 2057 N NE1 . TRP B 156 ? 0.4141 0.6069 0.3018 0.0791 -0.0417 -0.0344 180 TRP B NE1 2058 C CE2 . TRP B 156 ? 0.4528 0.6583 0.3334 0.0727 -0.0459 -0.0576 180 TRP B CE2 2059 C CE3 . TRP B 156 ? 0.5669 0.7564 0.4440 0.0680 -0.0465 -0.1108 180 TRP B CE3 2060 C CZ2 . TRP B 156 ? 0.4984 0.7333 0.3739 0.0653 -0.0520 -0.0607 180 TRP B CZ2 2061 C CZ3 . TRP B 156 ? 0.5808 0.8002 0.4508 0.0577 -0.0524 -0.1154 180 TRP B CZ3 2062 C CH2 . TRP B 156 ? 0.5374 0.7812 0.4072 0.0572 -0.0557 -0.0896 180 TRP B CH2 2063 N N . LYS B 157 ? 0.4677 0.7169 0.3538 0.1112 -0.0137 -0.0964 181 LYS B N 2064 C CA . LYS B 157 ? 0.4700 0.7567 0.3515 0.1140 -0.0044 -0.0770 181 LYS B CA 2065 C C . LYS B 157 ? 0.4418 0.7112 0.3456 0.1200 -0.0008 -0.0622 181 LYS B C 2066 O O . LYS B 157 ? 0.4215 0.6620 0.3434 0.1267 -0.0036 -0.0749 181 LYS B O 2067 C CB . LYS B 157 ? 0.5315 0.8627 0.3999 0.1171 0.0059 -0.0990 181 LYS B CB 2068 C CG . LYS B 157 ? 0.5322 0.9067 0.3914 0.1171 0.0174 -0.0781 181 LYS B CG 2069 C CD . LYS B 157 ? 0.5961 1.0185 0.4372 0.1183 0.0287 -0.1023 181 LYS B CD 2070 C CE . LYS B 157 ? 0.6516 1.1181 0.4817 0.1160 0.0422 -0.0792 181 LYS B CE 2071 N NZ . LYS B 157 ? 0.7131 1.2142 0.5379 0.1135 0.0524 -0.1012 181 LYS B NZ 2072 N N . TYR B 158 ? 0.3678 0.6556 0.2706 0.1173 0.0045 -0.0347 182 TYR B N 2073 C CA . TYR B 158 ? 0.3364 0.6138 0.2600 0.1192 0.0078 -0.0184 182 TYR B CA 2074 C C . TYR B 158 ? 0.3710 0.6041 0.3046 0.1158 -0.0027 -0.0054 182 TYR B C 2075 O O . TYR B 158 ? 0.2972 0.5199 0.2469 0.1156 -0.0022 0.0066 182 TYR B O 2076 C CB . TYR B 158 ? 0.3916 0.6757 0.3353 0.1291 0.0134 -0.0387 182 TYR B CB 2077 C CG . TYR B 158 ? 0.4748 0.8065 0.4113 0.1324 0.0272 -0.0544 182 TYR B CG 2078 C CD1 . TYR B 158 ? 0.4293 0.8001 0.3592 0.1268 0.0396 -0.0360 182 TYR B CD1 2079 C CD2 . TYR B 158 ? 0.5072 0.8440 0.4431 0.1402 0.0289 -0.0883 182 TYR B CD2 2080 C CE1 . TYR B 158 ? 0.4224 0.8405 0.3421 0.1281 0.0540 -0.0499 182 TYR B CE1 2081 C CE2 . TYR B 158 ? 0.5494 0.9330 0.4771 0.1428 0.0433 -0.1061 182 TYR B CE2 2082 C CZ . TYR B 158 ? 0.5824 1.0088 0.5004 0.1364 0.0561 -0.0864 182 TYR B CZ 2083 O OH . TYR B 158 ? 0.7020 1.1789 0.6084 0.1372 0.0721 -0.1039 182 TYR B OH 2084 N N . SER B 159 ? 0.3732 0.5838 0.2969 0.1117 -0.0115 -0.0088 183 SER B N 2085 C CA . SER B 159 ? 0.4056 0.5782 0.3350 0.1068 -0.0194 0.0026 183 SER B CA 2086 C C . SER B 159 ? 0.3668 0.5435 0.2973 0.1016 -0.0165 0.0287 183 SER B C 2087 O O . SER B 159 ? 0.2859 0.4899 0.2080 0.1007 -0.0116 0.0402 183 SER B O 2088 C CB . SER B 159 ? 0.3838 0.5369 0.3036 0.1015 -0.0271 -0.0080 183 SER B CB 2089 O OG . SER B 159 ? 0.3997 0.5375 0.3218 0.1053 -0.0301 -0.0317 183 SER B OG 2090 N N . THR B 160 ? 0.3743 0.5226 0.3146 0.0983 -0.0199 0.0378 184 THR B N 2091 C CA . THR B 160 ? 0.3273 0.4726 0.2726 0.0933 -0.0164 0.0590 184 THR B CA 2092 C C . THR B 160 ? 0.3218 0.4352 0.2675 0.0875 -0.0218 0.0620 184 THR B C 2093 O O . THR B 160 ? 0.2797 0.3696 0.2241 0.0860 -0.0282 0.0519 184 THR B O 2094 C CB . THR B 160 ? 0.2767 0.4277 0.2373 0.0926 -0.0111 0.0663 184 THR B CB 2095 O OG1 . THR B 160 ? 0.3190 0.4485 0.2887 0.0932 -0.0181 0.0570 184 THR B OG1 2096 C CG2 . THR B 160 ? 0.2908 0.4778 0.2526 0.0972 -0.0029 0.0627 184 THR B CG2 2097 N N . PHE B 161 ? 0.3435 0.4568 0.2910 0.0847 -0.0187 0.0765 185 PHE B N 2098 C CA . PHE B 161 ? 0.2505 0.3386 0.2005 0.0793 -0.0205 0.0786 185 PHE B CA 2099 C C . PHE B 161 ? 0.4553 0.5415 0.4168 0.0783 -0.0140 0.0953 185 PHE B C 2100 O O . PHE B 161 ? 0.4823 0.5856 0.4454 0.0826 -0.0107 0.1082 185 PHE B O 2101 C CB . PHE B 161 ? 0.5141 0.6045 0.4569 0.0785 -0.0241 0.0722 185 PHE B CB 2102 C CG . PHE B 161 ? 0.3922 0.4616 0.3381 0.0724 -0.0236 0.0719 185 PHE B CG 2103 C CD1 . PHE B 161 ? 0.4354 0.4802 0.3829 0.0667 -0.0227 0.0711 185 PHE B CD1 2104 C CD2 . PHE B 161 ? 0.2497 0.3289 0.1975 0.0718 -0.0240 0.0709 185 PHE B CD2 2105 C CE1 . PHE B 161 ? 0.2518 0.2809 0.1995 0.0601 -0.0203 0.0685 185 PHE B CE1 2106 C CE2 . PHE B 161 ? 0.5085 0.5732 0.4612 0.0661 -0.0212 0.0686 185 PHE B CE2 2107 C CZ . PHE B 161 ? 0.2512 0.2902 0.2024 0.0600 -0.0185 0.0669 185 PHE B CZ 2108 N N . SER B 162 ? 0.3308 0.3953 0.3000 0.0723 -0.0126 0.0951 186 SER B N 2109 C CA . SER B 162 ? 0.2976 0.3543 0.2807 0.0699 -0.0055 0.1079 186 SER B CA 2110 C C . SER B 162 ? 0.3200 0.3500 0.3068 0.0627 -0.0051 0.1004 186 SER B C 2111 O O . SER B 162 ? 0.3179 0.3372 0.2945 0.0580 -0.0107 0.0879 186 SER B O 2112 C CB . SER B 162 ? 0.3720 0.4381 0.3644 0.0672 -0.0011 0.1151 186 SER B CB 2113 O OG . SER B 162 ? 0.4047 0.4683 0.3971 0.0634 -0.0062 0.1027 186 SER B OG 2114 N N . GLY B 163 ? 0.3591 0.3777 0.3597 0.0617 0.0020 0.1081 187 GLY B N 2115 C CA . GLY B 163 ? 0.3724 0.3674 0.3773 0.0545 0.0049 0.0981 187 GLY B CA 2116 C C . GLY B 163 ? 0.3883 0.3694 0.4139 0.0550 0.0141 0.1069 187 GLY B C 2117 O O . GLY B 163 ? 0.4114 0.4002 0.4468 0.0630 0.0173 0.1243 187 GLY B O 2118 N N . PHE B 164 ? 0.3753 0.3348 0.4068 0.0461 0.0182 0.0949 188 PHE B N 2119 C CA . PHE B 164 ? 0.3655 0.3048 0.4196 0.0456 0.0279 0.0991 188 PHE B CA 2120 C C . PHE B 164 ? 0.3915 0.3098 0.4470 0.0369 0.0326 0.0776 188 PHE B C 2121 O O . PHE B 164 ? 0.4354 0.3557 0.4721 0.0277 0.0274 0.0622 188 PHE B O 2122 C CB . PHE B 164 ? 0.3330 0.2697 0.3991 0.0387 0.0307 0.1101 188 PHE B CB 2123 C CG . PHE B 164 ? 0.3899 0.3277 0.4503 0.0242 0.0262 0.0957 188 PHE B CG 2124 C CD1 . PHE B 164 ? 0.4138 0.3750 0.4610 0.0240 0.0173 0.0958 188 PHE B CD1 2125 C CD2 . PHE B 164 ? 0.4045 0.3216 0.4744 0.0114 0.0301 0.0809 188 PHE B CD2 2126 C CE1 . PHE B 164 ? 0.4074 0.3734 0.4529 0.0130 0.0110 0.0840 188 PHE B CE1 2127 C CE2 . PHE B 164 ? 0.4039 0.3276 0.4689 -0.0022 0.0235 0.0679 188 PHE B CE2 2128 C CZ . PHE B 164 ? 0.3943 0.3435 0.4480 -0.0005 0.0132 0.0708 188 PHE B CZ 2129 N N . LEU B 165 ? 0.4421 0.3403 0.5197 0.0405 0.0426 0.0768 189 LEU B N 2130 C CA . LEU B 165 ? 0.4456 0.3236 0.5272 0.0320 0.0500 0.0532 189 LEU B CA 2131 C C . LEU B 165 ? 0.4886 0.3532 0.5723 0.0150 0.0503 0.0432 189 LEU B C 2132 O O . LEU B 165 ? 0.5892 0.4402 0.6940 0.0128 0.0549 0.0537 189 LEU B O 2133 C CB . LEU B 165 ? 0.5044 0.3645 0.6144 0.0439 0.0614 0.0539 189 LEU B CB 2134 C CG . LEU B 165 ? 0.5563 0.3931 0.6761 0.0363 0.0725 0.0263 189 LEU B CG 2135 C CD1 . LEU B 165 ? 0.5937 0.4450 0.6898 0.0308 0.0729 0.0044 189 LEU B CD1 2136 C CD2 . LEU B 165 ? 0.5364 0.3521 0.6927 0.0516 0.0837 0.0306 189 LEU B CD2 2137 N N . VAL B 166 ? 0.4942 0.3637 0.5560 0.0018 0.0449 0.0237 190 VAL B N 2138 C CA . VAL B 166 ? 0.4966 0.3599 0.5593 -0.0157 0.0425 0.0111 190 VAL B CA 2139 C C . VAL B 166 ? 0.5466 0.3815 0.6293 -0.0226 0.0555 -0.0073 190 VAL B C 2140 O O . VAL B 166 ? 0.5798 0.3987 0.6852 -0.0305 0.0601 -0.0060 190 VAL B O 2141 C CB . VAL B 166 ? 0.5204 0.3995 0.5517 -0.0266 0.0307 -0.0030 190 VAL B CB 2142 C CG1 . VAL B 166 ? 0.5345 0.4150 0.5689 -0.0443 0.0251 -0.0149 190 VAL B CG1 2143 C CG2 . VAL B 166 ? 0.4967 0.3981 0.5107 -0.0176 0.0189 0.0133 190 VAL B CG2 2144 N N . PHE B 167 ? 0.5834 0.4119 0.6589 -0.0206 0.0626 -0.0257 191 PHE B N 2145 C CA . PHE B 167 ? 0.6082 0.4087 0.7064 -0.0225 0.0775 -0.0453 191 PHE B CA 2146 C C . PHE B 167 ? 0.6171 0.4201 0.7122 -0.0118 0.0867 -0.0575 191 PHE B C 2147 O O . PHE B 167 ? 0.6223 0.4477 0.6885 -0.0130 0.0814 -0.0603 191 PHE B O 2148 C CB . PHE B 167 ? 0.6068 0.3989 0.6979 -0.0454 0.0776 -0.0733 191 PHE B CB 2149 C CG . PHE B 167 ? 0.5956 0.4121 0.6458 -0.0578 0.0669 -0.0877 191 PHE B CG 2150 C CD1 . PHE B 167 ? 0.6232 0.4446 0.6521 -0.0586 0.0732 -0.1067 191 PHE B CD1 2151 C CD2 . PHE B 167 ? 0.5720 0.4078 0.6061 -0.0686 0.0506 -0.0810 191 PHE B CD2 2152 C CE1 . PHE B 167 ? 0.6296 0.4717 0.6174 -0.0711 0.0631 -0.1158 191 PHE B CE1 2153 C CE2 . PHE B 167 ? 0.5797 0.4361 0.5763 -0.0784 0.0387 -0.0904 191 PHE B CE2 2154 C CZ . PHE B 167 ? 0.6064 0.4644 0.5776 -0.0802 0.0448 -0.1063 191 PHE B CZ 2155 N N . PRO B 168 ? 0.6079 0.3881 0.7355 -0.0009 0.1011 -0.0642 192 PRO B N 2156 C CA . PRO B 168 ? 0.5749 0.3621 0.7068 0.0104 0.1116 -0.0779 192 PRO B CA 2157 C C . PRO B 168 ? 0.5685 0.3556 0.6812 -0.0058 0.1206 -0.1160 192 PRO B C 2158 O O . PRO B 168 ? 0.5599 0.3386 0.6589 -0.0251 0.1179 -0.1322 192 PRO B O 2159 C CB . PRO B 168 ? 0.6085 0.3699 0.7872 0.0295 0.1225 -0.0703 192 PRO B CB 2160 C CG . PRO B 168 ? 0.6493 0.3787 0.8440 0.0187 0.1237 -0.0699 192 PRO B CG 2161 C CD . PRO B 168 ? 0.6317 0.3785 0.7971 0.0025 0.1085 -0.0574 192 PRO B CD 2162 N N . LEU B 169 ? 0.5972 0.3976 0.7093 0.0011 0.1314 -0.1307 193 LEU B N 2163 C CA . LEU B 169 ? 0.6770 0.4818 0.7687 -0.0140 0.1430 -0.1676 193 LEU B CA 2164 C C . LEU B 169 ? 0.7416 0.5420 0.8670 0.0010 0.1636 -0.1879 193 LEU B C 2165 O O . LEU B 169 ? 0.7347 0.5429 0.8882 0.0227 0.1654 -0.1703 193 LEU B O 2166 C CB . LEU B 169 ? 0.6492 0.4855 0.6922 -0.0268 0.1351 -0.1663 193 LEU B CB 2167 C CG . LEU B 169 ? 0.5973 0.4412 0.6059 -0.0400 0.1140 -0.1484 193 LEU B CG 2168 C CD1 . LEU B 169 ? 0.6243 0.4943 0.5916 -0.0473 0.1073 -0.1417 193 LEU B CD1 2169 C CD2 . LEU B 169 ? 0.5678 0.4003 0.5633 -0.0599 0.1107 -0.1689 193 LEU B CD2 2170 N N . GLY B 170 ? 0.8349 0.6259 0.9577 -0.0106 0.1788 -0.2267 194 GLY B N 2171 C CA . GLY B 170 ? 0.9499 0.7373 1.1066 0.0030 0.2010 -0.2531 194 GLY B CA 2172 C C . GLY B 170 ? 1.0221 0.8471 1.1505 -0.0041 0.2113 -0.2712 194 GLY B C 2173 O O . GLY B 170 ? 1.0792 0.9278 1.1596 -0.0207 0.2004 -0.2616 194 GLY B O 2174 N N . THR B 171 ? 1.0062 0.8376 1.1655 0.0082 0.2322 -0.2959 195 THR B N 2175 C CA . THR B 171 ? 0.9838 0.8560 1.1211 0.0011 0.2434 -0.3105 195 THR B CA 2176 C C . THR B 171 ? 1.0969 0.9811 1.1818 -0.0287 0.2465 -0.3365 195 THR B C 2177 O O . THR B 171 ? 1.0736 0.9905 1.1375 -0.0380 0.2565 -0.3485 195 THR B O 2178 C CB . THR B 171 ? 0.9803 0.8652 1.1662 0.0220 0.2570 -0.3202 195 THR B CB 2179 O OG1 . THR B 171 ? 1.0627 0.9210 1.2704 0.0229 0.2631 -0.3414 195 THR B OG1 2180 C CG2 . THR B 171 ? 0.9056 0.7900 1.1394 0.0519 0.2508 -0.2902 195 THR B CG2 2181 N N . LYS B 172 ? 1.1984 1.0593 1.2629 -0.0445 0.2367 -0.3430 196 LYS B N 2182 C CA . LYS B 172 ? 1.3498 1.2259 1.3623 -0.0725 0.2350 -0.3631 196 LYS B CA 2183 C C . LYS B 172 ? 1.3157 1.2128 1.2707 -0.0892 0.2222 -0.3450 196 LYS B C 2184 O O . LYS B 172 ? 1.2817 1.2040 1.1908 -0.1089 0.2221 -0.3526 196 LYS B O 2185 C CB . LYS B 172 ? 1.4741 1.3231 1.4883 -0.0839 0.2273 -0.3765 196 LYS B CB 2186 C CG . LYS B 172 ? 1.5980 1.4306 1.5935 -0.0934 0.2063 -0.3572 196 LYS B CG 2187 C CD . LYS B 172 ? 1.7902 1.6229 1.7565 -0.1179 0.1961 -0.3746 196 LYS B CD 2188 C CE . LYS B 172 ? 1.9836 1.7847 1.9926 -0.1155 0.2001 -0.3898 196 LYS B CE 2189 N NZ . LYS B 172 ? 2.0639 1.8307 2.1203 -0.0972 0.1972 -0.3662 196 LYS B NZ 2190 N N . HIS B 173 ? 1.3232 1.2114 1.2828 -0.0799 0.2071 -0.3127 197 HIS B N 2191 C CA . HIS B 173 ? 1.3133 1.2201 1.2259 -0.0915 0.1878 -0.2833 197 HIS B CA 2192 C C . HIS B 173 ? 1.2428 1.1772 1.1498 -0.0871 0.1964 -0.2724 197 HIS B C 2193 O O . HIS B 173 ? 1.1891 1.1272 1.1407 -0.0667 0.2059 -0.2678 197 HIS B O 2194 C CB . HIS B 173 ? 1.2937 1.1852 1.2185 -0.0819 0.1637 -0.2467 197 HIS B CB 2195 C CG . HIS B 173 ? 1.3261 1.1952 1.2551 -0.0898 0.1538 -0.2542 197 HIS B CG 2196 N ND1 . HIS B 173 ? 1.3382 1.2142 1.2247 -0.1103 0.1372 -0.2542 197 HIS B ND1 2197 C CD2 . HIS B 173 ? 1.3355 1.1763 1.3080 -0.0810 0.1579 -0.2612 197 HIS B CD2 2198 C CE1 . HIS B 173 ? 1.3527 1.2092 1.2579 -0.1148 0.1318 -0.2632 197 HIS B CE1 2199 N NE2 . HIS B 173 ? 1.3505 1.1831 1.3071 -0.0983 0.1450 -0.2672 197 HIS B NE2 2200 N N . HIS B 174 ? 1.2598 1.2144 1.1129 -0.1071 0.1926 -0.2674 198 HIS B N 2201 C CA . HIS B 174 ? 1.2904 1.2706 1.1344 -0.1083 0.2007 -0.2559 198 HIS B CA 2202 C C . HIS B 174 ? 1.3230 1.3000 1.1842 -0.0939 0.1827 -0.2172 198 HIS B C 2203 O O . HIS B 174 ? 1.3207 1.2785 1.1862 -0.0873 0.1624 -0.1974 198 HIS B O 2204 C CB . HIS B 174 ? 1.3180 1.3158 1.0959 -0.1359 0.2008 -0.2573 198 HIS B CB 2205 C CG . HIS B 174 ? 1.4005 1.4092 1.1670 -0.1484 0.2114 -0.2851 198 HIS B CG 2206 N ND1 . HIS B 174 ? 1.4375 1.4402 1.2465 -0.1375 0.2261 -0.3145 198 HIS B ND1 2207 C CD2 . HIS B 174 ? 1.4563 1.4811 1.1761 -0.1696 0.2079 -0.2853 198 HIS B CD2 2208 C CE1 . HIS B 174 ? 1.5061 1.5222 1.2931 -0.1528 0.2322 -0.3344 198 HIS B CE1 2209 N NE2 . HIS B 174 ? 1.5217 1.5528 1.2541 -0.1723 0.2217 -0.3172 198 HIS B NE2 2210 N N . HIS B 175 ? 1.3834 1.3818 1.2552 -0.0901 0.1910 -0.2085 199 HIS B N 2211 C CA . HIS B 175 ? 1.4477 1.4469 1.3341 -0.0786 0.1751 -0.1759 199 HIS B CA 2212 C C . HIS B 175 ? 1.5082 1.5017 1.3447 -0.0946 0.1560 -0.1516 199 HIS B C 2213 O O . HIS B 175 ? 1.5899 1.5892 1.3800 -0.1160 0.1596 -0.1567 199 HIS B O 2214 C CB . HIS B 175 ? 1.5132 1.5409 1.4292 -0.0717 0.1898 -0.1775 199 HIS B CB 2215 C CG . HIS B 175 ? 1.6206 1.6540 1.5963 -0.0484 0.2031 -0.1932 199 HIS B CG 2216 N ND1 . HIS B 175 ? 1.6491 1.7028 1.6686 -0.0305 0.2038 -0.1830 199 HIS B ND1 2217 C CD2 . HIS B 175 ? 1.7103 1.7311 1.7110 -0.0394 0.2154 -0.2183 199 HIS B CD2 2218 C CE1 . HIS B 175 ? 1.6976 1.7511 1.7668 -0.0095 0.2150 -0.1983 199 HIS B CE1 2219 N NE2 . HIS B 175 ? 1.7387 1.7696 1.7983 -0.0144 0.2230 -0.2203 199 HIS B NE2 2220 N N . HIS B 176 ? 1.4711 1.4531 1.3170 -0.0835 0.1359 -0.1250 200 HIS B N 2221 C CA . HIS B 176 ? 1.4076 1.3801 1.2138 -0.0941 0.1164 -0.1018 200 HIS B CA 2222 C C . HIS B 176 ? 1.3171 1.3025 1.1013 -0.1074 0.1214 -0.0922 200 HIS B C 2223 O O . HIS B 176 ? 1.2340 1.2388 1.0438 -0.1044 0.1362 -0.0985 200 HIS B O 2224 C CB . HIS B 176 ? 1.3811 1.3407 1.2079 -0.0774 0.0965 -0.0796 200 HIS B CB 2225 C CG . HIS B 176 ? 1.3058 1.2762 1.1587 -0.0662 0.0959 -0.0663 200 HIS B CG 2226 N ND1 . HIS B 176 ? 1.2378 1.2195 1.1365 -0.0487 0.1042 -0.0711 200 HIS B ND1 2227 C CD2 . HIS B 176 ? 1.2478 1.2198 1.0876 -0.0705 0.0872 -0.0490 200 HIS B CD2 2228 C CE1 . HIS B 176 ? 1.1740 1.1684 1.0852 -0.0435 0.0996 -0.0580 200 HIS B CE1 2229 N NE2 . HIS B 176 ? 1.1756 1.1631 1.0522 -0.0573 0.0902 -0.0461 200 HIS B NE2 2230 N N . HIS B 177 ? 1.3383 1.3131 1.0771 -0.1223 0.1086 -0.0760 201 HIS B N 2231 C CA . HIS B 177 ? 1.3352 1.3140 1.0507 -0.1368 0.1109 -0.0616 201 HIS B CA 2232 C C . HIS B 177 ? 1.3229 1.2866 1.0480 -0.1270 0.0915 -0.0369 201 HIS B C 2233 O O . HIS B 177 ? 1.3589 1.3030 1.0655 -0.1243 0.0715 -0.0217 201 HIS B O 2234 C CB . HIS B 177 ? 1.3669 1.3407 1.0236 -0.1602 0.1096 -0.0568 201 HIS B CB 2235 C CG . HIS B 177 ? 1.3923 1.3816 1.0321 -0.1716 0.1271 -0.0836 201 HIS B CG 2236 N ND1 . HIS B 177 ? 1.3777 1.3842 1.0555 -0.1630 0.1477 -0.1119 201 HIS B ND1 2237 C CD2 . HIS B 177 ? 1.4168 1.4076 1.0094 -0.1893 0.1256 -0.0870 201 HIS B CD2 2238 C CE1 . HIS B 177 ? 1.4135 1.4302 1.0652 -0.1767 0.1611 -0.1353 201 HIS B CE1 2239 N NE2 . HIS B 177 ? 1.4399 1.4491 1.0458 -0.1910 0.1449 -0.1186 201 HIS B NE2 2240 N N . HIS B 178 ? 1.2624 1.2379 1.0183 -0.1211 0.0972 -0.0350 202 HIS B N 2241 C CA . HIS B 178 ? 1.1670 1.1301 0.9286 -0.1155 0.0814 -0.0154 202 HIS B CA 2242 C C . HIS B 178 ? 1.1140 1.0963 0.8991 -0.1196 0.0920 -0.0174 202 HIS B C 2243 O O . HIS B 178 ? 1.0938 1.0655 0.8706 -0.1270 0.0845 -0.0040 202 HIS B O 2244 C CB . HIS B 178 ? 1.0966 1.0526 0.8850 -0.0926 0.0662 -0.0109 202 HIS B CB 2245 C CG . HIS B 178 ? 1.0210 0.9612 0.8067 -0.0875 0.0484 0.0070 202 HIS B CG 2246 N ND1 . HIS B 178 ? 0.8988 0.8488 0.7131 -0.0779 0.0461 0.0092 202 HIS B ND1 2247 C CD2 . HIS B 178 ? 1.0264 0.9428 0.7851 -0.0901 0.0322 0.0220 202 HIS B CD2 2248 C CE1 . HIS B 178 ? 0.9201 0.8515 0.7246 -0.0756 0.0308 0.0222 202 HIS B CE1 2249 N NE2 . HIS B 178 ? 0.9906 0.9004 0.7636 -0.0817 0.0222 0.0308 202 HIS B NE2 2250 N N . SER C 35 ? 1.2855 0.8995 1.2419 0.0375 -0.0544 -0.2846 59 SER C N 2251 C CA . SER C 35 ? 1.2424 0.8898 1.2013 0.0469 -0.0482 -0.2727 59 SER C CA 2252 C C . SER C 35 ? 1.2634 0.9121 1.2263 0.0332 -0.0503 -0.2517 59 SER C C 2253 O O . SER C 35 ? 1.2593 0.9271 1.2164 0.0174 -0.0507 -0.2503 59 SER C O 2254 C CB . SER C 35 ? 1.1702 0.8631 1.1185 0.0507 -0.0412 -0.2843 59 SER C CB 2255 O OG . SER C 35 ? 1.0862 0.8106 1.0402 0.0579 -0.0353 -0.2729 59 SER C OG 2256 N N . ALA C 36 ? 1.2898 0.9191 1.2623 0.0408 -0.0520 -0.2354 60 ALA C N 2257 C CA . ALA C 36 ? 1.2303 0.8592 1.2057 0.0315 -0.0540 -0.2150 60 ALA C CA 2258 C C . ALA C 36 ? 1.1646 0.8301 1.1393 0.0421 -0.0498 -0.2093 60 ALA C C 2259 O O . ALA C 36 ? 1.1920 0.8585 1.1675 0.0400 -0.0518 -0.1933 60 ALA C O 2260 C CB . ALA C 36 ? 1.2776 0.8628 1.2610 0.0344 -0.0591 -0.1982 60 ALA C CB 2261 N N . LYS C 37 ? 1.0707 0.7658 1.0445 0.0534 -0.0441 -0.2225 61 LYS C N 2262 C CA . LYS C 37 ? 0.9456 0.6776 0.9231 0.0618 -0.0397 -0.2186 61 LYS C CA 2263 C C . LYS C 37 ? 0.8927 0.6591 0.8629 0.0493 -0.0342 -0.2229 61 LYS C C 2264 O O . LYS C 37 ? 0.9439 0.7284 0.9090 0.0503 -0.0292 -0.2367 61 LYS C O 2265 C CB . LYS C 37 ? 0.8798 0.6252 0.8663 0.0818 -0.0365 -0.2282 61 LYS C CB 2266 C CG . LYS C 37 ? 0.8648 0.5790 0.8589 0.0970 -0.0427 -0.2231 61 LYS C CG 2267 C CD . LYS C 37 ? 0.8457 0.5752 0.8505 0.1168 -0.0400 -0.2349 61 LYS C CD 2268 C CE . LYS C 37 ? 0.8439 0.5457 0.8568 0.1338 -0.0474 -0.2277 61 LYS C CE 2269 N NZ . LYS C 37 ? 0.8078 0.5335 0.8353 0.1543 -0.0459 -0.2366 61 LYS C NZ 2270 N N . VAL C 38 ? 0.7987 0.5738 0.7677 0.0391 -0.0353 -0.2107 62 VAL C N 2271 C CA . VAL C 38 ? 0.6985 0.5054 0.6614 0.0277 -0.0306 -0.2121 62 VAL C CA 2272 C C . VAL C 38 ? 0.6215 0.4467 0.5893 0.0275 -0.0293 -0.1983 62 VAL C C 2273 O O . VAL C 38 ? 0.5830 0.3939 0.5501 0.0238 -0.0332 -0.1809 62 VAL C O 2274 C CB . VAL C 38 ? 0.6627 0.4594 0.6174 0.0091 -0.0349 -0.2131 62 VAL C CB 2275 C CG1 . VAL C 38 ? 0.6235 0.4554 0.5717 -0.0011 -0.0309 -0.2130 62 VAL C CG1 2276 C CG2 . VAL C 38 ? 0.7474 0.5262 0.6966 0.0087 -0.0373 -0.2277 62 VAL C CG2 2277 N N . ALA C 39 ? 0.5394 0.3989 0.5111 0.0305 -0.0220 -0.2004 63 ALA C N 2278 C CA . ALA C 39 ? 0.4816 0.3604 0.4593 0.0296 -0.0201 -0.1844 63 ALA C CA 2279 C C . ALA C 39 ? 0.5233 0.4385 0.5048 0.0267 -0.0108 -0.1861 63 ALA C C 2280 O O . ALA C 39 ? 0.5696 0.4993 0.5536 0.0323 -0.0047 -0.2000 63 ALA C O 2281 C CB . ALA C 39 ? 0.4448 0.3157 0.4341 0.0446 -0.0249 -0.1822 63 ALA C CB 2282 N N . PHE C 40 ? 0.5015 0.4311 0.4837 0.0188 -0.0091 -0.1711 64 PHE C N 2283 C CA . PHE C 40 ? 0.5313 0.4922 0.5192 0.0151 -0.0002 -0.1680 64 PHE C CA 2284 C C . PHE C 40 ? 0.5361 0.5042 0.5356 0.0141 -0.0015 -0.1546 64 PHE C C 2285 O O . PHE C 40 ? 0.5657 0.5180 0.5612 0.0138 -0.0087 -0.1462 64 PHE C O 2286 C CB . PHE C 40 ? 0.5622 0.5338 0.5339 0.0037 0.0037 -0.1651 64 PHE C CB 2287 C CG . PHE C 40 ? 0.6066 0.5744 0.5722 -0.0059 -0.0002 -0.1491 64 PHE C CG 2288 C CD1 . PHE C 40 ? 0.6686 0.6154 0.6264 -0.0106 -0.0076 -0.1468 64 PHE C CD1 2289 C CD2 . PHE C 40 ? 0.6236 0.6092 0.5936 -0.0098 0.0041 -0.1359 64 PHE C CD2 2290 C CE1 . PHE C 40 ? 0.6871 0.6353 0.6415 -0.0182 -0.0097 -0.1321 64 PHE C CE1 2291 C CE2 . PHE C 40 ? 0.6291 0.6122 0.5942 -0.0160 0.0008 -0.1224 64 PHE C CE2 2292 C CZ . PHE C 40 ? 0.6683 0.6351 0.6256 -0.0197 -0.0057 -0.1208 64 PHE C CZ 2293 N N . SER C 41 ? 0.4971 0.4896 0.5113 0.0134 0.0057 -0.1529 65 SER C N 2294 C CA . SER C 41 ? 0.4196 0.4183 0.4486 0.0117 0.0037 -0.1431 65 SER C CA 2295 C C . SER C 41 ? 0.3644 0.3884 0.4045 0.0045 0.0145 -0.1363 65 SER C C 2296 O O . SER C 41 ? 0.3964 0.4398 0.4469 0.0065 0.0235 -0.1421 65 SER C O 2297 C CB . SER C 41 ? 0.4230 0.4191 0.4709 0.0225 -0.0035 -0.1504 65 SER C CB 2298 O OG . SER C 41 ? 0.4861 0.4758 0.5387 0.0228 -0.0116 -0.1436 65 SER C OG 2299 N N . ALA C 42 ? 0.3426 0.3665 0.3805 -0.0029 0.0145 -0.1229 66 ALA C N 2300 C CA . ALA C 42 ? 0.3782 0.4216 0.4253 -0.0103 0.0247 -0.1121 66 ALA C CA 2301 C C . ALA C 42 ? 0.3777 0.4158 0.4412 -0.0136 0.0204 -0.1027 66 ALA C C 2302 O O . ALA C 42 ? 0.4489 0.4692 0.5057 -0.0107 0.0104 -0.1024 66 ALA C O 2303 C CB . ALA C 42 ? 0.3871 0.4363 0.4101 -0.0158 0.0302 -0.1043 66 ALA C CB 2304 N N . ILE C 43 ? 0.3425 0.3958 0.4280 -0.0193 0.0284 -0.0953 67 ILE C N 2305 C CA . ILE C 43 ? 0.3281 0.3739 0.4330 -0.0234 0.0240 -0.0877 67 ILE C CA 2306 C C . ILE C 43 ? 0.3449 0.4014 0.4571 -0.0327 0.0358 -0.0697 67 ILE C C 2307 O O . ILE C 43 ? 0.3763 0.4534 0.4871 -0.0358 0.0490 -0.0641 67 ILE C O 2308 C CB . ILE C 43 ? 0.3217 0.3707 0.4594 -0.0215 0.0176 -0.0987 67 ILE C CB 2309 C CG1 . ILE C 43 ? 0.3963 0.4725 0.5611 -0.0269 0.0306 -0.0969 67 ILE C CG1 2310 C CG2 . ILE C 43 ? 0.3489 0.3885 0.4775 -0.0101 0.0062 -0.1144 67 ILE C CG2 2311 C CD1 . ILE C 43 ? 0.4943 0.5799 0.6977 -0.0262 0.0240 -0.1079 67 ILE C CD1 2312 N N . ARG C 44 ? 0.3659 0.4079 0.4849 -0.0356 0.0311 -0.0604 68 ARG C N 2313 C CA . ARG C 44 ? 0.4178 0.4644 0.5495 -0.0441 0.0408 -0.0413 68 ARG C CA 2314 C C . ARG C 44 ? 0.4698 0.5178 0.6438 -0.0507 0.0403 -0.0431 68 ARG C C 2315 O O . ARG C 44 ? 0.4804 0.5103 0.6694 -0.0494 0.0273 -0.0517 68 ARG C O 2316 C CB . ARG C 44 ? 0.4188 0.4468 0.5361 -0.0424 0.0356 -0.0300 68 ARG C CB 2317 C CG . ARG C 44 ? 0.4636 0.4926 0.5920 -0.0495 0.0452 -0.0074 68 ARG C CG 2318 C CD . ARG C 44 ? 0.4873 0.5404 0.5972 -0.0518 0.0599 0.0062 68 ARG C CD 2319 N NE . ARG C 44 ? 0.5688 0.6220 0.6820 -0.0564 0.0688 0.0318 68 ARG C NE 2320 C CZ . ARG C 44 ? 0.6211 0.6960 0.7185 -0.0580 0.0826 0.0483 68 ARG C CZ 2321 N NH1 . ARG C 44 ? 0.6136 0.7118 0.6911 -0.0552 0.0884 0.0387 68 ARG C NH1 2322 N NH2 . ARG C 44 ? 0.7035 0.7760 0.8037 -0.0610 0.0902 0.0744 68 ARG C NH2 2323 N N . SER C 45 ? 0.4660 0.5376 0.6599 -0.0579 0.0544 -0.0358 69 SER C N 2324 C CA . SER C 45 ? 0.4456 0.5257 0.6855 -0.0656 0.0545 -0.0396 69 SER C CA 2325 C C . SER C 45 ? 0.4768 0.5525 0.7459 -0.0787 0.0620 -0.0193 69 SER C C 2326 O O . SER C 45 ? 0.4649 0.5504 0.7777 -0.0884 0.0639 -0.0198 69 SER C O 2327 C CB . SER C 45 ? 0.4467 0.5597 0.6977 -0.0651 0.0664 -0.0451 69 SER C CB 2328 O OG . SER C 45 ? 0.4525 0.5859 0.6899 -0.0686 0.0861 -0.0269 69 SER C OG 2329 N N . THR C 46 ? 0.5376 0.5988 0.7857 -0.0792 0.0656 -0.0008 70 THR C N 2330 C CA . THR C 46 ? 0.5501 0.6048 0.8234 -0.0908 0.0746 0.0229 70 THR C CA 2331 C C . THR C 46 ? 0.5799 0.6022 0.8392 -0.0874 0.0665 0.0331 70 THR C C 2332 O O . THR C 46 ? 0.6451 0.6588 0.8673 -0.0761 0.0594 0.0286 70 THR C O 2333 C CB . THR C 46 ? 0.5626 0.6456 0.8275 -0.0956 0.0975 0.0466 70 THR C CB 2334 O OG1 . THR C 46 ? 0.6071 0.6911 0.8228 -0.0857 0.0995 0.0536 70 THR C OG1 2335 C CG2 . THR C 46 ? 0.5556 0.6742 0.8336 -0.0967 0.1080 0.0367 70 THR C CG2 2336 N N . ASN C 47 ? 0.5756 0.5806 0.8682 -0.0975 0.0677 0.0473 71 ASN C N 2337 C CA . ASN C 47 ? 0.6157 0.5888 0.9009 -0.0939 0.0618 0.0598 71 ASN C CA 2338 C C . ASN C 47 ? 0.6625 0.6430 0.9156 -0.0901 0.0750 0.0879 71 ASN C C 2339 O O . ASN C 47 ? 0.6824 0.6396 0.9242 -0.0838 0.0701 0.0993 71 ASN C O 2340 C CB . ASN C 47 ? 0.6941 0.6434 1.0282 -0.1067 0.0592 0.0667 71 ASN C CB 2341 C CG . ASN C 47 ? 0.8036 0.7450 1.1702 -0.1098 0.0425 0.0370 71 ASN C CG 2342 O OD1 . ASN C 47 ? 0.8235 0.7401 1.1825 -0.1000 0.0243 0.0171 71 ASN C OD1 2343 N ND2 . ASN C 47 ? 0.8488 0.8144 1.2514 -0.1222 0.0485 0.0334 71 ASN C ND2 2344 N N . HIS C 48 ? 0.6608 0.6748 0.8997 -0.0925 0.0912 0.0986 72 HIS C N 2345 C CA . HIS C 48 ? 0.6855 0.7121 0.8950 -0.0895 0.1047 0.1267 72 HIS C CA 2346 C C . HIS C 48 ? 0.6924 0.7056 0.8637 -0.0756 0.0938 0.1271 72 HIS C C 2347 O O . HIS C 48 ? 0.6574 0.6665 0.8120 -0.0672 0.0805 0.1035 72 HIS C O 2348 C CB . HIS C 48 ? 0.7283 0.7956 0.9176 -0.0892 0.1197 0.1271 72 HIS C CB 2349 C CG . HIS C 48 ? 0.8051 0.8936 1.0303 -0.1022 0.1368 0.1374 72 HIS C CG 2350 N ND1 . HIS C 48 ? 0.7866 0.8903 1.0383 -0.1065 0.1360 0.1151 72 HIS C ND1 2351 C CD2 . HIS C 48 ? 0.9059 1.0052 1.1471 -0.1116 0.1557 0.1691 72 HIS C CD2 2352 C CE1 . HIS C 48 ? 0.8538 0.9793 1.1386 -0.1185 0.1538 0.1315 72 HIS C CE1 2353 N NE2 . HIS C 48 ? 0.9282 1.0510 1.2071 -0.1224 0.1669 0.1652 72 HIS C NE2 2354 N N . GLU C 49 ? 0.6886 0.6968 0.8481 -0.0729 0.1000 0.1557 73 GLU C N 2355 C CA . GLU C 49 ? 0.6522 0.6489 0.7823 -0.0594 0.0895 0.1593 73 GLU C CA 2356 C C . GLU C 49 ? 0.6535 0.6801 0.7397 -0.0509 0.0892 0.1530 73 GLU C C 2357 O O . GLU C 49 ? 0.6257 0.6810 0.6995 -0.0544 0.1000 0.1521 73 GLU C O 2358 C CB . GLU C 49 ? 0.6786 0.6598 0.8128 -0.0581 0.0953 0.1936 73 GLU C CB 2359 C CG . GLU C 49 ? 0.7334 0.6777 0.9126 -0.0662 0.0929 0.1993 73 GLU C CG 2360 C CD . GLU C 49 ? 0.7541 0.6676 0.9426 -0.0582 0.0735 0.1742 73 GLU C CD 2361 O OE1 . GLU C 49 ? 0.7931 0.7121 0.9516 -0.0447 0.0639 0.1619 73 GLU C OE1 2362 O OE2 . GLU C 49 ? 0.7469 0.6323 0.9733 -0.0655 0.0679 0.1662 73 GLU C OE2 2363 N N . PRO C 50 ? 0.6794 0.7001 0.7436 -0.0395 0.0766 0.1474 74 PRO C N 2364 C CA . PRO C 50 ? 0.6676 0.7151 0.6935 -0.0324 0.0738 0.1420 74 PRO C CA 2365 C C . PRO C 50 ? 0.7419 0.8148 0.7431 -0.0307 0.0851 0.1667 74 PRO C C 2366 O O . PRO C 50 ? 0.8337 0.8983 0.8388 -0.0286 0.0901 0.1949 74 PRO C O 2367 C CB . PRO C 50 ? 0.6128 0.6469 0.6312 -0.0214 0.0594 0.1388 74 PRO C CB 2368 C CG . PRO C 50 ? 0.6119 0.6137 0.6608 -0.0221 0.0531 0.1286 74 PRO C CG 2369 C CD . PRO C 50 ? 0.6569 0.6466 0.7343 -0.0325 0.0635 0.1423 74 PRO C CD 2370 N N . SER C 51 ? 0.7411 0.8437 0.7163 -0.0306 0.0885 0.1559 75 SER C N 2371 C CA . SER C 51 ? 0.8160 0.9474 0.7599 -0.0264 0.0974 0.1749 75 SER C CA 2372 C C . SER C 51 ? 0.8178 0.9543 0.7370 -0.0151 0.0856 0.1854 75 SER C C 2373 O O . SER C 51 ? 0.7444 0.8677 0.6688 -0.0112 0.0713 0.1727 75 SER C O 2374 C CB . SER C 51 ? 0.8687 1.0290 0.7905 -0.0274 0.1018 0.1544 75 SER C CB 2375 O OG . SER C 51 ? 0.8257 0.9840 0.7387 -0.0255 0.0867 0.1252 75 SER C OG 2376 N N . GLU C 52 ? 0.8928 1.0512 0.7853 -0.0091 0.0920 0.2093 76 GLU C N 2377 C CA . GLU C 52 ? 0.9963 1.1663 0.8639 0.0029 0.0798 0.2196 76 GLU C CA 2378 C C . GLU C 52 ? 0.9312 1.1197 0.7800 0.0045 0.0653 0.1889 76 GLU C C 2379 O O . GLU C 52 ? 0.9664 1.1589 0.8091 0.0115 0.0506 0.1867 76 GLU C O 2380 C CB . GLU C 52 ? 1.1375 1.3321 0.9750 0.0101 0.0893 0.2501 76 GLU C CB 2381 C CG . GLU C 52 ? 1.2241 1.4304 1.0392 0.0243 0.0756 0.2652 76 GLU C CG 2382 C CD . GLU C 52 ? 1.2790 1.5231 1.0568 0.0297 0.0642 0.2462 76 GLU C CD 2383 O OE1 . GLU C 52 ? 1.2911 1.5612 1.0415 0.0291 0.0733 0.2435 76 GLU C OE1 2384 O OE2 . GLU C 52 ? 1.2755 1.5243 1.0525 0.0344 0.0462 0.2330 76 GLU C OE2 2385 N N . MET C 53 ? 0.8257 1.0256 0.6680 -0.0023 0.0698 0.1656 77 MET C N 2386 C CA . MET C 53 ? 0.7509 0.9627 0.5798 -0.0032 0.0569 0.1348 77 MET C CA 2387 C C . MET C 53 ? 0.7331 0.9200 0.5884 -0.0064 0.0456 0.1189 77 MET C C 2388 O O . MET C 53 ? 0.6959 0.8902 0.5450 -0.0047 0.0317 0.1061 77 MET C O 2389 C CB . MET C 53 ? 0.7445 0.9679 0.5644 -0.0084 0.0655 0.1140 77 MET C CB 2390 C CG . MET C 53 ? 0.7634 0.9932 0.5723 -0.0104 0.0526 0.0811 77 MET C CG 2391 S SD . MET C 53 ? 1.9554 2.1980 1.7515 -0.0126 0.0630 0.0568 77 MET C SD 2392 C CE . MET C 53 ? 2.0897 2.3072 1.9263 -0.0195 0.0766 0.0589 77 MET C CE 2393 N N . SER C 54 ? 0.8213 0.9809 0.7063 -0.0110 0.0517 0.1197 78 SER C N 2394 C CA . SER C 54 ? 0.8699 1.0061 0.7774 -0.0119 0.0424 0.1058 78 SER C CA 2395 C C . SER C 54 ? 0.9308 1.0636 0.8402 -0.0030 0.0329 0.1194 78 SER C C 2396 O O . SER C 54 ? 0.9266 1.0600 0.8387 -0.0008 0.0221 0.1068 78 SER C O 2397 C CB . SER C 54 ? 0.9077 1.0172 0.8454 -0.0171 0.0496 0.1048 78 SER C CB 2398 O OG . SER C 54 ? 0.9602 1.0775 0.8995 -0.0240 0.0605 0.0975 78 SER C OG 2399 N N . ASN C 55 ? 0.9874 1.1176 0.8968 0.0029 0.0377 0.1467 79 ASN C N 2400 C CA . ASN C 55 ? 1.0214 1.1500 0.9319 0.0144 0.0292 0.1626 79 ASN C CA 2401 C C . ASN C 55 ? 0.8843 1.0454 0.7720 0.0193 0.0175 0.1568 79 ASN C C 2402 O O . ASN C 55 ? 0.8246 0.9895 0.7182 0.0275 0.0071 0.1582 79 ASN C O 2403 C CB . ASN C 55 ? 1.2115 1.3326 1.1219 0.0202 0.0373 0.1957 79 ASN C CB 2404 C CG . ASN C 55 ? 1.3637 1.4453 1.3067 0.0189 0.0423 0.2036 79 ASN C CG 2405 O OD1 . ASN C 55 ? 1.2680 1.3292 1.2310 0.0185 0.0364 0.1854 79 ASN C OD1 2406 N ND2 . ASN C 55 ? 1.5670 1.6379 1.5152 0.0182 0.0531 0.2312 79 ASN C ND2 2407 N N . ARG C 56 ? 0.8534 1.0395 0.7168 0.0146 0.0188 0.1491 80 ARG C N 2408 C CA . ARG C 56 ? 0.8264 1.0453 0.6679 0.0176 0.0061 0.1411 80 ARG C CA 2409 C C . ARG C 56 ? 0.7609 0.9820 0.6106 0.0094 -0.0034 0.1114 80 ARG C C 2410 O O . ARG C 56 ? 0.7451 0.9798 0.5995 0.0122 -0.0157 0.1076 80 ARG C O 2411 C CB . ARG C 56 ? 0.8372 1.0814 0.6463 0.0174 0.0110 0.1438 80 ARG C CB 2412 C CG . ARG C 56 ? 0.8938 1.1686 0.6770 0.0290 0.0023 0.1616 80 ARG C CG 2413 C CD . ARG C 56 ? 0.9732 1.2759 0.7192 0.0303 0.0067 0.1605 80 ARG C CD 2414 N NE . ARG C 56 ? 1.0152 1.3196 0.7561 0.0199 0.0082 0.1285 80 ARG C NE 2415 C CZ . ARG C 56 ? 1.0543 1.3540 0.7895 0.0158 0.0243 0.1246 80 ARG C CZ 2416 N NH1 . ARG C 56 ? 1.0557 1.3504 0.7908 0.0187 0.0415 0.1517 80 ARG C NH1 2417 N NH2 . ARG C 56 ? 1.0485 1.3492 0.7804 0.0087 0.0234 0.0938 80 ARG C NH2 2418 N N . THR C 57 ? 0.7163 0.9248 0.5693 -0.0003 0.0028 0.0920 81 THR C N 2419 C CA . THR C 57 ? 0.6505 0.8584 0.5091 -0.0086 -0.0050 0.0654 81 THR C CA 2420 C C . THR C 57 ? 0.6086 0.7916 0.4940 -0.0101 -0.0054 0.0599 81 THR C C 2421 O O . THR C 57 ? 0.5442 0.7281 0.4367 -0.0153 -0.0126 0.0443 81 THR C O 2422 C CB . THR C 57 ? 0.6660 0.8717 0.5141 -0.0161 0.0010 0.0461 81 THR C CB 2423 O OG1 . THR C 57 ? 0.6958 0.8774 0.5593 -0.0178 0.0135 0.0482 81 THR C OG1 2424 C CG2 . THR C 57 ? 0.7026 0.9345 0.5202 -0.0127 0.0029 0.0494 81 THR C CG2 2425 N N . MET C 58 ? 0.5952 0.7560 0.4953 -0.0055 0.0023 0.0727 82 MET C N 2426 C CA . MET C 58 ? 0.5436 0.6801 0.4659 -0.0044 0.0021 0.0669 82 MET C CA 2427 C C . MET C 58 ? 0.4669 0.5897 0.3945 -0.0128 0.0040 0.0453 82 MET C C 2428 O O . MET C 58 ? 0.4824 0.5908 0.4227 -0.0118 0.0017 0.0372 82 MET C O 2429 C CB . MET C 58 ? 0.5572 0.7040 0.4865 0.0016 -0.0071 0.0683 82 MET C CB 2430 C CG . MET C 58 ? 0.5991 0.7592 0.5265 0.0130 -0.0105 0.0896 82 MET C CG 2431 S SD . MET C 58 ? 2.7795 2.9123 2.7156 0.0217 -0.0019 0.1113 82 MET C SD 2432 C CE . MET C 58 ? 1.0292 1.1268 0.9875 0.0199 0.0017 0.0959 82 MET C CE 2433 N N . ILE C 59 ? 0.4276 0.5555 0.3440 -0.0191 0.0084 0.0365 83 ILE C N 2434 C CA . ILE C 59 ? 0.4345 0.5489 0.3561 -0.0250 0.0102 0.0171 83 ILE C CA 2435 C C . ILE C 59 ? 0.4618 0.5578 0.3987 -0.0246 0.0189 0.0194 83 ILE C C 2436 O O . ILE C 59 ? 0.5520 0.6517 0.4896 -0.0239 0.0268 0.0333 83 ILE C O 2437 C CB . ILE C 59 ? 0.4214 0.5503 0.3253 -0.0302 0.0100 0.0029 83 ILE C CB 2438 C CG1 . ILE C 59 ? 0.5001 0.6448 0.3942 -0.0331 -0.0015 -0.0040 83 ILE C CG1 2439 C CG2 . ILE C 59 ? 0.3466 0.4593 0.2575 -0.0338 0.0129 -0.0154 83 ILE C CG2 2440 C CD1 . ILE C 59 ? 0.5585 0.7186 0.4328 -0.0370 -0.0043 -0.0189 83 ILE C CD1 2441 N N . ILE C 60 ? 0.4369 0.5144 0.3871 -0.0253 0.0172 0.0067 84 ILE C N 2442 C CA . ILE C 60 ? 0.4107 0.4726 0.3789 -0.0257 0.0226 0.0052 84 ILE C CA 2443 C C . ILE C 60 ? 0.5075 0.5764 0.4734 -0.0301 0.0286 -0.0064 84 ILE C C 2444 O O . ILE C 60 ? 0.5384 0.6062 0.4978 -0.0312 0.0247 -0.0225 84 ILE C O 2445 C CB . ILE C 60 ? 0.3168 0.3581 0.2982 -0.0220 0.0164 -0.0042 84 ILE C CB 2446 C CG1 . ILE C 60 ? 0.4044 0.4401 0.3885 -0.0151 0.0120 0.0063 84 ILE C CG1 2447 C CG2 . ILE C 60 ? 0.2909 0.3190 0.2925 -0.0231 0.0193 -0.0095 84 ILE C CG2 2448 C CD1 . ILE C 60 ? 0.4876 0.5107 0.4752 -0.0093 0.0057 -0.0036 84 ILE C CD1 2449 N N . TYR C 61 ? 0.5055 0.5817 0.4782 -0.0322 0.0387 0.0027 85 TYR C N 2450 C CA . TYR C 61 ? 0.5302 0.6193 0.5009 -0.0345 0.0469 -0.0065 85 TYR C CA 2451 C C . TYR C 61 ? 0.4735 0.5531 0.4712 -0.0361 0.0500 -0.0143 85 TYR C C 2452 O O . TYR C 61 ? 0.3922 0.4602 0.4120 -0.0376 0.0501 -0.0059 85 TYR C O 2453 C CB . TYR C 61 ? 0.6398 0.7509 0.5989 -0.0353 0.0585 0.0098 85 TYR C CB 2454 C CG . TYR C 61 ? 0.7920 0.9183 0.7216 -0.0325 0.0540 0.0149 85 TYR C CG 2455 C CD1 . TYR C 61 ? 0.8446 0.9840 0.7521 -0.0317 0.0506 -0.0021 85 TYR C CD1 2456 C CD2 . TYR C 61 ? 0.8488 0.9763 0.7740 -0.0301 0.0519 0.0358 85 TYR C CD2 2457 C CE1 . TYR C 61 ? 0.9103 1.0657 0.7926 -0.0298 0.0441 0.0003 85 TYR C CE1 2458 C CE2 . TYR C 61 ? 0.8919 1.0372 0.7918 -0.0267 0.0459 0.0401 85 TYR C CE2 2459 C CZ . TYR C 61 ? 0.9370 1.0973 0.8157 -0.0272 0.0416 0.0218 85 TYR C CZ 2460 O OH . TYR C 61 ? 0.9656 1.1456 0.8207 -0.0245 0.0333 0.0238 85 TYR C OH 2461 N N . PHE C 62 ? 0.4810 0.5657 0.4781 -0.0350 0.0513 -0.0317 86 PHE C N 2462 C CA . PHE C 62 ? 0.4865 0.5677 0.5096 -0.0350 0.0531 -0.0413 86 PHE C CA 2463 C C . PHE C 62 ? 0.5688 0.6741 0.5954 -0.0354 0.0667 -0.0432 86 PHE C C 2464 O O . PHE C 62 ? 0.5983 0.7141 0.6050 -0.0315 0.0688 -0.0546 86 PHE C O 2465 C CB . PHE C 62 ? 0.4366 0.5017 0.4586 -0.0302 0.0416 -0.0601 86 PHE C CB 2466 C CG . PHE C 62 ? 0.3956 0.4408 0.4136 -0.0285 0.0303 -0.0578 86 PHE C CG 2467 C CD1 . PHE C 62 ? 0.2860 0.3296 0.2820 -0.0284 0.0259 -0.0551 86 PHE C CD1 2468 C CD2 . PHE C 62 ? 0.3804 0.4114 0.4176 -0.0265 0.0241 -0.0594 86 PHE C CD2 2469 C CE1 . PHE C 62 ? 0.2795 0.3095 0.2734 -0.0260 0.0176 -0.0522 86 PHE C CE1 2470 C CE2 . PHE C 62 ? 0.3615 0.3769 0.3925 -0.0227 0.0151 -0.0581 86 PHE C CE2 2471 C CZ . PHE C 62 ? 0.3568 0.3727 0.3664 -0.0222 0.0130 -0.0536 86 PHE C CZ 2472 N N . ASP C 63 ? 0.6470 0.7615 0.7005 -0.0401 0.0763 -0.0325 87 ASP C N 2473 C CA . ASP C 63 ? 0.7230 0.8662 0.7819 -0.0410 0.0930 -0.0287 87 ASP C CA 2474 C C . ASP C 63 ? 0.7368 0.8898 0.8101 -0.0359 0.0945 -0.0494 87 ASP C C 2475 O O . ASP C 63 ? 0.7859 0.9615 0.8476 -0.0310 0.1053 -0.0555 87 ASP C O 2476 C CB . ASP C 63 ? 0.7558 0.9061 0.8433 -0.0499 0.1041 -0.0064 87 ASP C CB 2477 C CG . ASP C 63 ? 0.7698 0.9064 0.8987 -0.0547 0.0967 -0.0120 87 ASP C CG 2478 O OD1 . ASP C 63 ? 0.8530 1.0059 1.0080 -0.0553 0.1017 -0.0215 87 ASP C OD1 2479 O OD2 . ASP C 63 ? 0.7132 0.8245 0.8490 -0.0570 0.0853 -0.0083 87 ASP C OD2 2480 N N . GLN C 64 ? 0.7054 0.8426 0.8026 -0.0351 0.0831 -0.0608 88 GLN C N 2481 C CA . GLN C 64 ? 0.7484 0.8958 0.8644 -0.0289 0.0831 -0.0789 88 GLN C CA 2482 C C . GLN C 64 ? 0.6847 0.8109 0.7828 -0.0195 0.0685 -0.0982 88 GLN C C 2483 O O . GLN C 64 ? 0.7220 0.8234 0.8163 -0.0195 0.0547 -0.0992 88 GLN C O 2484 C CB . GLN C 64 ? 0.8653 1.0154 1.0260 -0.0342 0.0807 -0.0775 88 GLN C CB 2485 C CG . GLN C 64 ? 0.9754 1.1418 1.1606 -0.0269 0.0804 -0.0950 88 GLN C CG 2486 C CD . GLN C 64 ? 1.0593 1.2366 1.2938 -0.0341 0.0788 -0.0931 88 GLN C CD 2487 O OE1 . GLN C 64 ? 1.0420 1.2049 1.2909 -0.0436 0.0730 -0.0831 88 GLN C OE1 2488 N NE2 . GLN C 64 ? 1.1458 1.3490 1.4084 -0.0292 0.0832 -0.1040 88 GLN C NE2 2489 N N . VAL C 65 ? 0.6163 0.7520 0.7036 -0.0109 0.0724 -0.1130 89 VAL C N 2490 C CA . VAL C 65 ? 0.5589 0.6726 0.6304 -0.0020 0.0599 -0.1302 89 VAL C CA 2491 C C . VAL C 65 ? 0.5219 0.6392 0.6175 0.0080 0.0566 -0.1453 89 VAL C C 2492 O O . VAL C 65 ? 0.5527 0.6934 0.6579 0.0142 0.0673 -0.1533 89 VAL C O 2493 C CB . VAL C 65 ? 0.5552 0.6700 0.5936 0.0016 0.0635 -0.1387 89 VAL C CB 2494 C CG1 . VAL C 65 ? 0.6050 0.6931 0.6315 0.0093 0.0507 -0.1555 89 VAL C CG1 2495 C CG2 . VAL C 65 ? 0.5077 0.6215 0.5221 -0.0070 0.0642 -0.1243 89 VAL C CG2 2496 N N . LEU C 66 ? 0.4854 0.5815 0.5896 0.0112 0.0417 -0.1492 90 LEU C N 2497 C CA . LEU C 66 ? 0.4704 0.5690 0.5968 0.0225 0.0353 -0.1625 90 LEU C CA 2498 C C . LEU C 66 ? 0.4442 0.5279 0.5516 0.0350 0.0317 -0.1774 90 LEU C C 2499 O O . LEU C 66 ? 0.5258 0.6210 0.6487 0.0467 0.0333 -0.1899 90 LEU C O 2500 C CB . LEU C 66 ? 0.4735 0.5554 0.6118 0.0234 0.0194 -0.1611 90 LEU C CB 2501 C CG . LEU C 66 ? 0.4689 0.5580 0.6283 0.0121 0.0188 -0.1499 90 LEU C CG 2502 C CD1 . LEU C 66 ? 0.4489 0.5195 0.6130 0.0167 0.0009 -0.1536 90 LEU C CD1 2503 C CD2 . LEU C 66 ? 0.5423 0.6650 0.7400 0.0077 0.0296 -0.1493 90 LEU C CD2 2504 N N . VAL C 67 ? 0.3907 0.4489 0.4674 0.0323 0.0265 -0.1761 91 VAL C N 2505 C CA . VAL C 67 ? 0.4082 0.4444 0.4678 0.0417 0.0210 -0.1892 91 VAL C CA 2506 C C . VAL C 67 ? 0.4859 0.5135 0.5160 0.0343 0.0240 -0.1895 91 VAL C C 2507 O O . VAL C 67 ? 0.5332 0.5584 0.5516 0.0229 0.0232 -0.1767 91 VAL C O 2508 C CB . VAL C 67 ? 0.3822 0.3878 0.4393 0.0472 0.0056 -0.1878 91 VAL C CB 2509 C CG1 . VAL C 67 ? 0.4572 0.4351 0.4984 0.0553 0.0003 -0.1985 91 VAL C CG1 2510 C CG2 . VAL C 67 ? 0.3354 0.3511 0.4201 0.0563 -0.0003 -0.1898 91 VAL C CG2 2511 N N . ASN C 68 ? 0.4642 0.4879 0.4833 0.0419 0.0262 -0.2057 92 ASN C N 2512 C CA . ASN C 68 ? 0.4837 0.4974 0.4757 0.0357 0.0254 -0.2107 92 ASN C CA 2513 C C . ASN C 68 ? 0.5775 0.5722 0.5613 0.0466 0.0217 -0.2325 92 ASN C C 2514 O O . ASN C 68 ? 0.6585 0.6658 0.6292 0.0504 0.0283 -0.2467 92 ASN C O 2515 C CB . ASN C 68 ? 0.5247 0.5706 0.5064 0.0295 0.0380 -0.2060 92 ASN C CB 2516 C CG . ASN C 68 ? 0.6447 0.6838 0.5982 0.0211 0.0340 -0.2081 92 ASN C CG 2517 O OD1 . ASN C 68 ? 0.6884 0.6991 0.6342 0.0167 0.0222 -0.2107 92 ASN C OD1 2518 N ND2 . ASN C 68 ? 0.6939 0.7610 0.6328 0.0189 0.0439 -0.2061 92 ASN C ND2 2519 N N . ILE C 69 ? 0.5672 0.5303 0.5575 0.0528 0.0110 -0.2351 93 ILE C N 2520 C CA . ILE C 69 ? 0.5932 0.5306 0.5771 0.0607 0.0057 -0.2438 93 ILE C CA 2521 C C . ILE C 69 ? 0.6186 0.5379 0.5803 0.0490 0.0009 -0.2466 93 ILE C C 2522 O O . ILE C 69 ? 0.6105 0.5189 0.5662 0.0359 -0.0048 -0.2369 93 ILE C O 2523 C CB . ILE C 69 ? 0.5975 0.5048 0.5922 0.0686 -0.0043 -0.2373 93 ILE C CB 2524 C CG1 . ILE C 69 ? 0.5572 0.4811 0.5732 0.0857 -0.0015 -0.2425 93 ILE C CG1 2525 C CG2 . ILE C 69 ? 0.6377 0.5059 0.6209 0.0682 -0.0119 -0.2407 93 ILE C CG2 2526 C CD1 . ILE C 69 ? 0.5764 0.5421 0.6103 0.0861 0.0077 -0.2427 93 ILE C CD1 2527 N N . GLY C 70 ? 0.6440 0.5621 0.5950 0.0542 0.0029 -0.2608 94 GLY C N 2528 C CA . GLY C 70 ? 0.7068 0.6116 0.6382 0.0437 -0.0027 -0.2670 94 GLY C CA 2529 C C . GLY C 70 ? 0.7046 0.6442 0.6211 0.0367 0.0036 -0.2682 94 GLY C C 2530 O O . GLY C 70 ? 0.7574 0.6942 0.6564 0.0296 -0.0012 -0.2752 94 GLY C O 2531 N N . ASN C 71 ? 0.7026 0.6754 0.6263 0.0388 0.0144 -0.2614 95 ASN C N 2532 C CA . ASN C 71 ? 0.7203 0.7287 0.6297 0.0325 0.0228 -0.2587 95 ASN C CA 2533 C C . ASN C 71 ? 0.6922 0.6933 0.5863 0.0170 0.0131 -0.2531 95 ASN C C 2534 O O . ASN C 71 ? 0.7466 0.7666 0.6204 0.0137 0.0141 -0.2566 95 ASN C O 2535 C CB . ASN C 71 ? 0.8389 0.8706 0.7336 0.0430 0.0321 -0.2715 95 ASN C CB 2536 C CG . ASN C 71 ? 0.9609 1.0388 0.8501 0.0433 0.0486 -0.2641 95 ASN C CG 2537 O OD1 . ASN C 71 ? 1.0613 1.1624 0.9678 0.0515 0.0620 -0.2622 95 ASN C OD1 2538 N ND2 . ASN C 71 ? 0.9668 1.0602 0.8337 0.0342 0.0482 -0.2579 95 ASN C ND2 2539 N N . ASN C 72 ? 0.6683 0.6448 0.5729 0.0081 0.0039 -0.2436 96 ASN C N 2540 C CA . ASN C 72 ? 0.6407 0.6115 0.5370 -0.0071 -0.0056 -0.2375 96 ASN C CA 2541 C C . ASN C 72 ? 0.5953 0.5897 0.4928 -0.0148 -0.0010 -0.2124 96 ASN C C 2542 O O . ASN C 72 ? 0.5510 0.5490 0.4423 -0.0259 -0.0074 -0.2042 96 ASN C O 2543 C CB . ASN C 72 ? 0.6885 0.6207 0.5967 -0.0127 -0.0165 -0.2340 96 ASN C CB 2544 C CG . ASN C 72 ? 0.7338 0.6366 0.6407 -0.0070 -0.0222 -0.2471 96 ASN C CG 2545 O OD1 . ASN C 72 ? 0.7425 0.6429 0.6372 -0.0112 -0.0275 -0.2583 96 ASN C OD1 2546 N ND2 . ASN C 72 ? 0.7384 0.6188 0.6577 0.0031 -0.0216 -0.2461 96 ASN C ND2 2547 N N . PHE C 73 ? 0.6157 0.6260 0.5237 -0.0086 0.0095 -0.2010 97 PHE C N 2548 C CA . PHE C 73 ? 0.5789 0.6091 0.4898 -0.0144 0.0145 -0.1783 97 PHE C CA 2549 C C . PHE C 73 ? 0.6825 0.7461 0.5807 -0.0118 0.0257 -0.1761 97 PHE C C 2550 O O . PHE C 73 ? 0.7092 0.7869 0.6118 -0.0031 0.0364 -0.1822 97 PHE C O 2551 C CB . PHE C 73 ? 0.4613 0.4858 0.3946 -0.0111 0.0175 -0.1662 97 PHE C CB 2552 C CG . PHE C 73 ? 0.4385 0.4779 0.3773 -0.0164 0.0217 -0.1448 97 PHE C CG 2553 C CD1 . PHE C 73 ? 0.4554 0.4867 0.3920 -0.0235 0.0147 -0.1322 97 PHE C CD1 2554 C CD2 . PHE C 73 ? 0.4313 0.4926 0.3795 -0.0141 0.0331 -0.1370 97 PHE C CD2 2555 C CE1 . PHE C 73 ? 0.4236 0.4656 0.3656 -0.0264 0.0179 -0.1139 97 PHE C CE1 2556 C CE2 . PHE C 73 ? 0.3874 0.4572 0.3426 -0.0191 0.0362 -0.1173 97 PHE C CE2 2557 C CZ . PHE C 73 ? 0.3851 0.4438 0.3363 -0.0243 0.0281 -0.1067 97 PHE C CZ 2558 N N . ASP C 74 ? 0.7871 0.8655 0.6700 -0.0186 0.0238 -0.1659 98 ASP C N 2559 C CA . ASP C 74 ? 0.9255 1.0361 0.7924 -0.0158 0.0343 -0.1590 98 ASP C CA 2560 C C . ASP C 74 ? 0.8715 0.9935 0.7532 -0.0181 0.0436 -0.1329 98 ASP C C 2561 O O . ASP C 74 ? 0.8898 1.0089 0.7733 -0.0242 0.0384 -0.1164 98 ASP C O 2562 C CB . ASP C 74 ? 1.0901 1.2123 0.9316 -0.0203 0.0256 -0.1614 98 ASP C CB 2563 C CG . ASP C 74 ? 1.2798 1.4366 1.0988 -0.0151 0.0361 -0.1538 98 ASP C CG 2564 O OD1 . ASP C 74 ? 1.3405 1.5123 1.1628 -0.0081 0.0516 -0.1505 98 ASP C OD1 2565 O OD2 . ASP C 74 ? 1.3675 1.5388 1.1660 -0.0178 0.0289 -0.1501 98 ASP C OD2 2566 N N . SER C 75 ? 0.8509 0.9859 0.7455 -0.0129 0.0571 -0.1299 99 SER C N 2567 C CA . SER C 75 ? 0.9086 1.0508 0.8236 -0.0164 0.0656 -0.1069 99 SER C CA 2568 C C . SER C 75 ? 0.9278 1.0877 0.8270 -0.0200 0.0699 -0.0856 99 SER C C 2569 O O . SER C 75 ? 0.9120 1.0661 0.8244 -0.0248 0.0696 -0.0657 99 SER C O 2570 C CB . SER C 75 ? 0.9890 1.1477 0.9232 -0.0115 0.0803 -0.1084 99 SER C CB 2571 O OG . SER C 75 ? 1.0844 1.2690 0.9981 -0.0046 0.0912 -0.1168 99 SER C OG 2572 N N . GLU C 76 ? 0.9652 1.1458 0.8348 -0.0161 0.0729 -0.0906 100 GLU C N 2573 C CA . GLU C 76 ? 0.9938 1.1950 0.8439 -0.0168 0.0770 -0.0696 100 GLU C CA 2574 C C . GLU C 76 ? 0.9160 1.1042 0.7642 -0.0222 0.0627 -0.0590 100 GLU C C 2575 O O . GLU C 76 ? 0.9154 1.1079 0.7671 -0.0238 0.0658 -0.0345 100 GLU C O 2576 C CB . GLU C 76 ? 1.0896 1.3164 0.9036 -0.0095 0.0799 -0.0816 100 GLU C CB 2577 C CG . GLU C 76 ? 1.1597 1.4149 0.9511 -0.0067 0.0892 -0.0573 100 GLU C CG 2578 C CD . GLU C 76 ? 1.1561 1.4215 0.9683 -0.0081 0.1087 -0.0310 100 GLU C CD 2579 O OE1 . GLU C 76 ? 1.2223 1.5089 1.0332 -0.0029 0.1254 -0.0337 100 GLU C OE1 2580 O OE2 . GLU C 76 ? 1.0885 1.3408 0.9201 -0.0145 0.1076 -0.0080 100 GLU C OE2 2581 N N . ARG C 77 ? 0.8595 1.0319 0.7044 -0.0247 0.0475 -0.0769 101 ARG C N 2582 C CA . ARG C 77 ? 0.8470 1.0111 0.6931 -0.0296 0.0344 -0.0686 101 ARG C CA 2583 C C . ARG C 77 ? 0.8053 0.9416 0.6782 -0.0334 0.0293 -0.0684 101 ARG C C 2584 O O . ARG C 77 ? 0.7839 0.9133 0.6619 -0.0365 0.0204 -0.0610 101 ARG C O 2585 C CB . ARG C 77 ? 0.8816 1.0511 0.7076 -0.0315 0.0206 -0.0866 101 ARG C CB 2586 C CG . ARG C 77 ? 0.9294 1.1275 0.7236 -0.0260 0.0229 -0.0916 101 ARG C CG 2587 C CD . ARG C 77 ? 0.9558 1.1565 0.7338 -0.0290 0.0063 -0.1147 101 ARG C CD 2588 N NE . ARG C 77 ? 1.0217 1.2535 0.7659 -0.0228 0.0046 -0.1176 101 ARG C NE 2589 C CZ . ARG C 77 ? 1.0630 1.3095 0.7843 -0.0141 0.0132 -0.1312 101 ARG C CZ 2590 N NH1 . ARG C 77 ? 1.0078 1.2414 0.7400 -0.0107 0.0244 -0.1430 101 ARG C NH1 2591 N NH2 . ARG C 77 ? 1.1398 1.4166 0.8266 -0.0071 0.0107 -0.1330 101 ARG C NH2 2592 N N . SER C 78 ? 0.7871 0.9109 0.6768 -0.0316 0.0352 -0.0763 102 SER C N 2593 C CA . SER C 78 ? 0.6967 0.7959 0.6088 -0.0329 0.0303 -0.0772 102 SER C CA 2594 C C . SER C 78 ? 0.5734 0.6583 0.4814 -0.0366 0.0174 -0.0859 102 SER C C 2595 O O . SER C 78 ? 0.5431 0.6179 0.4604 -0.0383 0.0122 -0.0767 102 SER C O 2596 C CB . SER C 78 ? 0.7227 0.8186 0.6505 -0.0335 0.0331 -0.0567 102 SER C CB 2597 O OG . SER C 78 ? 0.7485 0.8537 0.6878 -0.0324 0.0453 -0.0488 102 SER C OG 2598 N N . THR C 79 ? 0.5318 0.6168 0.4269 -0.0377 0.0128 -0.1037 103 THR C N 2599 C CA . THR C 79 ? 0.5383 0.6103 0.4322 -0.0437 0.0008 -0.1123 103 THR C CA 2600 C C . THR C 79 ? 0.5706 0.6218 0.4670 -0.0424 -0.0020 -0.1329 103 THR C C 2601 O O . THR C 79 ? 0.6466 0.7025 0.5347 -0.0370 0.0024 -0.1472 103 THR C O 2602 C CB . THR C 79 ? 0.5530 0.6447 0.4296 -0.0484 -0.0064 -0.1146 103 THR C CB 2603 O OG1 . THR C 79 ? 0.5578 0.6700 0.4305 -0.0468 -0.0033 -0.0942 103 THR C OG1 2604 C CG2 . THR C 79 ? 0.5620 0.6431 0.4452 -0.0575 -0.0188 -0.1199 103 THR C CG2 2605 N N . PHE C 80 ? 0.5051 0.5335 0.4126 -0.0461 -0.0087 -0.1333 104 PHE C N 2606 C CA . PHE C 80 ? 0.5548 0.5584 0.4654 -0.0451 -0.0129 -0.1502 104 PHE C CA 2607 C C . PHE C 80 ? 0.6491 0.6466 0.5542 -0.0548 -0.0235 -0.1617 104 PHE C C 2608 O O . PHE C 80 ? 0.6925 0.6899 0.6040 -0.0642 -0.0293 -0.1518 104 PHE C O 2609 C CB . PHE C 80 ? 0.4812 0.4618 0.4066 -0.0425 -0.0136 -0.1421 104 PHE C CB 2610 C CG . PHE C 80 ? 0.4722 0.4240 0.4012 -0.0404 -0.0183 -0.1555 104 PHE C CG 2611 C CD1 . PHE C 80 ? 0.5029 0.4477 0.4337 -0.0294 -0.0149 -0.1687 104 PHE C CD1 2612 C CD2 . PHE C 80 ? 0.4700 0.4022 0.4031 -0.0491 -0.0257 -0.1537 104 PHE C CD2 2613 C CE1 . PHE C 80 ? 0.5361 0.4518 0.4706 -0.0254 -0.0198 -0.1804 104 PHE C CE1 2614 C CE2 . PHE C 80 ? 0.5132 0.4148 0.4507 -0.0471 -0.0300 -0.1638 104 PHE C CE2 2615 C CZ . PHE C 80 ? 0.5503 0.4421 0.4876 -0.0343 -0.0276 -0.1774 104 PHE C CZ 2616 N N . ILE C 81 ? 0.6584 0.6521 0.5533 -0.0525 -0.0260 -0.1836 105 ILE C N 2617 C CA . ILE C 81 ? 0.6988 0.6824 0.5909 -0.0621 -0.0380 -0.1994 105 ILE C CA 2618 C C . ILE C 81 ? 0.7338 0.6787 0.6370 -0.0614 -0.0421 -0.2111 105 ILE C C 2619 O O . ILE C 81 ? 0.7605 0.6940 0.6600 -0.0501 -0.0386 -0.2263 105 ILE C O 2620 C CB . ILE C 81 ? 0.7527 0.7562 0.6232 -0.0592 -0.0406 -0.2194 105 ILE C CB 2621 C CG1 . ILE C 81 ? 0.7398 0.7812 0.5975 -0.0598 -0.0379 -0.2048 105 ILE C CG1 2622 C CG2 . ILE C 81 ? 0.7995 0.7872 0.6703 -0.0685 -0.0553 -0.2375 105 ILE C CG2 2623 C CD1 . ILE C 81 ? 0.7517 0.8117 0.6027 -0.0481 -0.0227 -0.1929 105 ILE C CD1 2624 N N . ALA C 82 ? 0.7590 0.6850 0.6769 -0.0729 -0.0487 -0.2026 106 ALA C N 2625 C CA . ALA C 82 ? 0.7997 0.6857 0.7293 -0.0731 -0.0523 -0.2080 106 ALA C CA 2626 C C . ALA C 82 ? 0.8896 0.7569 0.8128 -0.0714 -0.0596 -0.2333 106 ALA C C 2627 O O . ALA C 82 ? 0.9534 0.8282 0.8720 -0.0809 -0.0682 -0.2415 106 ALA C O 2628 C CB . ALA C 82 ? 0.7852 0.6591 0.7313 -0.0878 -0.0568 -0.1911 106 ALA C CB 2629 N N . PRO C 83 ? 0.8945 0.7387 0.8161 -0.0570 -0.0556 -0.2393 107 PRO C N 2630 C CA . PRO C 83 ? 0.9075 0.7325 0.8209 -0.0526 -0.0600 -0.2569 107 PRO C CA 2631 C C . PRO C 83 ? 0.9120 0.6989 0.8377 -0.0655 -0.0700 -0.2589 107 PRO C C 2632 O O . PRO C 83 ? 0.9966 0.7679 0.9162 -0.0659 -0.0756 -0.2750 107 PRO C O 2633 C CB . PRO C 83 ? 0.9199 0.7369 0.8322 -0.0327 -0.0510 -0.2602 107 PRO C CB 2634 C CG . PRO C 83 ? 0.9260 0.7382 0.8517 -0.0305 -0.0469 -0.2428 107 PRO C CG 2635 C CD . PRO C 83 ? 0.8907 0.7295 0.8178 -0.0429 -0.0470 -0.2315 107 PRO C CD 2636 N N . ARG C 84 ? 0.8430 0.6147 0.7867 -0.0759 -0.0715 -0.2428 108 ARG C N 2637 C CA . ARG C 84 ? 0.8726 0.6070 0.8321 -0.0894 -0.0788 -0.2407 108 ARG C CA 2638 C C . ARG C 84 ? 0.8550 0.5869 0.8357 -0.1044 -0.0795 -0.2198 108 ARG C C 2639 O O . ARG C 84 ? 0.8614 0.6177 0.8420 -0.1009 -0.0730 -0.2059 108 ARG C O 2640 C CB . ARG C 84 ? 0.9066 0.6024 0.8674 -0.0757 -0.0758 -0.2440 108 ARG C CB 2641 C CG . ARG C 84 ? 0.9208 0.6124 0.8849 -0.0605 -0.0680 -0.2296 108 ARG C CG 2642 C CD . ARG C 84 ? 0.9808 0.6405 0.9455 -0.0439 -0.0659 -0.2345 108 ARG C CD 2643 N NE . ARG C 84 ? 1.0098 0.6259 0.9879 -0.0537 -0.0714 -0.2300 108 ARG C NE 2644 C CZ . ARG C 84 ? 1.0398 0.6213 1.0212 -0.0415 -0.0711 -0.2325 108 ARG C CZ 2645 N NH1 . ARG C 84 ? 1.0301 0.6186 1.0038 -0.0189 -0.0662 -0.2404 108 ARG C NH1 2646 N NH2 . ARG C 84 ? 1.0927 0.6338 1.0873 -0.0521 -0.0755 -0.2260 108 ARG C NH2 2647 N N . LYS C 85 ? 0.8635 0.5677 0.8624 -0.1209 -0.0853 -0.2144 109 LYS C N 2648 C CA . LYS C 85 ? 0.8838 0.5848 0.9062 -0.1363 -0.0846 -0.1906 109 LYS C CA 2649 C C . LYS C 85 ? 0.8616 0.5400 0.8821 -0.1221 -0.0752 -0.1678 109 LYS C C 2650 O O . LYS C 85 ? 0.9105 0.5471 0.9331 -0.1137 -0.0777 -0.1735 109 LYS C O 2651 C CB . LYS C 85 ? 0.9735 0.6548 1.0172 -0.1593 -0.0919 -0.1890 109 LYS C CB 2652 C CG . LYS C 85 ? 1.0153 0.6948 1.0845 -0.1759 -0.0880 -0.1583 109 LYS C CG 2653 C CD . LYS C 85 ? 1.1356 0.8052 1.2306 -0.2019 -0.0954 -0.1593 109 LYS C CD 2654 C CE . LYS C 85 ? 1.2088 0.8599 1.3313 -0.2165 -0.0890 -0.1262 109 LYS C CE 2655 N NZ . LYS C 85 ? 1.3032 0.9386 1.4485 -0.2387 -0.0926 -0.1274 109 LYS C NZ 2656 N N . GLY C 86 ? 0.7788 0.4848 0.7943 -0.1180 -0.0654 -0.1429 110 GLY C N 2657 C CA . GLY C 86 ? 0.7643 0.4544 0.7749 -0.1037 -0.0577 -0.1211 110 GLY C CA 2658 C C . GLY C 86 ? 0.7322 0.4576 0.7359 -0.0999 -0.0483 -0.0978 110 GLY C C 2659 O O . GLY C 86 ? 0.7324 0.4933 0.7380 -0.1092 -0.0470 -0.0960 110 GLY C O 2660 N N . ILE C 87 ? 0.6882 0.4033 0.6834 -0.0845 -0.0426 -0.0810 111 ILE C N 2661 C CA . ILE C 87 ? 0.6457 0.3905 0.6310 -0.0763 -0.0346 -0.0626 111 ILE C CA 2662 C C . ILE C 87 ? 0.6745 0.4351 0.6457 -0.0575 -0.0345 -0.0753 111 ILE C C 2663 O O . ILE C 87 ? 0.7129 0.4539 0.6791 -0.0423 -0.0369 -0.0823 111 ILE C O 2664 C CB . ILE C 87 ? 0.6620 0.3894 0.6442 -0.0703 -0.0290 -0.0356 111 ILE C CB 2665 C CG1 . ILE C 87 ? 0.7637 0.4785 0.7639 -0.0911 -0.0267 -0.0185 111 ILE C CG1 2666 C CG2 . ILE C 87 ? 0.6080 0.3659 0.5764 -0.0584 -0.0220 -0.0213 111 ILE C CG2 2667 C CD1 . ILE C 87 ? 0.7631 0.5157 0.7752 -0.1083 -0.0231 -0.0128 111 ILE C CD1 2668 N N . TYR C 88 ? 0.6577 0.4543 0.6253 -0.0586 -0.0317 -0.0771 112 TYR C N 2669 C CA . TYR C 88 ? 0.6211 0.4352 0.5800 -0.0443 -0.0307 -0.0875 112 TYR C CA 2670 C C . TYR C 88 ? 0.6046 0.4367 0.5567 -0.0348 -0.0260 -0.0723 112 TYR C C 2671 O O . TYR C 88 ? 0.6169 0.4623 0.5697 -0.0412 -0.0222 -0.0569 112 TYR C O 2672 C CB . TYR C 88 ? 0.5977 0.4364 0.5568 -0.0515 -0.0314 -0.1024 112 TYR C CB 2673 C CG . TYR C 88 ? 0.6279 0.4520 0.5892 -0.0566 -0.0369 -0.1233 112 TYR C CG 2674 C CD1 . TYR C 88 ? 0.6564 0.4688 0.6260 -0.0729 -0.0421 -0.1260 112 TYR C CD1 2675 C CD2 . TYR C 88 ? 0.6459 0.4695 0.6023 -0.0450 -0.0370 -0.1418 112 TYR C CD2 2676 C CE1 . TYR C 88 ? 0.7277 0.5249 0.6983 -0.0767 -0.0488 -0.1486 112 TYR C CE1 2677 C CE2 . TYR C 88 ? 0.6701 0.4812 0.6260 -0.0471 -0.0416 -0.1633 112 TYR C CE2 2678 C CZ . TYR C 88 ? 0.7186 0.5149 0.6802 -0.0626 -0.0483 -0.1678 112 TYR C CZ 2679 O OH . TYR C 88 ? 0.8012 0.5831 0.7614 -0.0638 -0.0546 -0.1927 112 TYR C OH 2680 N N . SER C 89 ? 0.5638 0.3976 0.5109 -0.0191 -0.0269 -0.0781 113 SER C N 2681 C CA . SER C 89 ? 0.5322 0.3828 0.4733 -0.0091 -0.0248 -0.0696 113 SER C CA 2682 C C . SER C 89 ? 0.5375 0.4132 0.4820 -0.0097 -0.0234 -0.0790 113 SER C C 2683 O O . SER C 89 ? 0.5183 0.3966 0.4673 -0.0103 -0.0240 -0.0933 113 SER C O 2684 C CB . SER C 89 ? 0.5721 0.4090 0.5078 0.0085 -0.0288 -0.0695 113 SER C CB 2685 O OG . SER C 89 ? 0.5524 0.4066 0.4835 0.0184 -0.0293 -0.0676 113 SER C OG 2686 N N . PHE C 90 ? 0.5430 0.4368 0.4851 -0.0089 -0.0207 -0.0703 114 PHE C N 2687 C CA . PHE C 90 ? 0.4859 0.4002 0.4321 -0.0089 -0.0191 -0.0756 114 PHE C CA 2688 C C . PHE C 90 ? 0.5119 0.4325 0.4560 0.0022 -0.0198 -0.0713 114 PHE C C 2689 O O . PHE C 90 ? 0.5446 0.4634 0.4808 0.0072 -0.0194 -0.0611 114 PHE C O 2690 C CB . PHE C 90 ? 0.4320 0.3634 0.3797 -0.0212 -0.0162 -0.0712 114 PHE C CB 2691 C CG . PHE C 90 ? 0.4193 0.3484 0.3687 -0.0319 -0.0175 -0.0804 114 PHE C CG 2692 C CD1 . PHE C 90 ? 0.4231 0.3596 0.3730 -0.0316 -0.0168 -0.0929 114 PHE C CD1 2693 C CD2 . PHE C 90 ? 0.3902 0.3108 0.3413 -0.0422 -0.0193 -0.0770 114 PHE C CD2 2694 C CE1 . PHE C 90 ? 0.4296 0.3648 0.3773 -0.0392 -0.0187 -0.1042 114 PHE C CE1 2695 C CE2 . PHE C 90 ? 0.4246 0.3414 0.3774 -0.0518 -0.0228 -0.0890 114 PHE C CE2 2696 C CZ . PHE C 90 ? 0.4299 0.3540 0.3789 -0.0492 -0.0228 -0.1038 114 PHE C CZ 2697 N N . ASN C 91 ? 0.4927 0.4212 0.4446 0.0060 -0.0208 -0.0796 115 ASN C N 2698 C CA . ASN C 91 ? 0.4988 0.4325 0.4525 0.0148 -0.0231 -0.0791 115 ASN C CA 2699 C C . ASN C 91 ? 0.4411 0.3881 0.4067 0.0100 -0.0205 -0.0820 115 ASN C C 2700 O O . ASN C 91 ? 0.5228 0.4749 0.4964 0.0046 -0.0178 -0.0878 115 ASN C O 2701 C CB . ASN C 91 ? 0.5855 0.5097 0.5402 0.0272 -0.0303 -0.0869 115 ASN C CB 2702 C CG . ASN C 91 ? 0.7254 0.6362 0.6646 0.0349 -0.0327 -0.0799 115 ASN C CG 2703 O OD1 . ASN C 91 ? 0.8065 0.7184 0.7340 0.0423 -0.0334 -0.0729 115 ASN C OD1 2704 N ND2 . ASN C 91 ? 0.7969 0.6943 0.7354 0.0341 -0.0335 -0.0809 115 ASN C ND2 2705 N N . PHE C 92 ? 0.3508 0.3032 0.3175 0.0128 -0.0204 -0.0771 116 PHE C N 2706 C CA . PHE C 92 ? 0.3974 0.3586 0.3768 0.0087 -0.0179 -0.0768 116 PHE C CA 2707 C C . PHE C 92 ? 0.4664 0.4237 0.4511 0.0168 -0.0223 -0.0780 116 PHE C C 2708 O O . PHE C 92 ? 0.5185 0.4725 0.4920 0.0249 -0.0244 -0.0753 116 PHE C O 2709 C CB . PHE C 92 ? 0.3504 0.3234 0.3258 0.0000 -0.0120 -0.0670 116 PHE C CB 2710 C CG . PHE C 92 ? 0.3006 0.2772 0.2680 0.0030 -0.0118 -0.0575 116 PHE C CG 2711 C CD1 . PHE C 92 ? 0.3066 0.2838 0.2643 0.0015 -0.0113 -0.0533 116 PHE C CD1 2712 C CD2 . PHE C 92 ? 0.3240 0.3038 0.2962 0.0075 -0.0115 -0.0523 116 PHE C CD2 2713 C CE1 . PHE C 92 ? 0.3277 0.3137 0.2813 0.0045 -0.0095 -0.0438 116 PHE C CE1 2714 C CE2 . PHE C 92 ? 0.2724 0.2585 0.2386 0.0126 -0.0106 -0.0443 116 PHE C CE2 2715 C CZ . PHE C 92 ? 0.2741 0.2659 0.2314 0.0111 -0.0090 -0.0399 116 PHE C CZ 2716 N N . HIS C 93 ? 0.4747 0.4326 0.4775 0.0148 -0.0232 -0.0826 117 HIS C N 2717 C CA . HIS C 93 ? 0.5477 0.4992 0.5603 0.0202 -0.0282 -0.0854 117 HIS C CA 2718 C C . HIS C 93 ? 0.4454 0.4011 0.4741 0.0114 -0.0223 -0.0774 117 HIS C C 2719 O O . HIS C 93 ? 0.4735 0.4351 0.5181 0.0037 -0.0188 -0.0783 117 HIS C O 2720 C CB . HIS C 93 ? 0.7581 0.7033 0.7824 0.0263 -0.0380 -0.1001 117 HIS C CB 2721 C CG . HIS C 93 ? 0.9761 0.9173 0.9826 0.0368 -0.0442 -0.1060 117 HIS C CG 2722 N ND1 . HIS C 93 ? 1.0737 1.0082 1.0676 0.0502 -0.0524 -0.1119 117 HIS C ND1 2723 C CD2 . HIS C 93 ? 1.0461 0.9882 1.0441 0.0371 -0.0432 -0.1060 117 HIS C CD2 2724 C CE1 . HIS C 93 ? 1.1194 1.0521 1.0966 0.0579 -0.0555 -0.1128 117 HIS C CE1 2725 N NE2 . HIS C 93 ? 1.0906 1.0260 1.0715 0.0499 -0.0503 -0.1090 117 HIS C NE2 2726 N N . VAL C 94 ? 0.4184 0.3725 0.4427 0.0136 -0.0204 -0.0680 118 VAL C N 2727 C CA . VAL C 94 ? 0.4186 0.3738 0.4565 0.0072 -0.0152 -0.0571 118 VAL C CA 2728 C C . VAL C 94 ? 0.4331 0.3715 0.4879 0.0123 -0.0217 -0.0622 118 VAL C C 2729 O O . VAL C 94 ? 0.3834 0.3132 0.4302 0.0230 -0.0261 -0.0639 118 VAL C O 2730 C CB . VAL C 94 ? 0.4366 0.4015 0.4606 0.0069 -0.0097 -0.0422 118 VAL C CB 2731 C CG1 . VAL C 94 ? 0.4696 0.4335 0.5057 0.0031 -0.0051 -0.0284 118 VAL C CG1 2732 C CG2 . VAL C 94 ? 0.4024 0.3829 0.4124 0.0002 -0.0051 -0.0400 118 VAL C CG2 2733 N N . VAL C 95 ? 0.4921 0.4266 0.5719 0.0047 -0.0223 -0.0654 119 VAL C N 2734 C CA . VAL C 95 ? 0.4659 0.3821 0.5677 0.0068 -0.0304 -0.0732 119 VAL C CA 2735 C C . VAL C 95 ? 0.4764 0.3846 0.5933 0.0008 -0.0242 -0.0565 119 VAL C C 2736 O O . VAL C 95 ? 0.4759 0.3943 0.6038 -0.0108 -0.0143 -0.0430 119 VAL C O 2737 C CB . VAL C 95 ? 0.4424 0.3598 0.5699 0.0006 -0.0363 -0.0870 119 VAL C CB 2738 C CG1 . VAL C 95 ? 0.5051 0.4022 0.6562 0.0026 -0.0481 -0.0991 119 VAL C CG1 2739 C CG2 . VAL C 95 ? 0.4623 0.3888 0.5742 0.0074 -0.0420 -0.1005 119 VAL C CG2 2740 N N . LYS C 96 ? 0.5072 0.3972 0.6239 0.0102 -0.0295 -0.0568 120 LYS C N 2741 C CA . LYS C 96 ? 0.5789 0.4564 0.7091 0.0073 -0.0248 -0.0396 120 LYS C CA 2742 C C . LYS C 96 ? 0.6280 0.4772 0.7869 0.0076 -0.0345 -0.0500 120 LYS C C 2743 O O . LYS C 96 ? 0.6343 0.4749 0.7970 0.0134 -0.0466 -0.0730 120 LYS C O 2744 C CB . LYS C 96 ? 0.5899 0.4702 0.6966 0.0194 -0.0223 -0.0285 120 LYS C CB 2745 C CG . LYS C 96 ? 0.5771 0.4450 0.6731 0.0371 -0.0317 -0.0438 120 LYS C CG 2746 C CD . LYS C 96 ? 0.6068 0.4756 0.6911 0.0488 -0.0285 -0.0302 120 LYS C CD 2747 C CE . LYS C 96 ? 0.6663 0.5108 0.7718 0.0496 -0.0289 -0.0188 120 LYS C CE 2748 N NZ . LYS C 96 ? 0.7128 0.5296 0.8261 0.0645 -0.0393 -0.0359 120 LYS C NZ 2749 N N . VAL C 97 ? 0.6783 0.5125 0.8572 0.0016 -0.0298 -0.0329 121 VAL C N 2750 C CA . VAL C 97 ? 0.7133 0.5156 0.9239 -0.0002 -0.0388 -0.0406 121 VAL C CA 2751 C C . VAL C 97 ? 0.7433 0.5219 0.9489 0.0131 -0.0404 -0.0319 121 VAL C C 2752 O O . VAL C 97 ? 0.7595 0.5510 0.9395 0.0223 -0.0337 -0.0174 121 VAL C O 2753 C CB . VAL C 97 ? 0.7069 0.5071 0.9549 -0.0209 -0.0316 -0.0265 121 VAL C CB 2754 C CG1 . VAL C 97 ? 0.6770 0.4939 0.9424 -0.0315 -0.0354 -0.0437 121 VAL C CG1 2755 C CG2 . VAL C 97 ? 0.7232 0.5422 0.9608 -0.0279 -0.0138 0.0052 121 VAL C CG2 2756 N N . TYR C 98 ? 0.8030 0.5473 1.0348 0.0148 -0.0505 -0.0419 122 TYR C N 2757 C CA . TYR C 98 ? 0.8956 0.6128 1.1257 0.0297 -0.0533 -0.0358 122 TYR C CA 2758 C C . TYR C 98 ? 0.9613 0.6817 1.1925 0.0242 -0.0392 0.0006 122 TYR C C 2759 O O . TYR C 98 ? 0.9678 0.6779 1.2269 0.0075 -0.0331 0.0181 122 TYR C O 2760 C CB . TYR C 98 ? 0.9452 0.6205 1.2085 0.0297 -0.0672 -0.0539 122 TYR C CB 2761 C CG . TYR C 98 ? 1.0331 0.6750 1.2980 0.0465 -0.0708 -0.0491 122 TYR C CG 2762 C CD1 . TYR C 98 ? 1.0874 0.7277 1.3250 0.0721 -0.0775 -0.0664 122 TYR C CD1 2763 C CD2 . TYR C 98 ? 1.0704 0.6828 1.3647 0.0378 -0.0667 -0.0261 122 TYR C CD2 2764 C CE1 . TYR C 98 ? 1.1504 0.7662 1.3864 0.0889 -0.0792 -0.0623 122 TYR C CE1 2765 C CE2 . TYR C 98 ? 1.1407 0.7280 1.4299 0.0540 -0.0688 -0.0208 122 TYR C CE2 2766 C CZ . TYR C 98 ? 1.1840 0.7729 1.4449 0.0799 -0.0753 -0.0399 122 TYR C CZ 2767 O OH . TYR C 98 ? 1.2408 0.8062 1.4975 0.0973 -0.0766 -0.0356 122 TYR C OH 2768 N N . ASN C 99 ? 1.0268 0.7641 1.2277 0.0384 -0.0341 0.0125 123 ASN C N 2769 C CA . ASN C 99 ? 1.1123 0.8583 1.3071 0.0369 -0.0226 0.0463 123 ASN C CA 2770 C C . ASN C 99 ? 1.1595 0.8970 1.3404 0.0594 -0.0255 0.0532 123 ASN C C 2771 O O . ASN C 99 ? 1.1870 0.9413 1.3539 0.0636 -0.0182 0.0782 123 ASN C O 2772 C CB . ASN C 99 ? 1.1687 0.9579 1.3394 0.0283 -0.0123 0.0565 123 ASN C CB 2773 C CG . ASN C 99 ? 1.2400 1.0540 1.3819 0.0391 -0.0161 0.0383 123 ASN C CG 2774 O OD1 . ASN C 99 ? 1.3277 1.1301 1.4661 0.0529 -0.0252 0.0178 123 ASN C OD1 2775 N ND2 . ASN C 99 ? 1.2029 1.0510 1.3241 0.0328 -0.0089 0.0453 123 ASN C ND2 2776 N N . ARG C 100 ? 1.1385 0.8533 1.3225 0.0754 -0.0367 0.0294 124 ARG C N 2777 C CA . ARG C 100 ? 1.1240 0.8288 1.2990 0.0998 -0.0402 0.0314 124 ARG C CA 2778 C C . ARG C 100 ? 1.0721 0.8206 1.2149 0.1106 -0.0354 0.0341 124 ARG C C 2779 O O . ARG C 100 ? 1.1043 0.8574 1.2386 0.1305 -0.0360 0.0400 124 ARG C O 2780 C CB . ARG C 100 ? 1.1614 0.8420 1.3524 0.1021 -0.0366 0.0612 124 ARG C CB 2781 C CG . ARG C 100 ? 1.2241 0.8609 1.4518 0.0877 -0.0395 0.0639 124 ARG C CG 2782 C CD . ARG C 100 ? 1.2743 0.9215 1.5106 0.0664 -0.0267 0.0975 124 ARG C CD 2783 N NE . ARG C 100 ? 1.3480 0.9621 1.6230 0.0468 -0.0270 0.1006 124 ARG C NE 2784 C CZ . ARG C 100 ? 1.4467 1.0164 1.7499 0.0473 -0.0287 0.1161 124 ARG C CZ 2785 N NH1 . ARG C 100 ? 1.4606 1.0153 1.7522 0.0686 -0.0306 0.1284 124 ARG C NH1 2786 N NH2 . ARG C 100 ? 1.4970 1.0504 1.8292 0.0254 -0.0277 0.1156 124 ARG C NH2 2787 N N . GLN C 101 ? 0.9589 0.7395 1.0871 0.0974 -0.0311 0.0296 125 GLN C N 2788 C CA . GLN C 101 ? 0.8444 0.6665 0.9465 0.1020 -0.0262 0.0344 125 GLN C CA 2789 C C . GLN C 101 ? 0.7647 0.6043 0.8514 0.1024 -0.0284 0.0106 125 GLN C C 2790 O O . GLN C 101 ? 0.7856 0.6148 0.8785 0.0922 -0.0318 -0.0053 125 GLN C O 2791 C CB . GLN C 101 ? 0.8221 0.6682 0.9181 0.0853 -0.0176 0.0572 125 GLN C CB 2792 C CG . GLN C 101 ? 0.8700 0.7065 0.9740 0.0871 -0.0141 0.0861 125 GLN C CG 2793 C CD . GLN C 101 ? 0.9441 0.8013 1.0348 0.1045 -0.0146 0.0998 125 GLN C CD 2794 O OE1 . GLN C 101 ? 0.9632 0.8508 1.0384 0.1106 -0.0154 0.0910 125 GLN C OE1 2795 N NE2 . GLN C 101 ? 0.9996 0.8412 1.0988 0.1125 -0.0142 0.1230 125 GLN C NE2 2796 N N . THR C 102 ? 0.6788 0.5462 0.7471 0.1142 -0.0264 0.0095 126 THR C N 2797 C CA . THR C 102 ? 0.6294 0.5185 0.6808 0.1125 -0.0257 -0.0056 126 THR C CA 2798 C C . THR C 102 ? 0.6081 0.5311 0.6481 0.0987 -0.0191 0.0084 126 THR C C 2799 O O . THR C 102 ? 0.6743 0.6148 0.7129 0.1005 -0.0161 0.0263 126 THR C O 2800 C CB . THR C 102 ? 0.6465 0.5450 0.6863 0.1344 -0.0267 -0.0173 126 THR C CB 2801 O OG1 . THR C 102 ? 0.6589 0.5858 0.6946 0.1420 -0.0216 -0.0005 126 THR C OG1 2802 C CG2 . THR C 102 ? 0.7364 0.6009 0.7860 0.1519 -0.0341 -0.0322 126 THR C CG2 2803 N N . ILE C 103 ? 0.5418 0.4735 0.5739 0.0862 -0.0181 -0.0007 127 ILE C N 2804 C CA . ILE C 103 ? 0.4995 0.4577 0.5224 0.0719 -0.0131 0.0090 127 ILE C CA 2805 C C . ILE C 103 ? 0.4675 0.4475 0.4758 0.0725 -0.0116 0.0017 127 ILE C C 2806 O O . ILE C 103 ? 0.4884 0.4630 0.4913 0.0826 -0.0135 -0.0114 127 ILE C O 2807 C CB . ILE C 103 ? 0.4750 0.4254 0.5034 0.0545 -0.0117 0.0074 127 ILE C CB 2808 C CG1 . ILE C 103 ? 0.4705 0.4086 0.4995 0.0532 -0.0159 -0.0130 127 ILE C CG1 2809 C CG2 . ILE C 103 ? 0.5126 0.4438 0.5579 0.0512 -0.0109 0.0188 127 ILE C CG2 2810 C CD1 . ILE C 103 ? 0.4628 0.4005 0.4980 0.0374 -0.0141 -0.0159 127 ILE C CD1 2811 N N . GLN C 104 ? 0.4353 0.4398 0.4370 0.0618 -0.0084 0.0105 128 GLN C N 2812 C CA . GLN C 104 ? 0.4012 0.4238 0.3929 0.0573 -0.0067 0.0058 128 GLN C CA 2813 C C . GLN C 104 ? 0.4024 0.4341 0.3899 0.0396 -0.0056 0.0074 128 GLN C C 2814 O O . GLN C 104 ? 0.4420 0.4889 0.4293 0.0335 -0.0052 0.0177 128 GLN C O 2815 C CB . GLN C 104 ? 0.3871 0.4359 0.3783 0.0657 -0.0046 0.0139 128 GLN C CB 2816 C CG . GLN C 104 ? 0.3874 0.4562 0.3727 0.0575 -0.0018 0.0127 128 GLN C CG 2817 C CD . GLN C 104 ? 0.4511 0.5505 0.4417 0.0643 0.0010 0.0217 128 GLN C CD 2818 O OE1 . GLN C 104 ? 0.5015 0.6065 0.4982 0.0795 0.0012 0.0264 128 GLN C OE1 2819 N NE2 . GLN C 104 ? 0.4268 0.5465 0.4179 0.0529 0.0033 0.0242 128 GLN C NE2 2820 N N . VAL C 105 ? 0.3782 0.4009 0.3610 0.0332 -0.0058 -0.0037 129 VAL C N 2821 C CA . VAL C 105 ? 0.3363 0.3646 0.3148 0.0186 -0.0049 -0.0058 129 VAL C CA 2822 C C . VAL C 105 ? 0.2892 0.3298 0.2611 0.0139 -0.0044 -0.0074 129 VAL C C 2823 O O . VAL C 105 ? 0.2875 0.3242 0.2563 0.0208 -0.0038 -0.0108 129 VAL C O 2824 C CB . VAL C 105 ? 0.3824 0.3918 0.3635 0.0147 -0.0057 -0.0167 129 VAL C CB 2825 C CG1 . VAL C 105 ? 0.3789 0.3946 0.3554 0.0023 -0.0041 -0.0201 129 VAL C CG1 2826 C CG2 . VAL C 105 ? 0.4677 0.4644 0.4608 0.0168 -0.0056 -0.0141 129 VAL C CG2 2827 N N . SER C 106 ? 0.2687 0.3242 0.2386 0.0024 -0.0049 -0.0048 130 SER C N 2828 C CA . SER C 106 ? 0.4644 0.5289 0.4324 -0.0056 -0.0051 -0.0064 130 SER C CA 2829 C C . SER C 106 ? 0.2680 0.3253 0.2315 -0.0177 -0.0067 -0.0154 130 SER C C 2830 O O . SER C 106 ? 0.2698 0.3308 0.2305 -0.0224 -0.0076 -0.0173 130 SER C O 2831 C CB . SER C 106 ? 0.4762 0.5686 0.4500 -0.0083 -0.0063 0.0032 130 SER C CB 2832 O OG . SER C 106 ? 0.5456 0.6469 0.5247 0.0038 -0.0034 0.0102 130 SER C OG 2833 N N . LEU C 107 ? 0.2703 0.3170 0.2321 -0.0213 -0.0066 -0.0206 131 LEU C N 2834 C CA . LEU C 107 ? 0.3635 0.4021 0.3224 -0.0319 -0.0088 -0.0300 131 LEU C CA 2835 C C . LEU C 107 ? 0.4154 0.4720 0.3781 -0.0437 -0.0121 -0.0280 131 LEU C C 2836 O O . LEU C 107 ? 0.4369 0.5027 0.4069 -0.0468 -0.0115 -0.0207 131 LEU C O 2837 C CB . LEU C 107 ? 0.3618 0.3792 0.3183 -0.0302 -0.0083 -0.0347 131 LEU C CB 2838 C CG . LEU C 107 ? 0.3669 0.3722 0.3222 -0.0398 -0.0110 -0.0443 131 LEU C CG 2839 C CD1 . LEU C 107 ? 0.3654 0.3678 0.3175 -0.0397 -0.0117 -0.0557 131 LEU C CD1 2840 C CD2 . LEU C 107 ? 0.4345 0.4183 0.3877 -0.0360 -0.0106 -0.0446 131 LEU C CD2 2841 N N . MET C 108 ? 0.4273 0.4908 0.3856 -0.0503 -0.0156 -0.0350 132 MET C N 2842 C CA . MET C 108 ? 0.3559 0.4393 0.3173 -0.0612 -0.0217 -0.0362 132 MET C CA 2843 C C . MET C 108 ? 0.3689 0.4393 0.3299 -0.0728 -0.0263 -0.0502 132 MET C C 2844 O O . MET C 108 ? 0.3897 0.4409 0.3429 -0.0708 -0.0251 -0.0613 132 MET C O 2845 C CB . MET C 108 ? 0.3748 0.4780 0.3282 -0.0590 -0.0241 -0.0347 132 MET C CB 2846 C CG . MET C 108 ? 0.3274 0.4445 0.2845 -0.0486 -0.0216 -0.0194 132 MET C CG 2847 S SD . MET C 108 ? 0.4212 0.5650 0.3942 -0.0517 -0.0255 -0.0096 132 MET C SD 2848 C CE . MET C 108 ? 2.4837 2.6332 2.4603 -0.0340 -0.0204 0.0058 132 MET C CE 2849 N N . LEU C 109 ? 0.4050 0.4862 0.3773 -0.0846 -0.0317 -0.0497 133 LEU C N 2850 C CA . LEU C 109 ? 0.4579 0.5269 0.4329 -0.0975 -0.0385 -0.0643 133 LEU C CA 2851 C C . LEU C 109 ? 0.4592 0.5554 0.4392 -0.1083 -0.0490 -0.0698 133 LEU C C 2852 O O . LEU C 109 ? 0.4996 0.6141 0.4977 -0.1169 -0.0521 -0.0614 133 LEU C O 2853 C CB . LEU C 109 ? 0.4697 0.5193 0.4584 -0.1044 -0.0361 -0.0589 133 LEU C CB 2854 C CG . LEU C 109 ? 0.4686 0.4989 0.4650 -0.1190 -0.0435 -0.0722 133 LEU C CG 2855 C CD1 . LEU C 109 ? 0.5325 0.5389 0.5132 -0.1135 -0.0455 -0.0913 133 LEU C CD1 2856 C CD2 . LEU C 109 ? 0.4321 0.4435 0.4429 -0.1250 -0.0388 -0.0601 133 LEU C CD2 2857 N N . ASN C 110 ? 0.4717 0.5733 0.4359 -0.1072 -0.0545 -0.0840 134 ASN C N 2858 C CA . ASN C 110 ? 0.4991 0.6285 0.4631 -0.1152 -0.0667 -0.0919 134 ASN C CA 2859 C C . ASN C 110 ? 0.4651 0.6300 0.4379 -0.1125 -0.0684 -0.0747 134 ASN C C 2860 O O . ASN C 110 ? 0.5492 0.7365 0.5393 -0.1235 -0.0779 -0.0749 134 ASN C O 2861 C CB . ASN C 110 ? 0.4775 0.5979 0.4581 -0.1330 -0.0770 -0.1056 134 ASN C CB 2862 C CG . ASN C 110 ? 0.5530 0.6371 0.5250 -0.1343 -0.0773 -0.1248 134 ASN C CG 2863 O OD1 . ASN C 110 ? 0.5758 0.6505 0.5268 -0.1223 -0.0721 -0.1323 134 ASN C OD1 2864 N ND2 . ASN C 110 ? 0.6187 0.6821 0.6090 -0.1487 -0.0829 -0.1321 134 ASN C ND2 2865 N N . GLY C 111 ? 0.4228 0.5929 0.3868 -0.0978 -0.0598 -0.0602 135 GLY C N 2866 C CA . GLY C 111 ? 0.4579 0.6591 0.4292 -0.0917 -0.0613 -0.0439 135 GLY C CA 2867 C C . GLY C 111 ? 0.5112 0.7169 0.5057 -0.0922 -0.0561 -0.0300 135 GLY C C 2868 O O . GLY C 111 ? 0.5521 0.7862 0.5574 -0.0870 -0.0576 -0.0175 135 GLY C O 2869 N N . TRP C 112 ? 0.4995 0.6786 0.5006 -0.0967 -0.0495 -0.0317 136 TRP C N 2870 C CA . TRP C 112 ? 0.5481 0.7305 0.5670 -0.0955 -0.0418 -0.0177 136 TRP C CA 2871 C C . TRP C 112 ? 0.4653 0.6208 0.4732 -0.0819 -0.0305 -0.0126 136 TRP C C 2872 O O . TRP C 112 ? 0.4843 0.6105 0.4804 -0.0818 -0.0288 -0.0219 136 TRP C O 2873 C CB . TRP C 112 ? 0.8193 0.9959 0.8570 -0.1131 -0.0437 -0.0206 136 TRP C CB 2874 C CG . TRP C 112 ? 1.0943 1.3006 1.1526 -0.1290 -0.0553 -0.0245 136 TRP C CG 2875 C CD1 . TRP C 112 ? 1.2023 1.4192 1.2552 -0.1364 -0.0691 -0.0401 136 TRP C CD1 2876 C CD2 . TRP C 112 ? 1.2177 1.4494 1.3069 -0.1399 -0.0545 -0.0132 136 TRP C CD2 2877 N NE1 . TRP C 112 ? 1.2343 1.4811 1.3141 -0.1517 -0.0792 -0.0408 136 TRP C NE1 2878 C CE2 . TRP C 112 ? 1.2260 1.4832 1.3308 -0.1550 -0.0698 -0.0236 136 TRP C CE2 2879 C CE3 . TRP C 112 ? 1.2896 1.5277 1.3950 -0.1378 -0.0418 0.0046 136 TRP C CE3 2880 C CZ2 . TRP C 112 ? 1.2307 1.5198 1.3715 -0.1699 -0.0733 -0.0164 136 TRP C CZ2 2881 C CZ3 . TRP C 112 ? 1.2937 1.5646 1.4329 -0.1516 -0.0429 0.0135 136 TRP C CZ3 2882 C CH2 . TRP C 112 ? 1.2589 1.5552 1.4181 -0.1684 -0.0588 0.0032 136 TRP C CH2 2883 N N . PRO C 113 ? 0.4131 0.5794 0.4257 -0.0695 -0.0236 0.0008 137 PRO C N 2884 C CA . PRO C 113 ? 0.3733 0.5150 0.3755 -0.0562 -0.0150 0.0032 137 PRO C CA 2885 C C . PRO C 113 ? 0.3781 0.5031 0.3838 -0.0612 -0.0098 0.0046 137 PRO C C 2886 O O . PRO C 113 ? 0.3780 0.5196 0.3997 -0.0701 -0.0082 0.0124 137 PRO C O 2887 C CB . PRO C 113 ? 0.4221 0.5831 0.4291 -0.0412 -0.0108 0.0149 137 PRO C CB 2888 C CG . PRO C 113 ? 0.4968 0.6932 0.5231 -0.0490 -0.0137 0.0222 137 PRO C CG 2889 C CD . PRO C 113 ? 0.4648 0.6670 0.4925 -0.0653 -0.0243 0.0126 137 PRO C CD 2890 N N . VAL C 114 ? 0.4250 0.5196 0.4174 -0.0555 -0.0072 -0.0012 138 VAL C N 2891 C CA . VAL C 114 ? 0.4467 0.5237 0.4386 -0.0568 -0.0022 0.0027 138 VAL C CA 2892 C C . VAL C 114 ? 0.4396 0.5144 0.4226 -0.0388 0.0050 0.0097 138 VAL C C 2893 O O . VAL C 114 ? 0.4285 0.5142 0.4154 -0.0361 0.0120 0.0215 138 VAL C O 2894 C CB . VAL C 114 ? 0.4518 0.4968 0.4347 -0.0607 -0.0057 -0.0093 138 VAL C CB 2895 C CG1 . VAL C 114 ? 0.4966 0.5223 0.4782 -0.0608 -0.0011 -0.0024 138 VAL C CG1 2896 C CG2 . VAL C 114 ? 0.4021 0.4480 0.3909 -0.0761 -0.0135 -0.0203 138 VAL C CG2 2897 N N . ILE C 115 ? 0.4356 0.4971 0.4070 -0.0267 0.0033 0.0019 139 ILE C N 2898 C CA . ILE C 115 ? 0.4308 0.4875 0.3928 -0.0088 0.0070 0.0034 139 ILE C CA 2899 C C . ILE C 115 ? 0.3660 0.4251 0.3278 0.0006 0.0042 -0.0011 139 ILE C C 2900 O O . ILE C 115 ? 0.3562 0.4170 0.3216 -0.0065 0.0002 -0.0048 139 ILE C O 2901 C CB . ILE C 115 ? 0.4688 0.4985 0.4182 -0.0029 0.0060 -0.0029 139 ILE C CB 2902 C CG1 . ILE C 115 ? 0.4952 0.5077 0.4442 -0.0086 -0.0002 -0.0157 139 ILE C CG1 2903 C CG2 . ILE C 115 ? 0.4858 0.5108 0.4342 -0.0092 0.0101 0.0060 139 ILE C CG2 2904 C CD1 . ILE C 115 ? 0.5280 0.5169 0.4681 -0.0016 -0.0028 -0.0234 139 ILE C CD1 2905 N N . SER C 116 ? 0.3635 0.4226 0.3206 0.0169 0.0066 -0.0004 140 SER C N 2906 C CA . SER C 116 ? 0.3738 0.4296 0.3329 0.0264 0.0037 -0.0042 140 SER C CA 2907 C C . SER C 116 ? 0.3999 0.4359 0.3504 0.0412 0.0018 -0.0136 140 SER C C 2908 O O . SER C 116 ? 0.4725 0.5051 0.4124 0.0490 0.0038 -0.0149 140 SER C O 2909 C CB . SER C 116 ? 0.4321 0.5122 0.3996 0.0330 0.0063 0.0053 140 SER C CB 2910 O OG . SER C 116 ? 0.5149 0.6161 0.4921 0.0194 0.0054 0.0124 140 SER C OG 2911 N N . ALA C 117 ? 0.3408 0.3644 0.2962 0.0447 -0.0025 -0.0197 141 ALA C N 2912 C CA . ALA C 117 ? 0.3122 0.3168 0.2642 0.0576 -0.0069 -0.0312 141 ALA C CA 2913 C C . ALA C 117 ? 0.3659 0.3661 0.3280 0.0649 -0.0088 -0.0309 141 ALA C C 2914 O O . ALA C 117 ? 0.4189 0.4274 0.3898 0.0580 -0.0073 -0.0215 141 ALA C O 2915 C CB . ALA C 117 ? 0.2944 0.2816 0.2475 0.0509 -0.0119 -0.0414 141 ALA C CB 2916 N N . PHE C 118 ? 0.3629 0.3489 0.3230 0.0797 -0.0130 -0.0415 142 PHE C N 2917 C CA . PHE C 118 ? 0.3842 0.3611 0.3547 0.0889 -0.0153 -0.0420 142 PHE C CA 2918 C C . PHE C 118 ? 0.4738 0.4233 0.4525 0.0914 -0.0239 -0.0569 142 PHE C C 2919 O O . PHE C 118 ? 0.5291 0.4708 0.5025 0.0907 -0.0288 -0.0691 142 PHE C O 2920 C CB . PHE C 118 ? 0.4426 0.4309 0.4056 0.1078 -0.0121 -0.0415 142 PHE C CB 2921 C CG . PHE C 118 ? 0.4703 0.4897 0.4304 0.1047 -0.0037 -0.0267 142 PHE C CG 2922 C CD1 . PHE C 118 ? 0.4382 0.4708 0.3866 0.1009 0.0010 -0.0247 142 PHE C CD1 2923 C CD2 . PHE C 118 ? 0.4820 0.5179 0.4530 0.1054 -0.0010 -0.0141 142 PHE C CD2 2924 C CE1 . PHE C 118 ? 0.3920 0.4533 0.3431 0.0955 0.0085 -0.0109 142 PHE C CE1 2925 C CE2 . PHE C 118 ? 0.4638 0.5317 0.4368 0.1013 0.0052 -0.0018 142 PHE C CE2 2926 C CZ . PHE C 118 ? 0.3995 0.4799 0.3641 0.0952 0.0102 -0.0005 142 PHE C CZ 2927 N N . ALA C 119 ? 0.5404 0.4756 0.5343 0.0938 -0.0264 -0.0553 143 ALA C N 2928 C CA . ALA C 119 ? 0.6928 0.6009 0.7008 0.0946 -0.0351 -0.0693 143 ALA C CA 2929 C C . ALA C 119 ? 0.8851 0.7759 0.9052 0.1055 -0.0375 -0.0680 143 ALA C C 2930 O O . ALA C 119 ? 0.8819 0.7758 0.9107 0.1016 -0.0326 -0.0506 143 ALA C O 2931 C CB . ALA C 119 ? 0.6890 0.5927 0.7126 0.0750 -0.0349 -0.0654 143 ALA C CB 2932 N N . GLY C 120 ? 1.0993 0.9712 1.1191 0.1204 -0.0461 -0.0872 144 GLY C N 2933 C CA . GLY C 120 ? 1.2486 1.0993 1.2796 0.1339 -0.0497 -0.0899 144 GLY C CA 2934 C C . GLY C 120 ? 1.3591 1.1820 1.4189 0.1209 -0.0542 -0.0865 144 GLY C C 2935 O O . GLY C 120 ? 1.3124 1.1384 1.3834 0.1010 -0.0522 -0.0792 144 GLY C O 2936 N N . ASP C 121 ? 1.5032 1.2991 1.5762 0.1326 -0.0594 -0.0907 145 ASP C N 2937 C CA . ASP C 121 ? 1.6371 1.4015 1.7411 0.1208 -0.0639 -0.0867 145 ASP C CA 2938 C C . ASP C 121 ? 1.6727 1.4012 1.7915 0.1295 -0.0786 -0.1139 145 ASP C C 2939 O O . ASP C 121 ? 1.7134 1.4274 1.8257 0.1515 -0.0834 -0.1261 145 ASP C O 2940 C CB . ASP C 121 ? 1.7462 1.5044 1.8590 0.1240 -0.0571 -0.0615 145 ASP C CB 2941 C CG . ASP C 121 ? 1.8561 1.5864 2.0002 0.1076 -0.0576 -0.0485 145 ASP C CG 2942 O OD1 . ASP C 121 ? 1.8913 1.6200 2.0502 0.0882 -0.0589 -0.0524 145 ASP C OD1 2943 O OD2 . ASP C 121 ? 1.8924 1.6013 2.0483 0.1152 -0.0571 -0.0347 145 ASP C OD2 2944 N N . GLN C 122 ? 1.6544 1.3700 1.7946 0.1129 -0.0863 -0.1248 146 GLN C N 2945 C CA . GLN C 122 ? 1.6778 1.3719 1.8317 0.1115 -0.0976 -0.1443 146 GLN C CA 2946 C C . GLN C 122 ? 1.6241 1.3109 1.8119 0.0857 -0.1009 -0.1421 146 GLN C C 2947 O O . GLN C 122 ? 1.5475 1.2489 1.7429 0.0719 -0.0956 -0.1325 146 GLN C O 2948 C CB . GLN C 122 ? 1.6935 1.4041 1.8189 0.1252 -0.1052 -0.1692 146 GLN C CB 2949 C CG . GLN C 122 ? 1.6702 1.3980 1.7954 0.1136 -0.1127 -0.1825 146 GLN C CG 2950 C CD . GLN C 122 ? 1.6006 1.3518 1.7151 0.1074 -0.1051 -0.1725 146 GLN C CD 2951 O OE1 . GLN C 122 ? 1.5648 1.3232 1.6958 0.0907 -0.1072 -0.1726 146 GLN C OE1 2952 N NE2 . GLN C 122 ? 1.5842 1.3492 1.6723 0.1215 -0.0963 -0.1644 146 GLN C NE2 2953 N N . ASP C 123 ? 1.6658 1.3317 1.8756 0.0795 -0.1095 -0.1517 147 ASP C N 2954 C CA . ASP C 123 ? 1.6408 1.2992 1.8898 0.0550 -0.1113 -0.1463 147 ASP C CA 2955 C C . ASP C 123 ? 1.5917 1.2705 1.8464 0.0467 -0.1220 -0.1674 147 ASP C C 2956 O O . ASP C 123 ? 1.5253 1.2133 1.8078 0.0269 -0.1201 -0.1609 147 ASP C O 2957 C CB . ASP C 123 ? 1.6665 1.2908 1.9411 0.0517 -0.1152 -0.1438 147 ASP C CB 2958 C CG . ASP C 123 ? 1.6314 1.2473 1.9499 0.0253 -0.1120 -0.1283 147 ASP C CG 2959 O OD1 . ASP C 123 ? 1.5583 1.1923 1.8869 0.0108 -0.1021 -0.1115 147 ASP C OD1 2960 O OD2 . ASP C 123 ? 1.6694 1.2612 2.0132 0.0190 -0.1187 -0.1327 147 ASP C OD2 2961 N N . VAL C 124 ? 1.6249 1.3126 1.8544 0.0627 -0.1328 -0.1909 148 VAL C N 2962 C CA . VAL C 124 ? 1.6589 1.3643 1.8947 0.0582 -0.1459 -0.2109 148 VAL C CA 2963 C C . VAL C 124 ? 1.6480 1.3818 1.8857 0.0473 -0.1415 -0.2052 148 VAL C C 2964 O O . VAL C 124 ? 1.6095 1.3555 1.8703 0.0365 -0.1499 -0.2144 148 VAL C O 2965 C CB . VAL C 124 ? 1.8438 1.5582 2.0442 0.0806 -0.1565 -0.2333 148 VAL C CB 2966 C CG1 . VAL C 124 ? 1.8184 1.5543 1.9770 0.0952 -0.1473 -0.2275 148 VAL C CG1 2967 C CG2 . VAL C 124 ? 1.8463 1.5750 2.0574 0.0778 -0.1729 -0.2540 148 VAL C CG2 2968 N N . THR C 125 ? 1.6641 1.4089 1.8797 0.0507 -0.1290 -0.1910 149 THR C N 2969 C CA . THR C 125 ? 1.6336 1.4039 1.8477 0.0424 -0.1248 -0.1871 149 THR C CA 2970 C C . THR C 125 ? 1.6007 1.3740 1.8051 0.0397 -0.1093 -0.1669 149 THR C C 2971 O O . THR C 125 ? 1.6246 1.3835 1.8183 0.0482 -0.1025 -0.1560 149 THR C O 2972 C CB . THR C 125 ? 1.6047 1.3975 1.7859 0.0573 -0.1331 -0.2032 149 THR C CB 2973 O OG1 . THR C 125 ? 1.5523 1.3675 1.7375 0.0487 -0.1309 -0.2007 149 THR C OG1 2974 C CG2 . THR C 125 ? 1.5974 1.3925 1.7353 0.0770 -0.1270 -0.2005 149 THR C CG2 2975 N N . ARG C 126 ? 1.5265 1.3190 1.7368 0.0289 -0.1043 -0.1626 150 ARG C N 2976 C CA . ARG C 126 ? 1.4611 1.2727 1.6478 0.0281 -0.0882 -0.1417 150 ARG C CA 2977 C C . ARG C 126 ? 1.4644 1.2885 1.6090 0.0465 -0.0905 -0.1507 150 ARG C C 2978 O O . ARG C 126 ? 1.5058 1.3313 1.6424 0.0558 -0.1036 -0.1722 150 ARG C O 2979 C CB . ARG C 126 ? 1.3997 1.2345 1.6023 0.0106 -0.0793 -0.1312 150 ARG C CB 2980 C CG . ARG C 126 ? 1.4037 1.2330 1.6486 -0.0091 -0.0732 -0.1183 150 ARG C CG 2981 C CD . ARG C 126 ? 1.3813 1.2400 1.6343 -0.0226 -0.0609 -0.1065 150 ARG C CD 2982 N NE . ARG C 126 ? 1.4056 1.2647 1.6992 -0.0417 -0.0522 -0.0915 150 ARG C NE 2983 C CZ . ARG C 126 ? 1.4446 1.3017 1.7818 -0.0537 -0.0601 -0.1026 150 ARG C CZ 2984 N NH1 . ARG C 126 ? 1.4380 1.2926 1.7822 -0.0472 -0.0792 -0.1311 150 ARG C NH1 2985 N NH2 . ARG C 126 ? 1.4820 1.3416 1.8566 -0.0721 -0.0489 -0.0844 150 ARG C NH2 2986 N N . GLU C 127 ? 1.4181 1.2537 1.5365 0.0514 -0.0780 -0.1330 151 GLU C N 2987 C CA . GLU C 127 ? 1.3804 1.2318 1.4624 0.0648 -0.0766 -0.1359 151 GLU C CA 2988 C C . GLU C 127 ? 1.1129 0.9860 1.1824 0.0558 -0.0623 -0.1154 151 GLU C C 2989 O O . GLU C 127 ? 1.0467 0.9228 1.1285 0.0438 -0.0530 -0.0982 151 GLU C O 2990 C CB . GLU C 127 ? 1.5783 1.4216 1.6394 0.0845 -0.0783 -0.1403 151 GLU C CB 2991 C CG . GLU C 127 ? 1.7319 1.5679 1.7994 0.0849 -0.0699 -0.1233 151 GLU C CG 2992 C CD . GLU C 127 ? 1.8705 1.7009 1.9195 0.1073 -0.0720 -0.1305 151 GLU C CD 2993 O OE1 . GLU C 127 ? 1.8118 1.6575 1.8331 0.1201 -0.0714 -0.1368 151 GLU C OE1 2994 O OE2 . GLU C 127 ? 2.0074 1.8176 2.0698 0.1130 -0.0739 -0.1297 151 GLU C OE2 2995 N N . ALA C 128 ? 0.9321 0.8195 0.9764 0.0620 -0.0613 -0.1173 152 ALA C N 2996 C CA . ALA C 128 ? 0.7501 0.6555 0.7844 0.0527 -0.0506 -0.1029 152 ALA C CA 2997 C C . ALA C 128 ? 0.6604 0.5771 0.6683 0.0607 -0.0439 -0.0931 152 ALA C C 2998 O O . ALA C 128 ? 0.6267 0.5435 0.6163 0.0748 -0.0474 -0.1003 152 ALA C O 2999 C CB . ALA C 128 ? 0.6621 0.5737 0.6968 0.0494 -0.0549 -0.1120 152 ALA C CB 3000 N N . ALA C 129 ? 0.6598 0.5885 0.6665 0.0515 -0.0341 -0.0766 153 ALA C N 3001 C CA . ALA C 129 ? 0.6531 0.5971 0.6407 0.0541 -0.0277 -0.0667 153 ALA C CA 3002 C C . ALA C 129 ? 0.5680 0.5188 0.5474 0.0466 -0.0262 -0.0674 153 ALA C C 3003 O O . ALA C 129 ? 0.5030 0.4593 0.4887 0.0341 -0.0224 -0.0627 153 ALA C O 3004 C CB . ALA C 129 ? 0.6610 0.6158 0.6524 0.0484 -0.0207 -0.0507 153 ALA C CB 3005 N N . SER C 130 ? 0.5719 0.5214 0.5363 0.0558 -0.0293 -0.0734 154 SER C N 3006 C CA . SER C 130 ? 0.5370 0.4870 0.4943 0.0516 -0.0297 -0.0750 154 SER C CA 3007 C C . SER C 130 ? 0.4720 0.4298 0.4112 0.0544 -0.0244 -0.0654 154 SER C C 3008 O O . SER C 130 ? 0.5650 0.5275 0.4926 0.0657 -0.0227 -0.0626 154 SER C O 3009 C CB . SER C 130 ? 0.6204 0.5599 0.5785 0.0600 -0.0399 -0.0900 154 SER C CB 3010 O OG . SER C 130 ? 0.7190 0.6519 0.6981 0.0575 -0.0454 -0.0992 154 SER C OG 3011 N N . ASN C 131 ? 0.4250 0.3842 0.3631 0.0440 -0.0213 -0.0605 155 ASN C N 3012 C CA . ASN C 131 ? 0.3757 0.3387 0.3009 0.0438 -0.0167 -0.0506 155 ASN C CA 3013 C C . ASN C 131 ? 0.3960 0.3511 0.3233 0.0334 -0.0170 -0.0510 155 ASN C C 3014 O O . ASN C 131 ? 0.4520 0.4033 0.3898 0.0273 -0.0195 -0.0590 155 ASN C O 3015 C CB . ASN C 131 ? 0.3553 0.3353 0.2822 0.0390 -0.0092 -0.0381 155 ASN C CB 3016 C CG . ASN C 131 ? 0.4125 0.4002 0.3273 0.0441 -0.0033 -0.0270 155 ASN C CG 3017 O OD1 . ASN C 131 ? 0.4139 0.3923 0.3194 0.0450 -0.0034 -0.0245 155 ASN C OD1 3018 N ND2 . ASN C 131 ? 0.4040 0.4100 0.3200 0.0481 0.0026 -0.0188 155 ASN C ND2 3019 N N . GLY C 132 ? 0.3983 0.3507 0.3165 0.0321 -0.0138 -0.0420 156 GLY C N 3020 C CA . GLY C 132 ? 0.4183 0.3584 0.3386 0.0238 -0.0147 -0.0427 156 GLY C CA 3021 C C . GLY C 132 ? 0.4848 0.4240 0.4004 0.0176 -0.0091 -0.0283 156 GLY C C 3022 O O . GLY C 132 ? 0.5722 0.5209 0.4798 0.0234 -0.0041 -0.0172 156 GLY C O 3023 N N . VAL C 133 ? 0.5109 0.4391 0.4327 0.0058 -0.0096 -0.0288 157 VAL C N 3024 C CA . VAL C 133 ? 0.5389 0.4654 0.4631 -0.0047 -0.0046 -0.0152 157 VAL C CA 3025 C C . VAL C 133 ? 0.5934 0.4986 0.5242 -0.0150 -0.0080 -0.0202 157 VAL C C 3026 O O . VAL C 133 ? 0.5766 0.4760 0.5116 -0.0165 -0.0128 -0.0354 157 VAL C O 3027 C CB . VAL C 133 ? 1.2864 1.2377 1.2212 -0.0158 -0.0002 -0.0091 157 VAL C CB 3028 C CG1 . VAL C 133 ? 1.2726 1.2288 1.2177 -0.0273 -0.0045 -0.0213 157 VAL C CG1 3029 C CG2 . VAL C 133 ? 1.3139 1.2696 1.2553 -0.0263 0.0060 0.0074 157 VAL C CG2 3030 N N . LEU C 134 ? 0.6186 0.5118 0.5508 -0.0216 -0.0048 -0.0069 158 LEU C N 3031 C CA . LEU C 134 ? 0.6232 0.4943 0.5653 -0.0342 -0.0081 -0.0109 158 LEU C CA 3032 C C . LEU C 134 ? 0.6293 0.5146 0.5878 -0.0543 -0.0062 -0.0070 158 LEU C C 3033 O O . LEU C 134 ? 0.6198 0.5222 0.5829 -0.0588 0.0006 0.0096 158 LEU C O 3034 C CB . LEU C 134 ? 0.5998 0.4430 0.5361 -0.0293 -0.0071 0.0020 158 LEU C CB 3035 C CG . LEU C 134 ? 0.5049 0.3343 0.4253 -0.0081 -0.0112 -0.0009 158 LEU C CG 3036 C CD1 . LEU C 134 ? 0.5140 0.3193 0.4262 -0.0026 -0.0090 0.0181 158 LEU C CD1 3037 C CD2 . LEU C 134 ? 0.5092 0.3264 0.4345 -0.0049 -0.0191 -0.0227 158 LEU C CD2 3038 N N . ILE C 135 ? 0.6115 0.4923 0.5788 -0.0654 -0.0124 -0.0231 159 ILE C N 3039 C CA . ILE C 135 ? 0.6367 0.5308 0.6206 -0.0850 -0.0141 -0.0232 159 ILE C CA 3040 C C . ILE C 135 ? 0.6730 0.5405 0.6655 -0.0965 -0.0217 -0.0374 159 ILE C C 3041 O O . ILE C 135 ? 0.7290 0.5772 0.7132 -0.0879 -0.0260 -0.0532 159 ILE C O 3042 C CB . ILE C 135 ? 0.6452 0.5722 0.6297 -0.0864 -0.0159 -0.0315 159 ILE C CB 3043 C CG1 . ILE C 135 ? 0.6538 0.5757 0.6276 -0.0781 -0.0205 -0.0511 159 ILE C CG1 3044 C CG2 . ILE C 135 ? 0.6534 0.6053 0.6334 -0.0762 -0.0089 -0.0175 159 ILE C CG2 3045 C CD1 . ILE C 135 ? 0.6495 0.6009 0.6218 -0.0794 -0.0221 -0.0572 159 ILE C CD1 3046 N N . GLN C 136 ? 0.6506 0.5182 0.6618 -0.1157 -0.0236 -0.0327 160 GLN C N 3047 C CA . GLN C 136 ? 0.6970 0.5398 0.7189 -0.1287 -0.0329 -0.0495 160 GLN C CA 3048 C C . GLN C 136 ? 0.6496 0.5151 0.6699 -0.1335 -0.0410 -0.0714 160 GLN C C 3049 O O . GLN C 136 ? 0.6007 0.5022 0.6254 -0.1386 -0.0405 -0.0668 160 GLN C O 3050 C CB . GLN C 136 ? 0.7876 0.6204 0.8341 -0.1495 -0.0329 -0.0360 160 GLN C CB 3051 C CG . GLN C 136 ? 0.8312 0.6328 0.8914 -0.1640 -0.0443 -0.0552 160 GLN C CG 3052 C CD . GLN C 136 ? 0.8454 0.6332 0.9349 -0.1865 -0.0441 -0.0398 160 GLN C CD 3053 O OE1 . GLN C 136 ? 0.8112 0.5789 0.9040 -0.1851 -0.0353 -0.0160 160 GLN C OE1 3054 N NE2 . GLN C 136 ? 0.9110 0.7107 1.0227 -0.2076 -0.0541 -0.0529 160 GLN C NE2 3055 N N . MET C 137 ? 0.6933 0.5390 0.7059 -0.1298 -0.0480 -0.0948 161 MET C N 3056 C CA . MET C 137 ? 0.7626 0.6286 0.7692 -0.1327 -0.0555 -0.1167 161 MET C CA 3057 C C . MET C 137 ? 0.8645 0.7053 0.8791 -0.1442 -0.0669 -0.1391 161 MET C C 3058 O O . MET C 137 ? 0.9441 0.7452 0.9634 -0.1430 -0.0682 -0.1425 161 MET C O 3059 C CB . MET C 137 ? 0.7725 0.6471 0.7577 -0.1136 -0.0516 -0.1265 161 MET C CB 3060 C CG . MET C 137 ? 0.7593 0.6579 0.7376 -0.1027 -0.0426 -0.1085 161 MET C CG 3061 S SD . MET C 137 ? 0.6627 0.5704 0.6231 -0.0842 -0.0382 -0.1197 161 MET C SD 3062 C CE . MET C 137 ? 1.0602 0.9992 1.0129 -0.0908 -0.0432 -0.1333 161 MET C CE 3063 N N . GLU C 138 ? 0.8924 0.7563 0.9081 -0.1542 -0.0763 -0.1550 162 GLU C N 3064 C CA . GLU C 138 ? 0.9404 0.7847 0.9595 -0.1632 -0.0894 -0.1829 162 GLU C CA 3065 C C . GLU C 138 ? 0.8721 0.7250 0.8645 -0.1470 -0.0906 -0.2066 162 GLU C C 3066 O O . GLU C 138 ? 0.7753 0.6545 0.7514 -0.1335 -0.0819 -0.1986 162 GLU C O 3067 C CB . GLU C 138 ? 1.0234 0.8907 1.0616 -0.1851 -0.1011 -0.1871 162 GLU C CB 3068 C CG . GLU C 138 ? 1.0980 0.9598 1.1680 -0.2036 -0.0990 -0.1637 162 GLU C CG 3069 C CD . GLU C 138 ? 1.2398 1.0485 1.3251 -0.2108 -0.1004 -0.1645 162 GLU C CD 3070 O OE1 . GLU C 138 ? 1.3437 1.1236 1.4215 -0.2092 -0.1097 -0.1897 162 GLU C OE1 3071 O OE2 . GLU C 138 ? 1.2184 1.0148 1.3188 -0.2154 -0.0908 -0.1371 162 GLU C OE2 3072 N N . LYS C 139 ? 0.9178 0.7489 0.9023 -0.1452 -0.0993 -0.2288 163 LYS C N 3073 C CA . LYS C 139 ? 0.8637 0.7066 0.8193 -0.1272 -0.0975 -0.2445 163 LYS C CA 3074 C C . LYS C 139 ? 0.7708 0.6615 0.7150 -0.1283 -0.1001 -0.2452 163 LYS C C 3075 O O . LYS C 139 ? 0.7042 0.6116 0.6590 -0.1434 -0.1105 -0.2447 163 LYS C O 3076 C CB . LYS C 139 ? 0.9023 0.7172 0.8489 -0.1255 -0.1050 -0.2643 163 LYS C CB 3077 C CG . LYS C 139 ? 0.9237 0.7459 0.8433 -0.1043 -0.0990 -0.2794 163 LYS C CG 3078 C CD . LYS C 139 ? 0.9906 0.7996 0.8985 -0.1046 -0.1081 -0.3023 163 LYS C CD 3079 C CE . LYS C 139 ? 1.0451 0.8053 0.9634 -0.1055 -0.1093 -0.3093 163 LYS C CE 3080 N NZ . LYS C 139 ? 1.0815 0.8306 0.9840 -0.0836 -0.1012 -0.3229 163 LYS C NZ 3081 N N . GLY C 140 ? 0.7659 0.6798 0.6900 -0.1124 -0.0903 -0.2446 164 GLY C N 3082 C CA . GLY C 140 ? 0.7680 0.7259 0.6773 -0.1110 -0.0911 -0.2431 164 GLY C CA 3083 C C . GLY C 140 ? 0.7560 0.7415 0.6755 -0.1184 -0.0867 -0.2215 164 GLY C C 3084 O O . GLY C 140 ? 0.7607 0.7823 0.6691 -0.1167 -0.0875 -0.2150 164 GLY C O 3085 N N . ASP C 141 ? 0.7528 0.7192 0.6915 -0.1218 -0.0806 -0.2020 165 ASP C N 3086 C CA . ASP C 141 ? 0.7357 0.7238 0.6822 -0.1218 -0.0734 -0.1741 165 ASP C CA 3087 C C . ASP C 141 ? 0.7028 0.7025 0.6335 -0.1048 -0.0612 -0.1646 165 ASP C C 3088 O O . ASP C 141 ? 0.7121 0.6936 0.6360 -0.0940 -0.0548 -0.1715 165 ASP C O 3089 C CB . ASP C 141 ? 0.7922 0.7582 0.7604 -0.1284 -0.0696 -0.1566 165 ASP C CB 3090 C CG . ASP C 141 ? 0.8641 0.8311 0.8555 -0.1487 -0.0794 -0.1558 165 ASP C CG 3091 O OD1 . ASP C 141 ? 0.8791 0.8723 0.8720 -0.1575 -0.0898 -0.1651 165 ASP C OD1 3092 O OD2 . ASP C 141 ? 0.8961 0.8396 0.9052 -0.1559 -0.0765 -0.1443 165 ASP C OD2 3093 N N . ARG C 142 ? 0.6832 0.7133 0.6114 -0.1026 -0.0582 -0.1481 166 ARG C N 3094 C CA . ARG C 142 ? 0.7209 0.7638 0.6366 -0.0890 -0.0478 -0.1383 166 ARG C CA 3095 C C . ARG C 142 ? 0.6643 0.7028 0.5916 -0.0844 -0.0397 -0.1166 166 ARG C C 3096 O O . ARG C 142 ? 0.7123 0.7614 0.6510 -0.0897 -0.0417 -0.1030 166 ARG C O 3097 C CB . ARG C 142 ? 0.8079 0.8858 0.7097 -0.0875 -0.0507 -0.1356 166 ARG C CB 3098 C CG . ARG C 142 ? 1.0064 1.0931 0.8915 -0.0898 -0.0597 -0.1588 166 ARG C CG 3099 C CD . ARG C 142 ? 1.1481 1.2722 1.0165 -0.0870 -0.0637 -0.1535 166 ARG C CD 3100 N NE . ARG C 142 ? 1.2427 1.3791 1.0984 -0.0743 -0.0506 -0.1375 166 ARG C NE 3101 C CZ . ARG C 142 ? 1.3444 1.4843 1.1809 -0.0650 -0.0424 -0.1451 166 ARG C CZ 3102 N NH1 . ARG C 142 ? 1.3362 1.4684 1.1609 -0.0643 -0.0461 -0.1708 166 ARG C NH1 3103 N NH2 . ARG C 142 ? 1.3869 1.5382 1.2175 -0.0560 -0.0299 -0.1269 166 ARG C NH2 3104 N N . ALA C 143 ? 0.5735 0.5986 0.4986 -0.0738 -0.0312 -0.1148 167 ALA C N 3105 C CA . ALA C 143 ? 0.5118 0.5323 0.4452 -0.0674 -0.0249 -0.0981 167 ALA C CA 3106 C C . ALA C 143 ? 0.4656 0.4985 0.3937 -0.0580 -0.0177 -0.0917 167 ALA C C 3107 O O . ALA C 143 ? 0.5420 0.5748 0.4637 -0.0535 -0.0137 -0.1010 167 ALA C O 3108 C CB . ALA C 143 ? 0.4877 0.4791 0.4274 -0.0639 -0.0235 -0.1010 167 ALA C CB 3109 N N . TYR C 144 ? 0.3981 0.4415 0.3308 -0.0549 -0.0154 -0.0756 168 TYR C N 3110 C CA . TYR C 144 ? 0.3926 0.4448 0.3239 -0.0476 -0.0091 -0.0671 168 TYR C CA 3111 C C . TYR C 144 ? 0.3928 0.4464 0.3325 -0.0427 -0.0080 -0.0516 168 TYR C C 3112 O O . TYR C 144 ? 0.4088 0.4638 0.3532 -0.0444 -0.0113 -0.0467 168 TYR C O 3113 C CB . TYR C 144 ? 0.4231 0.4982 0.3416 -0.0491 -0.0088 -0.0661 168 TYR C CB 3114 C CG . TYR C 144 ? 0.4389 0.5331 0.3549 -0.0538 -0.0163 -0.0599 168 TYR C CG 3115 C CD1 . TYR C 144 ? 0.4310 0.5286 0.3449 -0.0627 -0.0249 -0.0719 168 TYR C CD1 3116 C CD2 . TYR C 144 ? 0.4929 0.6014 0.4112 -0.0493 -0.0156 -0.0425 168 TYR C CD2 3117 C CE1 . TYR C 144 ? 0.4216 0.5406 0.3375 -0.0680 -0.0331 -0.0670 168 TYR C CE1 3118 C CE2 . TYR C 144 ? 0.4878 0.6177 0.4065 -0.0521 -0.0232 -0.0368 168 TYR C CE2 3119 C CZ . TYR C 144 ? 0.4575 0.5946 0.3758 -0.0620 -0.0321 -0.0492 168 TYR C CZ 3120 O OH . TYR C 144 ? 0.5052 0.6675 0.4280 -0.0658 -0.0410 -0.0443 168 TYR C OH 3121 N N . LEU C 145 ? 0.3696 0.4231 0.3129 -0.0364 -0.0029 -0.0443 169 LEU C N 3122 C CA . LEU C 145 ? 0.3091 0.3600 0.2605 -0.0297 -0.0024 -0.0325 169 LEU C CA 3123 C C . LEU C 145 ? 0.3592 0.4274 0.3081 -0.0278 -0.0018 -0.0185 169 LEU C C 3124 O O . LEU C 145 ? 0.3532 0.4304 0.2961 -0.0291 0.0016 -0.0151 169 LEU C O 3125 C CB . LEU C 145 ? 0.2812 0.3155 0.2423 -0.0240 0.0007 -0.0348 169 LEU C CB 3126 C CG . LEU C 145 ? 0.3586 0.3771 0.3220 -0.0233 -0.0008 -0.0479 169 LEU C CG 3127 C CD1 . LEU C 145 ? 0.3570 0.3642 0.3328 -0.0176 0.0001 -0.0508 169 LEU C CD1 3128 C CD2 . LEU C 145 ? 0.4498 0.4617 0.4098 -0.0220 -0.0048 -0.0484 169 LEU C CD2 3129 N N . LYS C 146 ? 0.3961 0.4704 0.3493 -0.0234 -0.0046 -0.0096 170 LYS C N 3130 C CA . LYS C 146 ? 0.3974 0.4873 0.3499 -0.0186 -0.0053 0.0050 170 LYS C CA 3131 C C . LYS C 146 ? 0.4194 0.4980 0.3823 -0.0076 -0.0040 0.0135 170 LYS C C 3132 O O . LYS C 146 ? 0.4205 0.4906 0.3890 -0.0030 -0.0047 0.0091 170 LYS C O 3133 C CB . LYS C 146 ? 0.4494 0.5634 0.3997 -0.0220 -0.0116 0.0074 170 LYS C CB 3134 C CG . LYS C 146 ? 0.5189 0.6542 0.4649 -0.0171 -0.0142 0.0216 170 LYS C CG 3135 C CD . LYS C 146 ? 0.6044 0.7666 0.5547 -0.0188 -0.0220 0.0240 170 LYS C CD 3136 C CE . LYS C 146 ? 0.7135 0.8921 0.6676 -0.0070 -0.0242 0.0411 170 LYS C CE 3137 N NZ . LYS C 146 ? 0.7685 0.9788 0.7313 -0.0083 -0.0323 0.0432 170 LYS C NZ 3138 N N . LEU C 147 ? 0.4705 0.5487 0.4351 -0.0026 -0.0019 0.0261 171 LEU C N 3139 C CA . LEU C 147 ? 0.4615 0.5265 0.4370 0.0088 -0.0018 0.0338 171 LEU C CA 3140 C C . LEU C 147 ? 0.4621 0.5465 0.4379 0.0169 -0.0057 0.0436 171 LEU C C 3141 O O . LEU C 147 ? 0.5622 0.6608 0.5345 0.0198 -0.0071 0.0573 171 LEU C O 3142 C CB . LEU C 147 ? 0.4833 0.5355 0.4642 0.0098 0.0025 0.0447 171 LEU C CB 3143 C CG . LEU C 147 ? 0.5454 0.5741 0.5413 0.0201 0.0018 0.0485 171 LEU C CG 3144 C CD1 . LEU C 147 ? 0.5805 0.5881 0.5851 0.0201 0.0005 0.0311 171 LEU C CD1 3145 C CD2 . LEU C 147 ? 0.5640 0.5825 0.5668 0.0195 0.0061 0.0650 171 LEU C CD2 3146 N N . GLU C 148 ? 0.4417 0.5294 0.4218 0.0215 -0.0072 0.0374 172 GLU C N 3147 C CA . GLU C 148 ? 0.4914 0.6033 0.4760 0.0290 -0.0101 0.0452 172 GLU C CA 3148 C C . GLU C 148 ? 0.4831 0.5886 0.4752 0.0456 -0.0103 0.0563 172 GLU C C 3149 O O . GLU C 148 ? 0.4453 0.5734 0.4417 0.0537 -0.0132 0.0667 172 GLU C O 3150 C CB . GLU C 148 ? 0.5233 0.6409 0.5114 0.0294 -0.0088 0.0369 172 GLU C CB 3151 C CG . GLU C 148 ? 0.6938 0.8137 0.6766 0.0135 -0.0090 0.0273 172 GLU C CG 3152 C CD . GLU C 148 ? 0.8457 0.9964 0.8330 0.0047 -0.0127 0.0302 172 GLU C CD 3153 O OE1 . GLU C 148 ? 0.9232 1.0930 0.9094 0.0023 -0.0178 0.0361 172 GLU C OE1 3154 O OE2 . GLU C 148 ? 0.9046 1.0609 0.8971 -0.0003 -0.0109 0.0269 172 GLU C OE2 3155 N N . ARG C 149 ? 0.5387 0.6133 0.5347 0.0510 -0.0082 0.0533 173 ARG C N 3156 C CA . ARG C 149 ? 0.5403 0.6005 0.5454 0.0672 -0.0090 0.0611 173 ARG C CA 3157 C C . ARG C 149 ? 0.4790 0.5042 0.4904 0.0657 -0.0077 0.0602 173 ARG C C 3158 O O . ARG C 149 ? 0.4859 0.4979 0.4969 0.0554 -0.0063 0.0488 173 ARG C O 3159 C CB . ARG C 149 ? 0.6221 0.6825 0.6316 0.0817 -0.0090 0.0520 173 ARG C CB 3160 C CG . ARG C 149 ? 0.6072 0.6574 0.6260 0.1018 -0.0106 0.0584 173 ARG C CG 3161 C CD . ARG C 149 ? 0.6244 0.6729 0.6446 0.1175 -0.0094 0.0455 173 ARG C CD 3162 N NE . ARG C 149 ? 0.8017 0.8381 0.8311 0.1391 -0.0114 0.0490 173 ARG C NE 3163 C CZ . ARG C 149 ? 0.9931 0.9915 1.0295 0.1449 -0.0145 0.0472 173 ARG C CZ 3164 N NH1 . ARG C 149 ? 0.9987 0.9715 1.0359 0.1297 -0.0154 0.0428 173 ARG C NH1 3165 N NH2 . ARG C 149 ? 1.1292 1.1153 1.1747 0.1661 -0.0168 0.0498 173 ARG C NH2 3166 N N . GLY C 150 ? 0.5062 0.5167 0.5263 0.0761 -0.0087 0.0728 174 GLY C N 3167 C CA . GLY C 150 ? 0.5312 0.5073 0.5631 0.0736 -0.0076 0.0742 174 GLY C CA 3168 C C . GLY C 150 ? 0.5204 0.4989 0.5495 0.0571 -0.0026 0.0846 174 GLY C C 3169 O O . GLY C 150 ? 0.5113 0.5176 0.5262 0.0505 -0.0008 0.0917 174 GLY C O 3170 N N . ASN C 151 ? 0.5362 0.4872 0.5799 0.0507 -0.0002 0.0845 175 ASN C N 3171 C CA . ASN C 151 ? 0.5512 0.5057 0.5956 0.0353 0.0070 0.0941 175 ASN C CA 3172 C C . ASN C 151 ? 0.6021 0.5382 0.6627 0.0248 0.0078 0.0780 175 ASN C C 3173 O O . ASN C 151 ? 0.6172 0.5333 0.6887 0.0303 0.0014 0.0609 175 ASN C O 3174 C CB . ASN C 151 ? 0.5692 0.5137 0.6201 0.0373 0.0112 0.1213 175 ASN C CB 3175 C CG . ASN C 151 ? 0.6584 0.5634 0.7339 0.0438 0.0082 0.1228 175 ASN C CG 3176 O OD1 . ASN C 151 ? 0.7056 0.5885 0.8009 0.0349 0.0083 0.1118 175 ASN C OD1 3177 N ND2 . ASN C 151 ? 0.7351 0.6311 0.8114 0.0597 0.0043 0.1355 175 ASN C ND2 3178 N N . LEU C 152 ? 0.5904 0.5359 0.6524 0.0109 0.0155 0.0829 176 LEU C N 3179 C CA . LEU C 152 ? 0.5669 0.5018 0.6475 0.0002 0.0166 0.0687 176 LEU C CA 3180 C C . LEU C 152 ? 0.6440 0.5650 0.7482 -0.0091 0.0241 0.0859 176 LEU C C 3181 O O . LEU C 152 ? 0.6616 0.5920 0.7762 -0.0216 0.0315 0.0857 176 LEU C O 3182 C CB . LEU C 152 ? 0.5043 0.4640 0.5710 -0.0079 0.0202 0.0576 176 LEU C CB 3183 C CG . LEU C 152 ? 0.4842 0.4545 0.5319 -0.0017 0.0134 0.0406 176 LEU C CG 3184 C CD1 . LEU C 152 ? 0.4474 0.4376 0.4834 -0.0099 0.0171 0.0313 176 LEU C CD1 3185 C CD2 . LEU C 152 ? 0.4998 0.4502 0.5572 0.0054 0.0046 0.0221 176 LEU C CD2 3186 N N . MET C 153 ? 0.6843 0.5836 0.7988 -0.0027 0.0228 0.1019 177 MET C N 3187 C CA . MET C 153 ? 0.7058 0.5853 0.8480 -0.0122 0.0293 0.1197 177 MET C CA 3188 C C . MET C 153 ? 0.6924 0.5518 0.8662 -0.0210 0.0237 0.0984 177 MET C C 3189 O O . MET C 153 ? 0.7135 0.5607 0.8879 -0.0129 0.0116 0.0736 177 MET C O 3190 C CB . MET C 153 ? 0.7761 0.6304 0.9237 -0.0014 0.0270 0.1399 177 MET C CB 3191 C CG . MET C 153 ? 0.8106 0.6879 0.9289 0.0076 0.0315 0.1635 177 MET C CG 3192 S SD . MET C 153 ? 1.6729 1.5815 1.7785 -0.0057 0.0483 0.1889 177 MET C SD 3193 C CE . MET C 153 ? 1.2162 1.1679 1.2797 0.0015 0.0448 0.1779 177 MET C CE 3194 N N . GLY C 154 ? 0.6954 0.5546 0.8955 -0.0370 0.0325 0.1082 178 GLY C N 3195 C CA . GLY C 154 ? 0.6810 0.5294 0.9143 -0.0476 0.0269 0.0875 178 GLY C CA 3196 C C . GLY C 154 ? 0.6096 0.4899 0.8333 -0.0527 0.0294 0.0706 178 GLY C C 3197 O O . GLY C 154 ? 0.5680 0.4474 0.8161 -0.0600 0.0240 0.0515 178 GLY C O 3198 N N . GLY C 155 ? 0.6049 0.5132 0.7936 -0.0480 0.0363 0.0766 179 GLY C N 3199 C CA . GLY C 155 ? 0.6062 0.5425 0.7833 -0.0511 0.0391 0.0617 179 GLY C CA 3200 C C . GLY C 155 ? 0.5442 0.4768 0.7075 -0.0414 0.0253 0.0342 179 GLY C C 3201 O O . GLY C 155 ? 0.5562 0.4663 0.7206 -0.0325 0.0140 0.0252 179 GLY C O 3202 N N . TRP C 156 ? 0.4702 0.4246 0.6196 -0.0420 0.0268 0.0216 180 TRP C N 3203 C CA . TRP C 156 ? 0.4276 0.3794 0.5641 -0.0335 0.0152 -0.0019 180 TRP C CA 3204 C C . TRP C 156 ? 0.4112 0.3751 0.5618 -0.0388 0.0147 -0.0178 180 TRP C C 3205 O O . TRP C 156 ? 0.3755 0.3506 0.5078 -0.0344 0.0129 -0.0295 180 TRP C O 3206 C CB . TRP C 156 ? 0.3696 0.3335 0.4698 -0.0258 0.0155 -0.0004 180 TRP C CB 3207 C CG . TRP C 156 ? 0.3254 0.3144 0.4096 -0.0310 0.0259 0.0070 180 TRP C CG 3208 C CD1 . TRP C 156 ? 0.3173 0.3203 0.3883 -0.0311 0.0263 -0.0061 180 TRP C CD1 3209 C CD2 . TRP C 156 ? 0.3408 0.3430 0.4184 -0.0351 0.0369 0.0284 180 TRP C CD2 3210 N NE1 . TRP C 156 ? 0.3623 0.3863 0.4192 -0.0350 0.0363 0.0030 180 TRP C NE1 3211 C CE2 . TRP C 156 ? 0.3695 0.3953 0.4284 -0.0372 0.0431 0.0246 180 TRP C CE2 3212 C CE3 . TRP C 156 ? 0.4242 0.4196 0.5087 -0.0360 0.0419 0.0509 180 TRP C CE3 3213 C CZ2 . TRP C 156 ? 0.3774 0.4233 0.4218 -0.0396 0.0539 0.0410 180 TRP C CZ2 3214 C CZ3 . TRP C 156 ? 0.4682 0.4833 0.5386 -0.0387 0.0531 0.0704 180 TRP C CZ3 3215 C CH2 . TRP C 156 ? 0.4258 0.4673 0.4749 -0.0401 0.0590 0.0647 180 TRP C CH2 3216 N N . LYS C 157 ? 0.3998 0.3610 0.5863 -0.0482 0.0161 -0.0177 181 LYS C N 3217 C CA . LYS C 157 ? 0.4019 0.3771 0.6100 -0.0529 0.0148 -0.0324 181 LYS C CA 3218 C C . LYS C 157 ? 0.4277 0.3950 0.6272 -0.0423 -0.0013 -0.0568 181 LYS C C 3219 O O . LYS C 157 ? 0.4942 0.4414 0.6829 -0.0337 -0.0122 -0.0632 181 LYS C O 3220 C CB . LYS C 157 ? 0.4608 0.4327 0.7154 -0.0658 0.0164 -0.0283 181 LYS C CB 3221 C CG . LYS C 157 ? 0.4883 0.4808 0.7723 -0.0715 0.0157 -0.0422 181 LYS C CG 3222 C CD . LYS C 157 ? 0.5334 0.5255 0.8688 -0.0871 0.0184 -0.0356 181 LYS C CD 3223 C CE . LYS C 157 ? 0.5681 0.5856 0.9379 -0.0924 0.0166 -0.0503 181 LYS C CE 3224 N NZ . LYS C 157 ? 0.6322 0.6483 1.0587 -0.1091 0.0155 -0.0472 181 LYS C NZ 3225 N N . TYR C 158 ? 0.3832 0.3676 0.5857 -0.0414 -0.0020 -0.0691 182 TYR C N 3226 C CA . TYR C 158 ? 0.3499 0.3300 0.5424 -0.0303 -0.0162 -0.0898 182 TYR C CA 3227 C C . TYR C 158 ? 0.3200 0.2957 0.4706 -0.0198 -0.0171 -0.0897 182 TYR C C 3228 O O . TYR C 158 ? 0.3184 0.2895 0.4557 -0.0099 -0.0271 -0.1028 182 TYR C O 3229 C CB . TYR C 158 ? 0.3051 0.2662 0.5138 -0.0265 -0.0327 -0.1035 182 TYR C CB 3230 C CG . TYR C 158 ? 0.3372 0.3015 0.5932 -0.0384 -0.0353 -0.1071 182 TYR C CG 3231 C CD1 . TYR C 158 ? 0.3216 0.3073 0.6037 -0.0421 -0.0369 -0.1171 182 TYR C CD1 3232 C CD2 . TYR C 158 ? 0.4188 0.3645 0.6966 -0.0458 -0.0366 -0.1005 182 TYR C CD2 3233 C CE1 . TYR C 158 ? 0.3718 0.3642 0.7025 -0.0546 -0.0394 -0.1202 182 TYR C CE1 3234 C CE2 . TYR C 158 ? 0.4902 0.4377 0.8162 -0.0592 -0.0393 -0.1032 182 TYR C CE2 3235 C CZ . TYR C 158 ? 0.4766 0.4493 0.8300 -0.0644 -0.0406 -0.1131 182 TYR C CZ 3236 O OH . TYR C 158 ? 0.5246 0.5028 0.9314 -0.0794 -0.0432 -0.1155 182 TYR C OH 3237 N N . SER C 159 ? 0.3251 0.3032 0.4559 -0.0222 -0.0069 -0.0741 183 SER C N 3238 C CA . SER C 159 ? 0.3652 0.3424 0.4619 -0.0152 -0.0073 -0.0733 183 SER C CA 3239 C C . SER C 159 ? 0.3206 0.3097 0.4087 -0.0142 -0.0049 -0.0812 183 SER C C 3240 O O . SER C 159 ? 0.3657 0.3693 0.4690 -0.0195 0.0021 -0.0820 183 SER C O 3241 C CB . SER C 159 ? 0.4424 0.4233 0.5236 -0.0183 0.0012 -0.0558 183 SER C CB 3242 O OG . SER C 159 ? 0.4970 0.4639 0.5843 -0.0161 -0.0019 -0.0485 183 SER C OG 3243 N N . THR C 160 ? 0.2691 0.2519 0.3344 -0.0069 -0.0101 -0.0866 184 THR C N 3244 C CA . THR C 160 ? 0.3468 0.3344 0.4039 -0.0046 -0.0094 -0.0946 184 THR C CA 3245 C C . THR C 160 ? 0.3634 0.3475 0.3935 -0.0042 -0.0079 -0.0902 184 THR C C 3246 O O . THR C 160 ? 0.4260 0.4030 0.4436 -0.0019 -0.0108 -0.0841 184 THR C O 3247 C CB . THR C 160 ? 0.4047 0.3850 0.4676 0.0048 -0.0205 -0.1080 184 THR C CB 3248 O OG1 . THR C 160 ? 0.5036 0.4699 0.5470 0.0129 -0.0281 -0.1076 184 THR C OG1 3249 C CG2 . THR C 160 ? 0.3619 0.3468 0.4554 0.0038 -0.0253 -0.1148 184 THR C CG2 3250 N N . PHE C 161 ? 0.3252 0.3151 0.3484 -0.0063 -0.0035 -0.0943 185 PHE C N 3251 C CA . PHE C 161 ? 0.3104 0.2957 0.3126 -0.0077 -0.0038 -0.0929 185 PHE C CA 3252 C C . PHE C 161 ? 0.3353 0.3158 0.3354 -0.0045 -0.0048 -0.1047 185 PHE C C 3253 O O . PHE C 161 ? 0.3646 0.3561 0.3721 -0.0051 0.0007 -0.1113 185 PHE C O 3254 C CB . PHE C 161 ? 0.3348 0.3332 0.3277 -0.0156 0.0028 -0.0844 185 PHE C CB 3255 C CG . PHE C 161 ? 0.3370 0.3329 0.3126 -0.0191 0.0005 -0.0840 185 PHE C CG 3256 C CD1 . PHE C 161 ? 0.3997 0.3811 0.3698 -0.0165 -0.0053 -0.0843 185 PHE C CD1 3257 C CD2 . PHE C 161 ? 0.3041 0.3133 0.2695 -0.0253 0.0040 -0.0830 185 PHE C CD2 3258 C CE1 . PHE C 161 ? 0.4000 0.3797 0.3597 -0.0222 -0.0071 -0.0830 185 PHE C CE1 3259 C CE2 . PHE C 161 ? 0.2930 0.3007 0.2466 -0.0301 0.0000 -0.0847 185 PHE C CE2 3260 C CZ . PHE C 161 ? 0.2933 0.2858 0.2466 -0.0297 -0.0054 -0.0843 185 PHE C CZ 3261 N N . SER C 162 ? 0.2872 0.2514 0.2775 -0.0001 -0.0110 -0.1064 186 SER C N 3262 C CA . SER C 162 ? 0.3435 0.2971 0.3324 0.0049 -0.0134 -0.1166 186 SER C CA 3263 C C . SER C 162 ? 0.3585 0.2951 0.3324 0.0024 -0.0165 -0.1130 186 SER C C 3264 O O . SER C 162 ? 0.3240 0.2588 0.2904 -0.0009 -0.0173 -0.1022 186 SER C O 3265 C CB . SER C 162 ? 0.3122 0.2606 0.3126 0.0163 -0.0198 -0.1225 186 SER C CB 3266 O OG . SER C 162 ? 0.3419 0.2824 0.3366 0.0210 -0.0261 -0.1156 186 SER C OG 3267 N N . GLY C 163 ? 0.4282 0.3526 0.3999 0.0041 -0.0176 -0.1220 187 GLY C N 3268 C CA . GLY C 163 ? 0.4395 0.3440 0.4016 0.0002 -0.0208 -0.1188 187 GLY C CA 3269 C C . GLY C 163 ? 0.4576 0.3441 0.4210 0.0051 -0.0233 -0.1314 187 GLY C C 3270 O O . GLY C 163 ? 0.4855 0.3808 0.4552 0.0102 -0.0207 -0.1443 187 GLY C O 3271 N N . PHE C 164 ? 0.4609 0.3222 0.4196 0.0041 -0.0274 -0.1270 188 PHE C N 3272 C CA . PHE C 164 ? 0.5147 0.3522 0.4754 0.0097 -0.0308 -0.1384 188 PHE C CA 3273 C C . PHE C 164 ? 0.5924 0.4023 0.5493 0.0009 -0.0341 -0.1311 188 PHE C C 3274 O O . PHE C 164 ? 0.5877 0.3974 0.5414 -0.0058 -0.0333 -0.1140 188 PHE C O 3275 C CB . PHE C 164 ? 0.4139 0.2434 0.3800 0.0275 -0.0345 -0.1402 188 PHE C CB 3276 C CG . PHE C 164 ? 0.4909 0.3083 0.4509 0.0332 -0.0385 -0.1230 188 PHE C CG 3277 C CD1 . PHE C 164 ? 0.4611 0.2975 0.4191 0.0358 -0.0383 -0.1146 188 PHE C CD1 3278 C CD2 . PHE C 164 ? 0.5504 0.3366 0.5056 0.0367 -0.0424 -0.1151 188 PHE C CD2 3279 C CE1 . PHE C 164 ? 0.4627 0.2904 0.4109 0.0432 -0.0418 -0.1004 188 PHE C CE1 3280 C CE2 . PHE C 164 ? 0.5649 0.3425 0.5107 0.0434 -0.0447 -0.0972 188 PHE C CE2 3281 C CZ . PHE C 164 ? 0.5028 0.3028 0.4436 0.0474 -0.0444 -0.0907 188 PHE C CZ 3282 N N . LEU C 165 ? 0.6603 0.4475 0.6196 0.0011 -0.0373 -0.1444 189 LEU C N 3283 C CA . LEU C 165 ? 0.6153 0.3705 0.5761 -0.0078 -0.0413 -0.1384 189 LEU C CA 3284 C C . LEU C 165 ? 0.6095 0.3385 0.5696 0.0040 -0.0437 -0.1233 189 LEU C C 3285 O O . LEU C 165 ? 0.5713 0.2869 0.5333 0.0204 -0.0468 -0.1313 189 LEU C O 3286 C CB . LEU C 165 ? 0.6585 0.3945 0.6225 -0.0104 -0.0454 -0.1607 189 LEU C CB 3287 C CG . LEU C 165 ? 0.7431 0.4389 0.7135 -0.0201 -0.0510 -0.1577 189 LEU C CG 3288 C CD1 . LEU C 165 ? 0.7286 0.4333 0.7029 -0.0424 -0.0508 -0.1453 189 LEU C CD1 3289 C CD2 . LEU C 165 ? 0.8271 0.5010 0.8002 -0.0171 -0.0565 -0.1850 189 LEU C CD2 3290 N N . VAL C 166 ? 0.6328 0.3573 0.5900 -0.0032 -0.0418 -0.1008 190 VAL C N 3291 C CA . VAL C 166 ? 0.6651 0.3663 0.6175 0.0082 -0.0432 -0.0827 190 VAL C CA 3292 C C . VAL C 166 ? 0.7492 0.4068 0.7084 0.0066 -0.0476 -0.0840 190 VAL C C 3293 O O . VAL C 166 ? 0.7854 0.4201 0.7437 0.0238 -0.0520 -0.0857 190 VAL C O 3294 C CB . VAL C 166 ? 0.6644 0.3758 0.6100 0.0013 -0.0378 -0.0571 190 VAL C CB 3295 C CG1 . VAL C 166 ? 0.6957 0.3866 0.6311 0.0161 -0.0387 -0.0372 190 VAL C CG1 3296 C CG2 . VAL C 166 ? 0.6172 0.3682 0.5574 0.0025 -0.0342 -0.0581 190 VAL C CG2 3297 N N . PHE C 167 ? 0.7708 0.4168 0.7390 -0.0139 -0.0472 -0.0837 191 PHE C N 3298 C CA . PHE C 167 ? 0.8273 0.4299 0.8061 -0.0187 -0.0527 -0.0905 191 PHE C CA 3299 C C . PHE C 167 ? 0.8259 0.4305 0.8165 -0.0431 -0.0546 -0.1018 191 PHE C C 3300 O O . PHE C 167 ? 0.8129 0.4462 0.8054 -0.0581 -0.0504 -0.0918 191 PHE C O 3301 C CB . PHE C 167 ? 0.8785 0.4460 0.8578 -0.0164 -0.0518 -0.0629 191 PHE C CB 3302 C CG . PHE C 167 ? 0.8982 0.4825 0.8756 -0.0292 -0.0437 -0.0340 191 PHE C CG 3303 C CD1 . PHE C 167 ? 0.9314 0.5170 0.9243 -0.0549 -0.0414 -0.0284 191 PHE C CD1 3304 C CD2 . PHE C 167 ? 0.9348 0.5354 0.8957 -0.0146 -0.0388 -0.0134 191 PHE C CD2 3305 C CE1 . PHE C 167 ? 0.9665 0.5718 0.9601 -0.0654 -0.0324 -0.0013 191 PHE C CE1 3306 C CE2 . PHE C 167 ? 0.9599 0.5782 0.9174 -0.0238 -0.0300 0.0122 191 PHE C CE2 3307 C CZ . PHE C 167 ? 0.9846 0.6063 0.9594 -0.0491 -0.0258 0.0191 191 PHE C CZ 3308 N N . PRO C 168 ? 0.8337 0.4093 0.8327 -0.0458 -0.0619 -0.1245 192 PRO C N 3309 C CA . PRO C 168 ? 0.8544 0.4313 0.8646 -0.0683 -0.0669 -0.1396 192 PRO C CA 3310 C C . PRO C 168 ? 0.9301 0.4807 0.9589 -0.0901 -0.0681 -0.1201 192 PRO C C 3311 O O . PRO C 168 ? 0.9730 0.4991 1.0039 -0.0860 -0.0640 -0.0943 192 PRO C O 3312 C CB . PRO C 168 ? 0.8473 0.4089 0.8543 -0.0586 -0.0708 -0.1688 192 PRO C CB 3313 C CG . PRO C 168 ? 0.8584 0.3896 0.8637 -0.0377 -0.0694 -0.1611 192 PRO C CG 3314 C CD . PRO C 168 ? 0.8306 0.3732 0.8288 -0.0261 -0.0671 -0.1402 192 PRO C CD 3315 N N . LEU C 169 ? 0.9759 0.5335 1.0187 -0.1130 -0.0736 -0.1316 193 LEU C N 3316 C CA . LEU C 169 ? 1.0617 0.5981 1.1291 -0.1375 -0.0752 -0.1149 193 LEU C CA 3317 C C . LEU C 169 ? 1.1627 0.6929 1.2372 -0.1512 -0.0812 -0.1392 193 LEU C C 3318 O O . LEU C 169 ? 1.1799 0.7352 1.2413 -0.1482 -0.0856 -0.1659 193 LEU C O 3319 C CB . LEU C 169 ? 0.9915 0.5729 1.0646 -0.1524 -0.0672 -0.0914 193 LEU C CB 3320 C CG . LEU C 169 ? 0.9122 0.5170 0.9686 -0.1369 -0.0542 -0.0628 193 LEU C CG 3321 C CD1 . LEU C 169 ? 0.8199 0.4737 0.8816 -0.1496 -0.0475 -0.0479 193 LEU C CD1 3322 C CD2 . LEU C 169 ? 0.9713 0.5389 1.0303 -0.1321 -0.0484 -0.0342 193 LEU C CD2 3323 N N . GLY C 170 ? 1.2373 0.7342 1.3302 -0.1659 -0.0813 -0.1282 194 GLY C N 3324 C CA . GLY C 170 ? 1.2974 0.7831 1.3977 -0.1804 -0.0887 -0.1499 194 GLY C CA 3325 C C . GLY C 170 ? 1.3165 0.8276 1.4403 -0.2101 -0.0917 -0.1435 194 GLY C C 3326 O O . GLY C 170 ? 1.3758 0.8771 1.5103 -0.2262 -0.0991 -0.1581 194 GLY C O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 25 ? ? ? A . n A 1 2 THR 2 26 ? ? ? A . n A 1 3 GLY 3 27 ? ? ? A . n A 1 4 GLU 4 28 ? ? ? A . n A 1 5 THR 5 29 ? ? ? A . n A 1 6 GLU 6 30 ? ? ? A . n A 1 7 PRO 7 31 ? ? ? A . n A 1 8 ILE 8 32 ? ? ? A . n A 1 9 VAL 9 33 ? ? ? A . n A 1 10 LEU 10 34 ? ? ? A . n A 1 11 GLU 11 35 ? ? ? A . n A 1 12 GLY 12 36 ? ? ? A . n A 1 13 LYS 13 37 ? ? ? A . n A 1 14 CYS 14 38 ? ? ? A . n A 1 15 LEU 15 39 ? ? ? A . n A 1 16 VAL 16 40 ? ? ? A . n A 1 17 VAL 17 41 ? ? ? A . n A 1 18 CYS 18 42 ? ? ? A . n A 1 19 ASP 19 43 ? ? ? A . n A 1 20 SER 20 44 ? ? ? A . n A 1 21 ASN 21 45 ? ? ? A . n A 1 22 PRO 22 46 ? ? ? A . n A 1 23 THR 23 47 ? ? ? A . n A 1 24 SER 24 48 ? ? ? A . n A 1 25 ASP 25 49 ? ? ? A . n A 1 26 PRO 26 50 ? ? ? A . n A 1 27 THR 27 51 ? ? ? A . n A 1 28 GLY 28 52 ? ? ? A . n A 1 29 THR 29 53 ? ? ? A . n A 1 30 ALA 30 54 ? ? ? A . n A 1 31 LEU 31 55 ? ? ? A . n A 1 32 GLY 32 56 ? ? ? A . n A 1 33 ILE 33 57 ? ? ? A . n A 1 34 SER 34 58 ? ? ? A . n A 1 35 SER 35 59 59 SER SER A . n A 1 36 ALA 36 60 60 ALA ALA A . n A 1 37 LYS 37 61 61 LYS LYS A . n A 1 38 VAL 38 62 62 VAL VAL A . n A 1 39 ALA 39 63 63 ALA ALA A . n A 1 40 PHE 40 64 64 PHE PHE A . n A 1 41 SER 41 65 65 SER SER A . n A 1 42 ALA 42 66 66 ALA ALA A . n A 1 43 ILE 43 67 67 ILE ILE A . n A 1 44 ARG 44 68 68 ARG ARG A . n A 1 45 SER 45 69 69 SER SER A . n A 1 46 THR 46 70 70 THR THR A . n A 1 47 ASN 47 71 71 ASN ASN A . n A 1 48 HIS 48 72 72 HIS HIS A . n A 1 49 GLU 49 73 73 GLU GLU A . n A 1 50 PRO 50 74 74 PRO PRO A . n A 1 51 SER 51 75 75 SER SER A . n A 1 52 GLU 52 76 76 GLU GLU A . n A 1 53 MET 53 77 77 MET MET A . n A 1 54 SER 54 78 78 SER SER A . n A 1 55 ASN 55 79 79 ASN ASN A . n A 1 56 ARG 56 80 80 ARG ARG A . n A 1 57 THR 57 81 81 THR THR A . n A 1 58 MET 58 82 82 MET MET A . n A 1 59 ILE 59 83 83 ILE ILE A . n A 1 60 ILE 60 84 84 ILE ILE A . n A 1 61 TYR 61 85 85 TYR TYR A . n A 1 62 PHE 62 86 86 PHE PHE A . n A 1 63 ASP 63 87 87 ASP ASP A . n A 1 64 GLN 64 88 88 GLN GLN A . n A 1 65 VAL 65 89 89 VAL VAL A . n A 1 66 LEU 66 90 90 LEU LEU A . n A 1 67 VAL 67 91 91 VAL VAL A . n A 1 68 ASN 68 92 92 ASN ASN A . n A 1 69 ILE 69 93 93 ILE ILE A . n A 1 70 GLY 70 94 94 GLY GLY A . n A 1 71 ASN 71 95 95 ASN ASN A . n A 1 72 ASN 72 96 96 ASN ASN A . n A 1 73 PHE 73 97 97 PHE PHE A . n A 1 74 ASP 74 98 98 ASP ASP A . n A 1 75 SER 75 99 99 SER SER A . n A 1 76 GLU 76 100 100 GLU GLU A . n A 1 77 ARG 77 101 101 ARG ARG A . n A 1 78 SER 78 102 102 SER SER A . n A 1 79 THR 79 103 103 THR THR A . n A 1 80 PHE 80 104 104 PHE PHE A . n A 1 81 ILE 81 105 105 ILE ILE A . n A 1 82 ALA 82 106 106 ALA ALA A . n A 1 83 PRO 83 107 107 PRO PRO A . n A 1 84 ARG 84 108 108 ARG ARG A . n A 1 85 LYS 85 109 109 LYS LYS A . n A 1 86 GLY 86 110 110 GLY GLY A . n A 1 87 ILE 87 111 111 ILE ILE A . n A 1 88 TYR 88 112 112 TYR TYR A . n A 1 89 SER 89 113 113 SER SER A . n A 1 90 PHE 90 114 114 PHE PHE A . n A 1 91 ASN 91 115 115 ASN ASN A . n A 1 92 PHE 92 116 116 PHE PHE A . n A 1 93 HIS 93 117 117 HIS HIS A . n A 1 94 VAL 94 118 118 VAL VAL A . n A 1 95 VAL 95 119 119 VAL VAL A . n A 1 96 LYS 96 120 120 LYS LYS A . n A 1 97 VAL 97 121 121 VAL VAL A . n A 1 98 TYR 98 122 122 TYR TYR A . n A 1 99 ASN 99 123 123 ASN ASN A . n A 1 100 ARG 100 124 124 ARG ARG A . n A 1 101 GLN 101 125 125 GLN GLN A . n A 1 102 THR 102 126 126 THR THR A . n A 1 103 ILE 103 127 127 ILE ILE A . n A 1 104 GLN 104 128 128 GLN GLN A . n A 1 105 VAL 105 129 129 VAL VAL A . n A 1 106 SER 106 130 130 SER SER A . n A 1 107 LEU 107 131 131 LEU LEU A . n A 1 108 MET 108 132 132 MET MET A . n A 1 109 LEU 109 133 133 LEU LEU A . n A 1 110 ASN 110 134 134 ASN ASN A . n A 1 111 GLY 111 135 135 GLY GLY A . n A 1 112 TRP 112 136 136 TRP TRP A . n A 1 113 PRO 113 137 137 PRO PRO A . n A 1 114 VAL 114 138 138 VAL VAL A . n A 1 115 ILE 115 139 139 ILE ILE A . n A 1 116 SER 116 140 140 SER SER A . n A 1 117 ALA 117 141 141 ALA ALA A . n A 1 118 PHE 118 142 142 PHE PHE A . n A 1 119 ALA 119 143 143 ALA ALA A . n A 1 120 GLY 120 144 144 GLY GLY A . n A 1 121 ASP 121 145 145 ASP ASP A . n A 1 122 GLN 122 146 146 GLN GLN A . n A 1 123 ASP 123 147 147 ASP ASP A . n A 1 124 VAL 124 148 148 VAL VAL A . n A 1 125 THR 125 149 149 THR THR A . n A 1 126 ARG 126 150 150 ARG ARG A . n A 1 127 GLU 127 151 151 GLU GLU A . n A 1 128 ALA 128 152 152 ALA ALA A . n A 1 129 ALA 129 153 153 ALA ALA A . n A 1 130 SER 130 154 154 SER SER A . n A 1 131 ASN 131 155 155 ASN ASN A . n A 1 132 GLY 132 156 156 GLY GLY A . n A 1 133 VAL 133 157 157 VAL VAL A . n A 1 134 LEU 134 158 158 LEU LEU A . n A 1 135 ILE 135 159 159 ILE ILE A . n A 1 136 GLN 136 160 160 GLN GLN A . n A 1 137 MET 137 161 161 MET MET A . n A 1 138 GLU 138 162 162 GLU GLU A . n A 1 139 LYS 139 163 163 LYS LYS A . n A 1 140 GLY 140 164 164 GLY GLY A . n A 1 141 ASP 141 165 165 ASP ASP A . n A 1 142 ARG 142 166 166 ARG ARG A . n A 1 143 ALA 143 167 167 ALA ALA A . n A 1 144 TYR 144 168 168 TYR TYR A . n A 1 145 LEU 145 169 169 LEU LEU A . n A 1 146 LYS 146 170 170 LYS LYS A . n A 1 147 LEU 147 171 171 LEU LEU A . n A 1 148 GLU 148 172 172 GLU GLU A . n A 1 149 ARG 149 173 173 ARG ARG A . n A 1 150 GLY 150 174 174 GLY GLY A . n A 1 151 ASN 151 175 175 ASN ASN A . n A 1 152 LEU 152 176 176 LEU LEU A . n A 1 153 MET 153 177 177 MET MET A . n A 1 154 GLY 154 178 178 GLY GLY A . n A 1 155 GLY 155 179 179 GLY GLY A . n A 1 156 TRP 156 180 180 TRP TRP A . n A 1 157 LYS 157 181 181 LYS LYS A . n A 1 158 TYR 158 182 182 TYR TYR A . n A 1 159 SER 159 183 183 SER SER A . n A 1 160 THR 160 184 184 THR THR A . n A 1 161 PHE 161 185 185 PHE PHE A . n A 1 162 SER 162 186 186 SER SER A . n A 1 163 GLY 163 187 187 GLY GLY A . n A 1 164 PHE 164 188 188 PHE PHE A . n A 1 165 LEU 165 189 189 LEU LEU A . n A 1 166 VAL 166 190 190 VAL VAL A . n A 1 167 PHE 167 191 191 PHE PHE A . n A 1 168 PRO 168 192 192 PRO PRO A . n A 1 169 LEU 169 193 193 LEU LEU A . n A 1 170 GLY 170 194 194 GLY GLY A . n A 1 171 THR 171 195 195 THR THR A . n A 1 172 LYS 172 196 ? ? ? A . n A 1 173 HIS 173 197 ? ? ? A . n A 1 174 HIS 174 198 ? ? ? A . n A 1 175 HIS 175 199 ? ? ? A . n A 1 176 HIS 176 200 ? ? ? A . n A 1 177 HIS 177 201 ? ? ? A . n A 1 178 HIS 178 202 ? ? ? A . n B 1 1 GLU 1 25 ? ? ? B . n B 1 2 THR 2 26 ? ? ? B . n B 1 3 GLY 3 27 ? ? ? B . n B 1 4 GLU 4 28 ? ? ? B . n B 1 5 THR 5 29 ? ? ? B . n B 1 6 GLU 6 30 ? ? ? B . n B 1 7 PRO 7 31 ? ? ? B . n B 1 8 ILE 8 32 ? ? ? B . n B 1 9 VAL 9 33 ? ? ? B . n B 1 10 LEU 10 34 ? ? ? B . n B 1 11 GLU 11 35 ? ? ? B . n B 1 12 GLY 12 36 ? ? ? B . n B 1 13 LYS 13 37 ? ? ? B . n B 1 14 CYS 14 38 ? ? ? B . n B 1 15 LEU 15 39 ? ? ? B . n B 1 16 VAL 16 40 ? ? ? B . n B 1 17 VAL 17 41 ? ? ? B . n B 1 18 CYS 18 42 ? ? ? B . n B 1 19 ASP 19 43 ? ? ? B . n B 1 20 SER 20 44 ? ? ? B . n B 1 21 ASN 21 45 ? ? ? B . n B 1 22 PRO 22 46 ? ? ? B . n B 1 23 THR 23 47 ? ? ? B . n B 1 24 SER 24 48 ? ? ? B . n B 1 25 ASP 25 49 ? ? ? B . n B 1 26 PRO 26 50 ? ? ? B . n B 1 27 THR 27 51 ? ? ? B . n B 1 28 GLY 28 52 ? ? ? B . n B 1 29 THR 29 53 ? ? ? B . n B 1 30 ALA 30 54 ? ? ? B . n B 1 31 LEU 31 55 ? ? ? B . n B 1 32 GLY 32 56 ? ? ? B . n B 1 33 ILE 33 57 ? ? ? B . n B 1 34 SER 34 58 ? ? ? B . n B 1 35 SER 35 59 59 SER SER B . n B 1 36 ALA 36 60 60 ALA ALA B . n B 1 37 LYS 37 61 61 LYS LYS B . n B 1 38 VAL 38 62 62 VAL VAL B . n B 1 39 ALA 39 63 63 ALA ALA B . n B 1 40 PHE 40 64 64 PHE PHE B . n B 1 41 SER 41 65 65 SER SER B . n B 1 42 ALA 42 66 66 ALA ALA B . n B 1 43 ILE 43 67 67 ILE ILE B . n B 1 44 ARG 44 68 68 ARG ARG B . n B 1 45 SER 45 69 69 SER SER B . n B 1 46 THR 46 70 70 THR THR B . n B 1 47 ASN 47 71 71 ASN ASN B . n B 1 48 HIS 48 72 72 HIS HIS B . n B 1 49 GLU 49 73 73 GLU GLU B . n B 1 50 PRO 50 74 74 PRO PRO B . n B 1 51 SER 51 75 75 SER SER B . n B 1 52 GLU 52 76 76 GLU GLU B . n B 1 53 MET 53 77 77 MET MET B . n B 1 54 SER 54 78 78 SER SER B . n B 1 55 ASN 55 79 79 ASN ASN B . n B 1 56 ARG 56 80 80 ARG ARG B . n B 1 57 THR 57 81 81 THR THR B . n B 1 58 MET 58 82 82 MET MET B . n B 1 59 ILE 59 83 83 ILE ILE B . n B 1 60 ILE 60 84 84 ILE ILE B . n B 1 61 TYR 61 85 85 TYR TYR B . n B 1 62 PHE 62 86 86 PHE PHE B . n B 1 63 ASP 63 87 87 ASP ASP B . n B 1 64 GLN 64 88 88 GLN GLN B . n B 1 65 VAL 65 89 89 VAL VAL B . n B 1 66 LEU 66 90 90 LEU LEU B . n B 1 67 VAL 67 91 91 VAL VAL B . n B 1 68 ASN 68 92 92 ASN ASN B . n B 1 69 ILE 69 93 93 ILE ILE B . n B 1 70 GLY 70 94 94 GLY GLY B . n B 1 71 ASN 71 95 95 ASN ASN B . n B 1 72 ASN 72 96 96 ASN ASN B . n B 1 73 PHE 73 97 97 PHE PHE B . n B 1 74 ASP 74 98 98 ASP ASP B . n B 1 75 SER 75 99 99 SER SER B . n B 1 76 GLU 76 100 100 GLU GLU B . n B 1 77 ARG 77 101 101 ARG ARG B . n B 1 78 SER 78 102 102 SER SER B . n B 1 79 THR 79 103 103 THR THR B . n B 1 80 PHE 80 104 104 PHE PHE B . n B 1 81 ILE 81 105 105 ILE ILE B . n B 1 82 ALA 82 106 106 ALA ALA B . n B 1 83 PRO 83 107 107 PRO PRO B . n B 1 84 ARG 84 108 108 ARG ARG B . n B 1 85 LYS 85 109 109 LYS LYS B . n B 1 86 GLY 86 110 110 GLY GLY B . n B 1 87 ILE 87 111 111 ILE ILE B . n B 1 88 TYR 88 112 112 TYR TYR B . n B 1 89 SER 89 113 113 SER SER B . n B 1 90 PHE 90 114 114 PHE PHE B . n B 1 91 ASN 91 115 115 ASN ASN B . n B 1 92 PHE 92 116 116 PHE PHE B . n B 1 93 HIS 93 117 117 HIS HIS B . n B 1 94 VAL 94 118 118 VAL VAL B . n B 1 95 VAL 95 119 119 VAL VAL B . n B 1 96 LYS 96 120 120 LYS LYS B . n B 1 97 VAL 97 121 121 VAL VAL B . n B 1 98 TYR 98 122 122 TYR TYR B . n B 1 99 ASN 99 123 123 ASN ASN B . n B 1 100 ARG 100 124 124 ARG ARG B . n B 1 101 GLN 101 125 125 GLN GLN B . n B 1 102 THR 102 126 126 THR THR B . n B 1 103 ILE 103 127 127 ILE ILE B . n B 1 104 GLN 104 128 128 GLN GLN B . n B 1 105 VAL 105 129 129 VAL VAL B . n B 1 106 SER 106 130 130 SER SER B . n B 1 107 LEU 107 131 131 LEU LEU B . n B 1 108 MET 108 132 132 MET MET B . n B 1 109 LEU 109 133 133 LEU LEU B . n B 1 110 ASN 110 134 134 ASN ASN B . n B 1 111 GLY 111 135 135 GLY GLY B . n B 1 112 TRP 112 136 136 TRP TRP B . n B 1 113 PRO 113 137 137 PRO PRO B . n B 1 114 VAL 114 138 138 VAL VAL B . n B 1 115 ILE 115 139 139 ILE ILE B . n B 1 116 SER 116 140 140 SER SER B . n B 1 117 ALA 117 141 141 ALA ALA B . n B 1 118 PHE 118 142 142 PHE PHE B . n B 1 119 ALA 119 143 143 ALA ALA B . n B 1 120 GLY 120 144 144 GLY GLY B . n B 1 121 ASP 121 145 145 ASP ASP B . n B 1 122 GLN 122 146 146 GLN GLN B . n B 1 123 ASP 123 147 147 ASP ASP B . n B 1 124 VAL 124 148 148 VAL VAL B . n B 1 125 THR 125 149 149 THR THR B . n B 1 126 ARG 126 150 150 ARG ARG B . n B 1 127 GLU 127 151 151 GLU GLU B . n B 1 128 ALA 128 152 152 ALA ALA B . n B 1 129 ALA 129 153 153 ALA ALA B . n B 1 130 SER 130 154 154 SER SER B . n B 1 131 ASN 131 155 155 ASN ASN B . n B 1 132 GLY 132 156 156 GLY GLY B . n B 1 133 VAL 133 157 157 VAL VAL B . n B 1 134 LEU 134 158 158 LEU LEU B . n B 1 135 ILE 135 159 159 ILE ILE B . n B 1 136 GLN 136 160 160 GLN GLN B . n B 1 137 MET 137 161 161 MET MET B . n B 1 138 GLU 138 162 162 GLU GLU B . n B 1 139 LYS 139 163 163 LYS LYS B . n B 1 140 GLY 140 164 164 GLY GLY B . n B 1 141 ASP 141 165 165 ASP ASP B . n B 1 142 ARG 142 166 166 ARG ARG B . n B 1 143 ALA 143 167 167 ALA ALA B . n B 1 144 TYR 144 168 168 TYR TYR B . n B 1 145 LEU 145 169 169 LEU LEU B . n B 1 146 LYS 146 170 170 LYS LYS B . n B 1 147 LEU 147 171 171 LEU LEU B . n B 1 148 GLU 148 172 172 GLU GLU B . n B 1 149 ARG 149 173 173 ARG ARG B . n B 1 150 GLY 150 174 174 GLY GLY B . n B 1 151 ASN 151 175 175 ASN ASN B . n B 1 152 LEU 152 176 176 LEU LEU B . n B 1 153 MET 153 177 177 MET MET B . n B 1 154 GLY 154 178 178 GLY GLY B . n B 1 155 GLY 155 179 179 GLY GLY B . n B 1 156 TRP 156 180 180 TRP TRP B . n B 1 157 LYS 157 181 181 LYS LYS B . n B 1 158 TYR 158 182 182 TYR TYR B . n B 1 159 SER 159 183 183 SER SER B . n B 1 160 THR 160 184 184 THR THR B . n B 1 161 PHE 161 185 185 PHE PHE B . n B 1 162 SER 162 186 186 SER SER B . n B 1 163 GLY 163 187 187 GLY GLY B . n B 1 164 PHE 164 188 188 PHE PHE B . n B 1 165 LEU 165 189 189 LEU LEU B . n B 1 166 VAL 166 190 190 VAL VAL B . n B 1 167 PHE 167 191 191 PHE PHE B . n B 1 168 PRO 168 192 192 PRO PRO B . n B 1 169 LEU 169 193 193 LEU LEU B . n B 1 170 GLY 170 194 194 GLY GLY B . n B 1 171 THR 171 195 195 THR THR B . n B 1 172 LYS 172 196 196 LYS LYS B . n B 1 173 HIS 173 197 197 HIS HIS B . n B 1 174 HIS 174 198 198 HIS HIS B . n B 1 175 HIS 175 199 199 HIS HIS B . n B 1 176 HIS 176 200 200 HIS HIS B . n B 1 177 HIS 177 201 201 HIS HIS B . n B 1 178 HIS 178 202 202 HIS HIS B . n C 1 1 GLU 1 25 ? ? ? C . n C 1 2 THR 2 26 ? ? ? C . n C 1 3 GLY 3 27 ? ? ? C . n C 1 4 GLU 4 28 ? ? ? C . n C 1 5 THR 5 29 ? ? ? C . n C 1 6 GLU 6 30 ? ? ? C . n C 1 7 PRO 7 31 ? ? ? C . n C 1 8 ILE 8 32 ? ? ? C . n C 1 9 VAL 9 33 ? ? ? C . n C 1 10 LEU 10 34 ? ? ? C . n C 1 11 GLU 11 35 ? ? ? C . n C 1 12 GLY 12 36 ? ? ? C . n C 1 13 LYS 13 37 ? ? ? C . n C 1 14 CYS 14 38 ? ? ? C . n C 1 15 LEU 15 39 ? ? ? C . n C 1 16 VAL 16 40 ? ? ? C . n C 1 17 VAL 17 41 ? ? ? C . n C 1 18 CYS 18 42 ? ? ? C . n C 1 19 ASP 19 43 ? ? ? C . n C 1 20 SER 20 44 ? ? ? C . n C 1 21 ASN 21 45 ? ? ? C . n C 1 22 PRO 22 46 ? ? ? C . n C 1 23 THR 23 47 ? ? ? C . n C 1 24 SER 24 48 ? ? ? C . n C 1 25 ASP 25 49 ? ? ? C . n C 1 26 PRO 26 50 ? ? ? C . n C 1 27 THR 27 51 ? ? ? C . n C 1 28 GLY 28 52 ? ? ? C . n C 1 29 THR 29 53 ? ? ? C . n C 1 30 ALA 30 54 ? ? ? C . n C 1 31 LEU 31 55 ? ? ? C . n C 1 32 GLY 32 56 ? ? ? C . n C 1 33 ILE 33 57 ? ? ? C . n C 1 34 SER 34 58 ? ? ? C . n C 1 35 SER 35 59 59 SER SER C . n C 1 36 ALA 36 60 60 ALA ALA C . n C 1 37 LYS 37 61 61 LYS LYS C . n C 1 38 VAL 38 62 62 VAL VAL C . n C 1 39 ALA 39 63 63 ALA ALA C . n C 1 40 PHE 40 64 64 PHE PHE C . n C 1 41 SER 41 65 65 SER SER C . n C 1 42 ALA 42 66 66 ALA ALA C . n C 1 43 ILE 43 67 67 ILE ILE C . n C 1 44 ARG 44 68 68 ARG ARG C . n C 1 45 SER 45 69 69 SER SER C . n C 1 46 THR 46 70 70 THR THR C . n C 1 47 ASN 47 71 71 ASN ASN C . n C 1 48 HIS 48 72 72 HIS HIS C . n C 1 49 GLU 49 73 73 GLU GLU C . n C 1 50 PRO 50 74 74 PRO PRO C . n C 1 51 SER 51 75 75 SER SER C . n C 1 52 GLU 52 76 76 GLU GLU C . n C 1 53 MET 53 77 77 MET MET C . n C 1 54 SER 54 78 78 SER SER C . n C 1 55 ASN 55 79 79 ASN ASN C . n C 1 56 ARG 56 80 80 ARG ARG C . n C 1 57 THR 57 81 81 THR THR C . n C 1 58 MET 58 82 82 MET MET C . n C 1 59 ILE 59 83 83 ILE ILE C . n C 1 60 ILE 60 84 84 ILE ILE C . n C 1 61 TYR 61 85 85 TYR TYR C . n C 1 62 PHE 62 86 86 PHE PHE C . n C 1 63 ASP 63 87 87 ASP ASP C . n C 1 64 GLN 64 88 88 GLN GLN C . n C 1 65 VAL 65 89 89 VAL VAL C . n C 1 66 LEU 66 90 90 LEU LEU C . n C 1 67 VAL 67 91 91 VAL VAL C . n C 1 68 ASN 68 92 92 ASN ASN C . n C 1 69 ILE 69 93 93 ILE ILE C . n C 1 70 GLY 70 94 94 GLY GLY C . n C 1 71 ASN 71 95 95 ASN ASN C . n C 1 72 ASN 72 96 96 ASN ASN C . n C 1 73 PHE 73 97 97 PHE PHE C . n C 1 74 ASP 74 98 98 ASP ASP C . n C 1 75 SER 75 99 99 SER SER C . n C 1 76 GLU 76 100 100 GLU GLU C . n C 1 77 ARG 77 101 101 ARG ARG C . n C 1 78 SER 78 102 102 SER SER C . n C 1 79 THR 79 103 103 THR THR C . n C 1 80 PHE 80 104 104 PHE PHE C . n C 1 81 ILE 81 105 105 ILE ILE C . n C 1 82 ALA 82 106 106 ALA ALA C . n C 1 83 PRO 83 107 107 PRO PRO C . n C 1 84 ARG 84 108 108 ARG ARG C . n C 1 85 LYS 85 109 109 LYS LYS C . n C 1 86 GLY 86 110 110 GLY GLY C . n C 1 87 ILE 87 111 111 ILE ILE C . n C 1 88 TYR 88 112 112 TYR TYR C . n C 1 89 SER 89 113 113 SER SER C . n C 1 90 PHE 90 114 114 PHE PHE C . n C 1 91 ASN 91 115 115 ASN ASN C . n C 1 92 PHE 92 116 116 PHE PHE C . n C 1 93 HIS 93 117 117 HIS HIS C . n C 1 94 VAL 94 118 118 VAL VAL C . n C 1 95 VAL 95 119 119 VAL VAL C . n C 1 96 LYS 96 120 120 LYS LYS C . n C 1 97 VAL 97 121 121 VAL VAL C . n C 1 98 TYR 98 122 122 TYR TYR C . n C 1 99 ASN 99 123 123 ASN ASN C . n C 1 100 ARG 100 124 124 ARG ARG C . n C 1 101 GLN 101 125 125 GLN GLN C . n C 1 102 THR 102 126 126 THR THR C . n C 1 103 ILE 103 127 127 ILE ILE C . n C 1 104 GLN 104 128 128 GLN GLN C . n C 1 105 VAL 105 129 129 VAL VAL C . n C 1 106 SER 106 130 130 SER SER C . n C 1 107 LEU 107 131 131 LEU LEU C . n C 1 108 MET 108 132 132 MET MET C . n C 1 109 LEU 109 133 133 LEU LEU C . n C 1 110 ASN 110 134 134 ASN ASN C . n C 1 111 GLY 111 135 135 GLY GLY C . n C 1 112 TRP 112 136 136 TRP TRP C . n C 1 113 PRO 113 137 137 PRO PRO C . n C 1 114 VAL 114 138 138 VAL VAL C . n C 1 115 ILE 115 139 139 ILE ILE C . n C 1 116 SER 116 140 140 SER SER C . n C 1 117 ALA 117 141 141 ALA ALA C . n C 1 118 PHE 118 142 142 PHE PHE C . n C 1 119 ALA 119 143 143 ALA ALA C . n C 1 120 GLY 120 144 144 GLY GLY C . n C 1 121 ASP 121 145 145 ASP ASP C . n C 1 122 GLN 122 146 146 GLN GLN C . n C 1 123 ASP 123 147 147 ASP ASP C . n C 1 124 VAL 124 148 148 VAL VAL C . n C 1 125 THR 125 149 149 THR THR C . n C 1 126 ARG 126 150 150 ARG ARG C . n C 1 127 GLU 127 151 151 GLU GLU C . n C 1 128 ALA 128 152 152 ALA ALA C . n C 1 129 ALA 129 153 153 ALA ALA C . n C 1 130 SER 130 154 154 SER SER C . n C 1 131 ASN 131 155 155 ASN ASN C . n C 1 132 GLY 132 156 156 GLY GLY C . n C 1 133 VAL 133 157 157 VAL VAL C . n C 1 134 LEU 134 158 158 LEU LEU C . n C 1 135 ILE 135 159 159 ILE ILE C . n C 1 136 GLN 136 160 160 GLN GLN C . n C 1 137 MET 137 161 161 MET MET C . n C 1 138 GLU 138 162 162 GLU GLU C . n C 1 139 LYS 139 163 163 LYS LYS C . n C 1 140 GLY 140 164 164 GLY GLY C . n C 1 141 ASP 141 165 165 ASP ASP C . n C 1 142 ARG 142 166 166 ARG ARG C . n C 1 143 ALA 143 167 167 ALA ALA C . n C 1 144 TYR 144 168 168 TYR TYR C . n C 1 145 LEU 145 169 169 LEU LEU C . n C 1 146 LYS 146 170 170 LYS LYS C . n C 1 147 LEU 147 171 171 LEU LEU C . n C 1 148 GLU 148 172 172 GLU GLU C . n C 1 149 ARG 149 173 173 ARG ARG C . n C 1 150 GLY 150 174 174 GLY GLY C . n C 1 151 ASN 151 175 175 ASN ASN C . n C 1 152 LEU 152 176 176 LEU LEU C . n C 1 153 MET 153 177 177 MET MET C . n C 1 154 GLY 154 178 178 GLY GLY C . n C 1 155 GLY 155 179 179 GLY GLY C . n C 1 156 TRP 156 180 180 TRP TRP C . n C 1 157 LYS 157 181 181 LYS LYS C . n C 1 158 TYR 158 182 182 TYR TYR C . n C 1 159 SER 159 183 183 SER SER C . n C 1 160 THR 160 184 184 THR THR C . n C 1 161 PHE 161 185 185 PHE PHE C . n C 1 162 SER 162 186 186 SER SER C . n C 1 163 GLY 163 187 187 GLY GLY C . n C 1 164 PHE 164 188 188 PHE PHE C . n C 1 165 LEU 165 189 189 LEU LEU C . n C 1 166 VAL 166 190 190 VAL VAL C . n C 1 167 PHE 167 191 191 PHE PHE C . n C 1 168 PRO 168 192 192 PRO PRO C . n C 1 169 LEU 169 193 193 LEU LEU C . n C 1 170 GLY 170 194 194 GLY GLY C . n C 1 171 THR 171 195 ? ? ? C . n C 1 172 LYS 172 196 ? ? ? C . n C 1 173 HIS 173 197 ? ? ? C . n C 1 174 HIS 174 198 ? ? ? C . n C 1 175 HIS 175 199 ? ? ? C . n C 1 176 HIS 176 200 ? ? ? C . n C 1 177 HIS 177 201 ? ? ? C . n C 1 178 HIS 178 202 ? ? ? C . 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 D 2 NAG 1 301 196 NAG NAG A . E 2 NAG 1 301 203 NAG NAG B . F 2 NAG 1 301 195 NAG NAG C . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,E,F 1 2 A,B,C,D,E,F # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 4_555 x,-y,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # _pdbx_point_symmetry.entry_id 5KC6 _pdbx_point_symmetry.Schoenflies_symbol C _pdbx_point_symmetry.circular_symmetry 2 _pdbx_point_symmetry.H-M_notation ? # 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 2016-07-27 2 'Structure model' 1 1 2016-08-03 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Structure summary' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 70.0901 34.2115 16.3107 0.2536 0.4491 0.3266 -0.0557 0.0416 0.0736 2.8648 2.2085 2.9376 -0.3874 0.0827 -0.0422 -0.1598 -0.7242 -0.4212 0.0763 0.0742 0.2506 0.0351 -0.4344 0.0850 'X-RAY DIFFRACTION' 2 ? refined 92.6351 39.2103 11.1711 0.2607 0.2986 0.1908 0.0545 -0.0295 0.0479 4.4245 2.5369 3.1198 0.6674 -0.2355 0.5682 -0.1842 -0.4570 -0.0292 -0.0835 0.1518 -0.0626 -0.1888 0.1864 0.0343 'X-RAY DIFFRACTION' 3 ? refined 76.9018 40.0466 -5.2777 0.2745 0.2920 0.2424 -0.0242 0.0028 -0.0550 3.5721 2.3326 2.5196 -1.0460 0.3216 -0.0325 -0.0416 0.4311 0.0950 -0.1173 0.1785 -0.1803 0.0648 -0.1133 -0.1028 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? '(chain A and resseq 59:195)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '(chain B and resseq 59:202)' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '(chain C and resseq 59:194)' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? dev_1772 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 NZ _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 LYS _pdbx_validate_close_contact.auth_seq_id_1 120 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 GLN _pdbx_validate_close_contact.auth_seq_id_2 125 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.11 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 LYS _pdbx_validate_symm_contact.auth_seq_id_1 163 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 NH2 _pdbx_validate_symm_contact.auth_asym_id_2 C _pdbx_validate_symm_contact.auth_comp_id_2 ARG _pdbx_validate_symm_contact.auth_seq_id_2 173 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 8_555 _pdbx_validate_symm_contact.dist 2.18 # 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 92 ? ? -160.09 60.44 2 1 ASN B 92 ? ? -160.20 60.24 3 1 ASN C 92 ? ? -159.37 60.29 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 25 ? A GLU 1 2 1 Y 1 A THR 26 ? A THR 2 3 1 Y 1 A GLY 27 ? A GLY 3 4 1 Y 1 A GLU 28 ? A GLU 4 5 1 Y 1 A THR 29 ? A THR 5 6 1 Y 1 A GLU 30 ? A GLU 6 7 1 Y 1 A PRO 31 ? A PRO 7 8 1 Y 1 A ILE 32 ? A ILE 8 9 1 Y 1 A VAL 33 ? A VAL 9 10 1 Y 1 A LEU 34 ? A LEU 10 11 1 Y 1 A GLU 35 ? A GLU 11 12 1 Y 1 A GLY 36 ? A GLY 12 13 1 Y 1 A LYS 37 ? A LYS 13 14 1 Y 1 A CYS 38 ? A CYS 14 15 1 Y 1 A LEU 39 ? A LEU 15 16 1 Y 1 A VAL 40 ? A VAL 16 17 1 Y 1 A VAL 41 ? A VAL 17 18 1 Y 1 A CYS 42 ? A CYS 18 19 1 Y 1 A ASP 43 ? A ASP 19 20 1 Y 1 A SER 44 ? A SER 20 21 1 Y 1 A ASN 45 ? A ASN 21 22 1 Y 1 A PRO 46 ? A PRO 22 23 1 Y 1 A THR 47 ? A THR 23 24 1 Y 1 A SER 48 ? A SER 24 25 1 Y 1 A ASP 49 ? A ASP 25 26 1 Y 1 A PRO 50 ? A PRO 26 27 1 Y 1 A THR 51 ? A THR 27 28 1 Y 1 A GLY 52 ? A GLY 28 29 1 Y 1 A THR 53 ? A THR 29 30 1 Y 1 A ALA 54 ? A ALA 30 31 1 Y 1 A LEU 55 ? A LEU 31 32 1 Y 1 A GLY 56 ? A GLY 32 33 1 Y 1 A ILE 57 ? A ILE 33 34 1 Y 1 A SER 58 ? A SER 34 35 1 Y 1 A LYS 196 ? A LYS 172 36 1 Y 1 A HIS 197 ? A HIS 173 37 1 Y 1 A HIS 198 ? A HIS 174 38 1 Y 1 A HIS 199 ? A HIS 175 39 1 Y 1 A HIS 200 ? A HIS 176 40 1 Y 1 A HIS 201 ? A HIS 177 41 1 Y 1 A HIS 202 ? A HIS 178 42 1 Y 1 B GLU 25 ? B GLU 1 43 1 Y 1 B THR 26 ? B THR 2 44 1 Y 1 B GLY 27 ? B GLY 3 45 1 Y 1 B GLU 28 ? B GLU 4 46 1 Y 1 B THR 29 ? B THR 5 47 1 Y 1 B GLU 30 ? B GLU 6 48 1 Y 1 B PRO 31 ? B PRO 7 49 1 Y 1 B ILE 32 ? B ILE 8 50 1 Y 1 B VAL 33 ? B VAL 9 51 1 Y 1 B LEU 34 ? B LEU 10 52 1 Y 1 B GLU 35 ? B GLU 11 53 1 Y 1 B GLY 36 ? B GLY 12 54 1 Y 1 B LYS 37 ? B LYS 13 55 1 Y 1 B CYS 38 ? B CYS 14 56 1 Y 1 B LEU 39 ? B LEU 15 57 1 Y 1 B VAL 40 ? B VAL 16 58 1 Y 1 B VAL 41 ? B VAL 17 59 1 Y 1 B CYS 42 ? B CYS 18 60 1 Y 1 B ASP 43 ? B ASP 19 61 1 Y 1 B SER 44 ? B SER 20 62 1 Y 1 B ASN 45 ? B ASN 21 63 1 Y 1 B PRO 46 ? B PRO 22 64 1 Y 1 B THR 47 ? B THR 23 65 1 Y 1 B SER 48 ? B SER 24 66 1 Y 1 B ASP 49 ? B ASP 25 67 1 Y 1 B PRO 50 ? B PRO 26 68 1 Y 1 B THR 51 ? B THR 27 69 1 Y 1 B GLY 52 ? B GLY 28 70 1 Y 1 B THR 53 ? B THR 29 71 1 Y 1 B ALA 54 ? B ALA 30 72 1 Y 1 B LEU 55 ? B LEU 31 73 1 Y 1 B GLY 56 ? B GLY 32 74 1 Y 1 B ILE 57 ? B ILE 33 75 1 Y 1 B SER 58 ? B SER 34 76 1 Y 1 C GLU 25 ? C GLU 1 77 1 Y 1 C THR 26 ? C THR 2 78 1 Y 1 C GLY 27 ? C GLY 3 79 1 Y 1 C GLU 28 ? C GLU 4 80 1 Y 1 C THR 29 ? C THR 5 81 1 Y 1 C GLU 30 ? C GLU 6 82 1 Y 1 C PRO 31 ? C PRO 7 83 1 Y 1 C ILE 32 ? C ILE 8 84 1 Y 1 C VAL 33 ? C VAL 9 85 1 Y 1 C LEU 34 ? C LEU 10 86 1 Y 1 C GLU 35 ? C GLU 11 87 1 Y 1 C GLY 36 ? C GLY 12 88 1 Y 1 C LYS 37 ? C LYS 13 89 1 Y 1 C CYS 38 ? C CYS 14 90 1 Y 1 C LEU 39 ? C LEU 15 91 1 Y 1 C VAL 40 ? C VAL 16 92 1 Y 1 C VAL 41 ? C VAL 17 93 1 Y 1 C CYS 42 ? C CYS 18 94 1 Y 1 C ASP 43 ? C ASP 19 95 1 Y 1 C SER 44 ? C SER 20 96 1 Y 1 C ASN 45 ? C ASN 21 97 1 Y 1 C PRO 46 ? C PRO 22 98 1 Y 1 C THR 47 ? C THR 23 99 1 Y 1 C SER 48 ? C SER 24 100 1 Y 1 C ASP 49 ? C ASP 25 101 1 Y 1 C PRO 50 ? C PRO 26 102 1 Y 1 C THR 51 ? C THR 27 103 1 Y 1 C GLY 52 ? C GLY 28 104 1 Y 1 C THR 53 ? C THR 29 105 1 Y 1 C ALA 54 ? C ALA 30 106 1 Y 1 C LEU 55 ? C LEU 31 107 1 Y 1 C GLY 56 ? C GLY 32 108 1 Y 1 C ILE 57 ? C ILE 33 109 1 Y 1 C SER 58 ? C SER 34 110 1 Y 1 C THR 195 ? C THR 171 111 1 Y 1 C LYS 196 ? C LYS 172 112 1 Y 1 C HIS 197 ? C HIS 173 113 1 Y 1 C HIS 198 ? C HIS 174 114 1 Y 1 C HIS 199 ? C HIS 175 115 1 Y 1 C HIS 200 ? C HIS 176 116 1 Y 1 C HIS 201 ? C HIS 177 117 1 Y 1 C HIS 202 ? C HIS 178 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #