data_5GS6 # _entry.id 5GS6 # _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 5GS6 WWPDB D_1300001345 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5GS6 _pdbx_database_status.recvd_initial_deposition_date 2016-08-14 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _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 'Xu, X.Y.' 1 'Song, H.' 2 'Qi, J.X.' 3 'Shi, Y.' 4 'Gao, G.F.' 5 # _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 UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Embo J.' _citation.journal_id_ASTM EMJODG _citation.journal_id_CSD 0897 _citation.journal_id_ISSN 1460-2075 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 35 _citation.language ? _citation.page_first 2170 _citation.page_last 2178 _citation.title 'Contribution of intertwined loop to membrane association revealed by Zika virus full-length NS1 structure' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.15252/embj.201695290 _citation.pdbx_database_id_PubMed 27578809 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Xu, X.' 1 primary 'Song, H.' 2 primary 'Qi, J.' 3 primary 'Liu, Y.' 4 primary 'Wang, H.' 5 primary 'Su, C.' 6 primary 'Shi, Y.' 7 primary 'Gao, G.F.' 8 # _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 5GS6 _cell.details ? _cell.formula_units_Z ? _cell.length_a 96.948 _cell.length_a_esd ? _cell.length_b 96.948 _cell.length_b_esd ? _cell.length_c 270.143 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 16 _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 5GS6 _symmetry.cell_setting ? _symmetry.Int_Tables_number 91 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 41 2 2' _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 'NS1 of Zika virus from 2015 Brazil strain' 40870.293 2 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;HHHHHHVGCSVDFSKKETRCGTGVFVYNDVEAWRDRYKYHPDSPRRLAAAVKQAWEDGICGISSVSRMENIMWRSVEGEL NAILEENGVQLTVVVGSVKNPMWRGPQRLPVPVNELPHGWKAWGKSYFVRAAKTNNSFVVDGDTLKECPLKHRAWNSFLV EDHGFGVFHTSVWLKVREDYSLECDPAVIGTAVKGKEAVHSDLGYWIESEKNDTWRLKRAHLIEMKTCEWPKSHTLWTDG IEESDLIIPKSLAGPLSHHNTREGYRTQMKGPWHSEELEIRFEECPGTKVHVEETCGTRGPSLRSTTASGRVIEEWCCRE CTMPPLSFRAKDGCWYGMEIRPRKEPESNLVRSMVTA ; _entity_poly.pdbx_seq_one_letter_code_can ;HHHHHHVGCSVDFSKKETRCGTGVFVYNDVEAWRDRYKYHPDSPRRLAAAVKQAWEDGICGISSVSRMENIMWRSVEGEL NAILEENGVQLTVVVGSVKNPMWRGPQRLPVPVNELPHGWKAWGKSYFVRAAKTNNSFVVDGDTLKECPLKHRAWNSFLV EDHGFGVFHTSVWLKVREDYSLECDPAVIGTAVKGKEAVHSDLGYWIESEKNDTWRLKRAHLIEMKTCEWPKSHTLWTDG IEESDLIIPKSLAGPLSHHNTREGYRTQMKGPWHSEELEIRFEECPGTKVHVEETCGTRGPSLRSTTASGRVIEEWCCRE CTMPPLSFRAKDGCWYGMEIRPRKEPESNLVRSMVTA ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 HIS n 1 2 HIS n 1 3 HIS n 1 4 HIS n 1 5 HIS n 1 6 HIS n 1 7 VAL n 1 8 GLY n 1 9 CYS n 1 10 SER n 1 11 VAL n 1 12 ASP n 1 13 PHE n 1 14 SER n 1 15 LYS n 1 16 LYS n 1 17 GLU n 1 18 THR n 1 19 ARG n 1 20 CYS n 1 21 GLY n 1 22 THR n 1 23 GLY n 1 24 VAL n 1 25 PHE n 1 26 VAL n 1 27 TYR n 1 28 ASN n 1 29 ASP n 1 30 VAL n 1 31 GLU n 1 32 ALA n 1 33 TRP n 1 34 ARG n 1 35 ASP n 1 36 ARG n 1 37 TYR n 1 38 LYS n 1 39 TYR n 1 40 HIS n 1 41 PRO n 1 42 ASP n 1 43 SER n 1 44 PRO n 1 45 ARG n 1 46 ARG n 1 47 LEU n 1 48 ALA n 1 49 ALA n 1 50 ALA n 1 51 VAL n 1 52 LYS n 1 53 GLN n 1 54 ALA n 1 55 TRP n 1 56 GLU n 1 57 ASP n 1 58 GLY n 1 59 ILE n 1 60 CYS n 1 61 GLY n 1 62 ILE n 1 63 SER n 1 64 SER n 1 65 VAL n 1 66 SER n 1 67 ARG n 1 68 MET n 1 69 GLU n 1 70 ASN n 1 71 ILE n 1 72 MET n 1 73 TRP n 1 74 ARG n 1 75 SER n 1 76 VAL n 1 77 GLU n 1 78 GLY n 1 79 GLU n 1 80 LEU n 1 81 ASN n 1 82 ALA n 1 83 ILE n 1 84 LEU n 1 85 GLU n 1 86 GLU n 1 87 ASN n 1 88 GLY n 1 89 VAL n 1 90 GLN n 1 91 LEU n 1 92 THR n 1 93 VAL n 1 94 VAL n 1 95 VAL n 1 96 GLY n 1 97 SER n 1 98 VAL n 1 99 LYS n 1 100 ASN n 1 101 PRO n 1 102 MET n 1 103 TRP n 1 104 ARG n 1 105 GLY n 1 106 PRO n 1 107 GLN n 1 108 ARG n 1 109 LEU n 1 110 PRO n 1 111 VAL n 1 112 PRO n 1 113 VAL n 1 114 ASN n 1 115 GLU n 1 116 LEU n 1 117 PRO n 1 118 HIS n 1 119 GLY n 1 120 TRP n 1 121 LYS n 1 122 ALA n 1 123 TRP n 1 124 GLY n 1 125 LYS n 1 126 SER n 1 127 TYR n 1 128 PHE n 1 129 VAL n 1 130 ARG n 1 131 ALA n 1 132 ALA n 1 133 LYS n 1 134 THR n 1 135 ASN n 1 136 ASN n 1 137 SER n 1 138 PHE n 1 139 VAL n 1 140 VAL n 1 141 ASP n 1 142 GLY n 1 143 ASP n 1 144 THR n 1 145 LEU n 1 146 LYS n 1 147 GLU n 1 148 CYS n 1 149 PRO n 1 150 LEU n 1 151 LYS n 1 152 HIS n 1 153 ARG n 1 154 ALA n 1 155 TRP n 1 156 ASN n 1 157 SER n 1 158 PHE n 1 159 LEU n 1 160 VAL n 1 161 GLU n 1 162 ASP n 1 163 HIS n 1 164 GLY n 1 165 PHE n 1 166 GLY n 1 167 VAL n 1 168 PHE n 1 169 HIS n 1 170 THR n 1 171 SER n 1 172 VAL n 1 173 TRP n 1 174 LEU n 1 175 LYS n 1 176 VAL n 1 177 ARG n 1 178 GLU n 1 179 ASP n 1 180 TYR n 1 181 SER n 1 182 LEU n 1 183 GLU n 1 184 CYS n 1 185 ASP n 1 186 PRO n 1 187 ALA n 1 188 VAL n 1 189 ILE n 1 190 GLY n 1 191 THR n 1 192 ALA n 1 193 VAL n 1 194 LYS n 1 195 GLY n 1 196 LYS n 1 197 GLU n 1 198 ALA n 1 199 VAL n 1 200 HIS n 1 201 SER n 1 202 ASP n 1 203 LEU n 1 204 GLY n 1 205 TYR n 1 206 TRP n 1 207 ILE n 1 208 GLU n 1 209 SER n 1 210 GLU n 1 211 LYS n 1 212 ASN n 1 213 ASP n 1 214 THR n 1 215 TRP n 1 216 ARG n 1 217 LEU n 1 218 LYS n 1 219 ARG n 1 220 ALA n 1 221 HIS n 1 222 LEU n 1 223 ILE n 1 224 GLU n 1 225 MET n 1 226 LYS n 1 227 THR n 1 228 CYS n 1 229 GLU n 1 230 TRP n 1 231 PRO n 1 232 LYS n 1 233 SER n 1 234 HIS n 1 235 THR n 1 236 LEU n 1 237 TRP n 1 238 THR n 1 239 ASP n 1 240 GLY n 1 241 ILE n 1 242 GLU n 1 243 GLU n 1 244 SER n 1 245 ASP n 1 246 LEU n 1 247 ILE n 1 248 ILE n 1 249 PRO n 1 250 LYS n 1 251 SER n 1 252 LEU n 1 253 ALA n 1 254 GLY n 1 255 PRO n 1 256 LEU n 1 257 SER n 1 258 HIS n 1 259 HIS n 1 260 ASN n 1 261 THR n 1 262 ARG n 1 263 GLU n 1 264 GLY n 1 265 TYR n 1 266 ARG n 1 267 THR n 1 268 GLN n 1 269 MET n 1 270 LYS n 1 271 GLY n 1 272 PRO n 1 273 TRP n 1 274 HIS n 1 275 SER n 1 276 GLU n 1 277 GLU n 1 278 LEU n 1 279 GLU n 1 280 ILE n 1 281 ARG n 1 282 PHE n 1 283 GLU n 1 284 GLU n 1 285 CYS n 1 286 PRO n 1 287 GLY n 1 288 THR n 1 289 LYS n 1 290 VAL n 1 291 HIS n 1 292 VAL n 1 293 GLU n 1 294 GLU n 1 295 THR n 1 296 CYS n 1 297 GLY n 1 298 THR n 1 299 ARG n 1 300 GLY n 1 301 PRO n 1 302 SER n 1 303 LEU n 1 304 ARG n 1 305 SER n 1 306 THR n 1 307 THR n 1 308 ALA n 1 309 SER n 1 310 GLY n 1 311 ARG n 1 312 VAL n 1 313 ILE n 1 314 GLU n 1 315 GLU n 1 316 TRP n 1 317 CYS n 1 318 CYS n 1 319 ARG n 1 320 GLU n 1 321 CYS n 1 322 THR n 1 323 MET n 1 324 PRO n 1 325 PRO n 1 326 LEU n 1 327 SER n 1 328 PHE n 1 329 ARG n 1 330 ALA n 1 331 LYS n 1 332 ASP n 1 333 GLY n 1 334 CYS n 1 335 TRP n 1 336 TYR n 1 337 GLY n 1 338 MET n 1 339 GLU n 1 340 ILE n 1 341 ARG n 1 342 PRO n 1 343 ARG n 1 344 LYS n 1 345 GLU n 1 346 PRO n 1 347 GLU n 1 348 SER n 1 349 ASN n 1 350 LEU n 1 351 VAL n 1 352 ARG n 1 353 SER n 1 354 MET n 1 355 VAL n 1 356 THR n 1 357 ALA n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 357 ? ? NS1 ? BeH819015 ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 357 ? ? NS1 ? BeH819015 ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 5GS6 _struct_ref.pdbx_db_accession 5GS6 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 # 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 5GS6 A 1 ? 357 ? 5GS6 -4 ? 352 ? -4 352 2 1 5GS6 B 1 ? 357 ? 5GS6 -4 ? 352 ? -4 352 # 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 5GS6 _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 3.86 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 68.16 _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 8.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M Tris hydrochloride pH 8.5, 2.0M ammonium sulfate' _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 CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2016-04-28 # _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 0.97853 _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 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97853 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5GS6 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.85 _reflns.d_resolution_low 50 _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 30984 _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 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 14.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 24.152 _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 . _reflns_shell.d_res_low ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _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 ? _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 ? _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 ? _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 ? _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 5GS6 _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 2.852 _refine.ls_d_res_low 48.474 _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 30984 _refine.ls_number_reflns_R_free 1563 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.96 _refine.ls_percent_reflns_R_free 5.04 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2457 _refine.ls_R_factor_R_free 0.2840 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2437 _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 ? _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 1.34 _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 4O6B _refine.pdbx_stereochemistry_target_values ? _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 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _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 29.21 _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 0.34 _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_analyze.entry_id 5GS6 _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 5623 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 5623 _refine_hist.d_res_high 2.852 _refine_hist.d_res_low 48.474 # 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' ? 0.004 ? 5791 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.937 ? 7836 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 16.138 ? 2121 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.041 ? 824 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.003 ? 1004 ? 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' 2.8517 2.9438 . . 118 2609 100.00 . . . 0.3416 . 0.2889 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9438 3.0490 . . 130 2636 100.00 . . . 0.3328 . 0.2876 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0490 3.1710 . . 139 2600 100.00 . . . 0.2998 . 0.2871 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1710 3.3153 . . 123 2644 100.00 . . . 0.3339 . 0.2676 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3153 3.4901 . . 145 2647 100.00 . . . 0.2917 . 0.2729 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.4901 3.7087 . . 151 2632 100.00 . . . 0.3054 . 0.2543 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.7087 3.9949 . . 149 2646 100.00 . . . 0.2994 . 0.2466 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.9949 4.3967 . . 158 2666 100.00 . . . 0.2455 . 0.2094 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.3967 5.0323 . . 149 2688 100.00 . . . 0.2319 . 0.2026 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.0323 6.3379 . . 145 2735 100.00 . . . 0.2607 . 0.2400 . . . . . . . . . . 'X-RAY DIFFRACTION' 6.3379 48.4810 . . 156 2918 100.00 . . . 0.3161 . 0.2538 . . . . . . . . . . # _struct.entry_id 5GS6 _struct.title 'Full-length NS1 structure of Zika virus from 2015 Brazil strain' _struct.pdbx_descriptor 'NS1 of Zika virus from 2015 Brazil strain' _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 5GS6 _struct_keywords.text 'zika virus, NS1, Flavivirus, nonstructual protein 1, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 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 43 ? ASP A 57 ? SER A 38 ASP A 52 1 ? 15 HELX_P HELX_P2 AA2 SER A 66 ? ASN A 87 ? SER A 61 ASN A 82 1 ? 22 HELX_P HELX_P3 AA3 PRO A 149 ? LYS A 151 ? PRO A 144 LYS A 146 5 ? 3 HELX_P HELX_P4 AA4 ASP A 185 ? VAL A 188 ? ASP A 180 VAL A 183 5 ? 4 HELX_P HELX_P5 AA5 PRO A 231 ? THR A 235 ? PRO A 226 THR A 230 5 ? 5 HELX_P HELX_P6 AA6 PRO A 249 ? ALA A 253 ? PRO A 244 ALA A 248 5 ? 5 HELX_P HELX_P7 AA7 SER A 257 ? THR A 261 ? SER A 252 THR A 256 5 ? 5 HELX_P HELX_P8 AA8 PRO A 346 ? LEU A 350 ? PRO A 341 LEU A 345 5 ? 5 HELX_P HELX_P9 AA9 SER B 43 ? ASP B 57 ? SER B 38 ASP B 52 1 ? 15 HELX_P HELX_P10 AB1 SER B 66 ? ASN B 87 ? SER B 61 ASN B 82 1 ? 22 HELX_P HELX_P11 AB2 PRO B 149 ? LYS B 151 ? PRO B 144 LYS B 146 5 ? 3 HELX_P HELX_P12 AB3 ASP B 185 ? VAL B 188 ? ASP B 180 VAL B 183 5 ? 4 HELX_P HELX_P13 AB4 PRO B 231 ? THR B 235 ? PRO B 226 THR B 230 5 ? 5 HELX_P HELX_P14 AB5 GLU B 242 ? LEU B 246 ? GLU B 237 LEU B 241 5 ? 5 HELX_P HELX_P15 AB6 PRO B 249 ? ALA B 253 ? PRO B 244 ALA B 248 5 ? 5 HELX_P HELX_P16 AB7 SER B 257 ? THR B 261 ? SER B 252 THR B 256 5 ? 5 HELX_P HELX_P17 AB8 PRO B 346 ? LEU B 350 ? PRO B 341 LEU B 345 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 9 SG ? ? ? 1_555 A CYS 20 SG ? ? A CYS 4 A CYS 15 1_555 ? ? ? ? ? ? ? 2.029 ? disulf2 disulf ? ? A CYS 60 SG ? ? ? 1_555 A CYS 148 SG ? ? A CYS 55 A CYS 143 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 184 SG ? ? ? 1_555 A CYS 228 SG ? ? A CYS 179 A CYS 223 1_555 ? ? ? ? ? ? ? 2.034 ? disulf4 disulf ? ? A CYS 285 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 280 A CYS 329 1_555 ? ? ? ? ? ? ? 2.031 ? disulf5 disulf ? ? A CYS 296 SG ? ? ? 1_555 A CYS 317 SG ? ? A CYS 291 A CYS 312 1_555 ? ? ? ? ? ? ? 2.038 ? disulf6 disulf ? ? A CYS 318 SG ? ? ? 1_555 A CYS 321 SG ? ? A CYS 313 A CYS 316 1_555 ? ? ? ? ? ? ? 2.029 ? disulf7 disulf ? ? B CYS 9 SG ? ? ? 1_555 B CYS 20 SG ? ? B CYS 4 B CYS 15 1_555 ? ? ? ? ? ? ? 2.046 ? disulf8 disulf ? ? B CYS 60 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 55 B CYS 143 1_555 ? ? ? ? ? ? ? 2.029 ? disulf9 disulf ? ? B CYS 184 SG ? ? ? 1_555 B CYS 228 SG ? ? B CYS 179 B CYS 223 1_555 ? ? ? ? ? ? ? 2.033 ? disulf10 disulf ? ? B CYS 285 SG ? ? ? 1_555 B CYS 334 SG ? ? B CYS 280 B CYS 329 1_555 ? ? ? ? ? ? ? 2.031 ? disulf11 disulf ? ? B CYS 296 SG ? ? ? 1_555 B CYS 317 SG ? ? B CYS 291 B CYS 312 1_555 ? ? ? ? ? ? ? 2.035 ? disulf12 disulf ? ? B CYS 318 SG ? ? ? 1_555 B CYS 321 SG ? ? B CYS 313 B CYS 316 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale one ? A ASN 212 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 207 A NAG 601 1_555 ? ? ? ? ? ? ? 1.456 ? covale2 covale one ? B ASN 212 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 207 B NAG 601 1_555 ? ? ? ? ? ? ? 1.447 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ASN 100 A . ? ASN 95 A PRO 101 A ? PRO 96 A 1 -1.60 2 MET 323 A . ? MET 318 A PRO 324 A ? PRO 319 A 1 0.67 3 ASN 100 B . ? ASN 95 B PRO 101 B ? PRO 96 B 1 -1.70 4 MET 323 B . ? MET 318 B PRO 324 B ? PRO 319 B 1 -1.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 3 ? AA3 ? 4 ? AA4 ? 14 ? AA5 ? 3 ? AA6 ? 3 ? AA7 ? 4 ? AA8 ? 3 ? # 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 ? parallel AA2 2 3 ? anti-parallel AA3 1 2 ? parallel AA3 2 3 ? parallel AA3 3 4 ? parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA4 5 6 ? anti-parallel AA4 6 7 ? anti-parallel AA4 7 8 ? anti-parallel AA4 8 9 ? anti-parallel AA4 9 10 ? anti-parallel AA4 10 11 ? anti-parallel AA4 11 12 ? anti-parallel AA4 12 13 ? anti-parallel AA4 13 14 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? anti-parallel AA6 1 2 ? parallel AA6 2 3 ? anti-parallel AA7 1 2 ? parallel AA7 2 3 ? parallel AA7 3 4 ? parallel AA8 1 2 ? parallel AA8 2 3 ? 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 GLU B 17 ? GLY B 21 ? GLU B 12 GLY B 16 AA1 2 HIS B 6 ? ASP B 12 ? HIS B 1 ASP B 7 AA1 3 VAL A 7 ? ASP A 12 ? VAL A 2 ASP A 7 AA1 4 GLU A 17 ? TYR A 27 ? GLU A 12 TYR A 22 AA1 5 GLY B 23 ? TYR B 27 ? GLY B 18 TYR B 22 AA2 1 LYS A 38 ? PRO A 41 ? LYS A 33 PRO A 36 AA2 2 SER A 171 ? VAL A 176 ? SER A 166 VAL A 171 AA2 3 PHE A 158 ? PHE A 165 ? PHE A 153 PHE A 160 AA3 1 THR A 92 ? VAL A 95 ? THR A 87 VAL A 90 AA3 2 SER A 137 ? VAL A 140 ? SER A 132 VAL A 135 AA3 3 GLY A 61 ? ILE A 62 ? GLY A 56 ILE A 57 AA3 4 ARG A 153 ? ALA A 154 ? ARG A 148 ALA A 149 AA4 1 GLY A 333 ? TYR A 336 ? GLY A 328 TYR A 331 AA4 2 LEU A 326 ? ALA A 330 ? LEU A 321 ALA A 325 AA4 3 LEU A 278 ? PHE A 282 ? LEU A 273 PHE A 277 AA4 4 TRP A 215 ? LEU A 222 ? TRP A 210 LEU A 217 AA4 5 TYR A 205 ? LYS A 211 ? TYR A 200 LYS A 206 AA4 6 GLU A 197 ? SER A 201 ? GLU A 192 SER A 196 AA4 7 GLY A 190 ? LYS A 194 ? GLY A 185 LYS A 189 AA4 8 GLY B 190 ? LYS B 194 ? GLY B 185 LYS B 189 AA4 9 GLU B 197 ? SER B 201 ? GLU B 192 SER B 196 AA4 10 TYR B 205 ? LYS B 211 ? TYR B 200 LYS B 206 AA4 11 TRP B 215 ? LEU B 222 ? TRP B 210 LEU B 217 AA4 12 LEU B 278 ? PHE B 282 ? LEU B 273 PHE B 277 AA4 13 LEU B 326 ? ALA B 330 ? LEU B 321 ALA B 325 AA4 14 GLY B 333 ? TYR B 336 ? GLY B 328 TYR B 331 AA5 1 LYS A 289 ? VAL A 292 ? LYS A 284 VAL A 287 AA5 2 GLU A 315 ? CYS A 318 ? GLU A 310 CYS A 313 AA5 3 ILE A 340 ? PRO A 342 ? ILE A 335 PRO A 337 AA6 1 HIS B 40 ? PRO B 41 ? HIS B 35 PRO B 36 AA6 2 VAL B 172 ? VAL B 176 ? VAL B 167 VAL B 171 AA6 3 PHE B 158 ? PHE B 165 ? PHE B 153 PHE B 160 AA7 1 THR B 92 ? VAL B 95 ? THR B 87 VAL B 90 AA7 2 SER B 137 ? VAL B 140 ? SER B 132 VAL B 135 AA7 3 GLY B 61 ? ILE B 62 ? GLY B 56 ILE B 57 AA7 4 ARG B 153 ? ALA B 154 ? ARG B 148 ALA B 149 AA8 1 LYS B 289 ? VAL B 292 ? LYS B 284 VAL B 287 AA8 2 GLU B 315 ? CYS B 318 ? GLU B 310 CYS B 313 AA8 3 ILE B 340 ? PRO B 342 ? ILE B 335 PRO B 337 # 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 GLY B 21 ? O GLY B 16 N GLY B 8 ? N GLY B 3 AA1 2 3 O CYS B 9 ? O CYS B 4 N CYS A 9 ? N CYS A 4 AA1 3 4 N GLY A 8 ? N GLY A 3 O GLY A 21 ? O GLY A 16 AA1 4 5 N VAL A 24 ? N VAL A 19 O VAL B 26 ? O VAL B 21 AA2 1 2 N HIS A 40 ? N HIS A 35 O VAL A 172 ? O VAL A 167 AA2 2 3 O LYS A 175 ? O LYS A 170 N LEU A 159 ? N LEU A 154 AA3 1 2 N THR A 92 ? N THR A 87 O PHE A 138 ? O PHE A 133 AA3 2 3 O VAL A 139 ? O VAL A 134 N ILE A 62 ? N ILE A 57 AA3 3 4 N GLY A 61 ? N GLY A 56 O ALA A 154 ? O ALA A 149 AA4 1 2 O GLY A 333 ? O GLY A 328 N ALA A 330 ? N ALA A 325 AA4 2 3 O SER A 327 ? O SER A 322 N ARG A 281 ? N ARG A 276 AA4 3 4 O LEU A 278 ? O LEU A 273 N LEU A 222 ? N LEU A 217 AA4 4 5 O ARG A 219 ? O ARG A 214 N GLU A 208 ? N GLU A 203 AA4 5 6 O ILE A 207 ? O ILE A 202 N HIS A 200 ? N HIS A 195 AA4 6 7 O GLU A 197 ? O GLU A 192 N LYS A 194 ? N LYS A 189 AA4 7 8 N THR A 191 ? N THR A 186 O VAL B 193 ? O VAL B 188 AA4 8 9 N LYS B 194 ? N LYS B 189 O GLU B 197 ? O GLU B 192 AA4 9 10 N HIS B 200 ? N HIS B 195 O ILE B 207 ? O ILE B 202 AA4 10 11 N TRP B 206 ? N TRP B 201 O HIS B 221 ? O HIS B 216 AA4 11 12 N ALA B 220 ? N ALA B 215 O ILE B 280 ? O ILE B 275 AA4 12 13 N ARG B 281 ? N ARG B 276 O SER B 327 ? O SER B 322 AA4 13 14 N PHE B 328 ? N PHE B 323 O TRP B 335 ? O TRP B 330 AA5 1 2 N LYS A 289 ? N LYS A 284 O TRP A 316 ? O TRP A 311 AA5 2 3 N CYS A 317 ? N CYS A 312 O ARG A 341 ? O ARG A 336 AA6 1 2 N HIS B 40 ? N HIS B 35 O VAL B 172 ? O VAL B 167 AA6 2 3 O LYS B 175 ? O LYS B 170 N LEU B 159 ? N LEU B 154 AA7 1 2 N THR B 92 ? N THR B 87 O PHE B 138 ? O PHE B 133 AA7 2 3 O VAL B 139 ? O VAL B 134 N ILE B 62 ? N ILE B 57 AA7 3 4 N GLY B 61 ? N GLY B 56 O ALA B 154 ? O ALA B 149 AA8 1 2 N LYS B 289 ? N LYS B 284 O TRP B 316 ? O TRP B 311 AA8 2 3 N CYS B 317 ? N CYS B 312 O ARG B 341 ? O ARG B 336 # 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 601 ? 2 'binding site for Mono-Saccharide NAG A 601 bound to ASN A 207' AC2 Software B NAG 601 ? 4 'binding site for Mono-Saccharide NAG B 601 bound to ASN B 207' # 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 ASN A 212 ? ASN A 207 . ? 1_555 ? 2 AC1 2 ARG A 216 ? ARG A 211 . ? 1_555 ? 3 AC2 4 ASN B 212 ? ASN B 207 . ? 1_555 ? 4 AC2 4 ARG B 216 ? ARG B 211 . ? 1_555 ? 5 AC2 4 ARG B 262 ? ARG B 257 . ? 1_555 ? 6 AC2 4 PRO B 324 ? PRO B 319 . ? 1_555 ? # _atom_sites.entry_id 5GS6 _atom_sites.fract_transf_matrix[1][1] 0.010315 _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] 0.010315 _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] 0.003702 _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 . HIS A 1 6 ? 228.431 82.379 31.386 1.00 76.72 ? 1 HIS A N 1 ATOM 2 C CA . HIS A 1 6 ? 227.838 81.457 30.426 1.00 70.69 ? 1 HIS A CA 1 ATOM 3 C C . HIS A 1 6 ? 227.649 80.061 31.016 1.00 74.74 ? 1 HIS A C 1 ATOM 4 O O . HIS A 1 6 ? 228.354 79.120 30.655 1.00 72.58 ? 1 HIS A O 1 ATOM 5 C CB . HIS A 1 6 ? 228.695 81.369 29.160 1.00 81.39 ? 1 HIS A CB 1 ATOM 6 C CG . HIS A 1 6 ? 229.938 82.202 29.203 1.00 79.47 ? 1 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 6 ? 230.976 81.949 30.074 1.00 93.07 ? 1 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 6 ? 230.314 83.277 28.470 1.00 78.14 ? 1 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 6 ? 231.934 82.838 29.882 1.00 97.85 ? 1 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 6 ? 231.558 83.655 28.914 1.00 98.50 ? 1 HIS A NE2 1 ATOM 11 N N . VAL A 1 7 ? 226.693 79.939 31.928 1.00 75.67 ? 2 VAL A N 1 ATOM 12 C CA . VAL A 1 7 ? 226.310 78.648 32.484 1.00 66.79 ? 2 VAL A CA 1 ATOM 13 C C . VAL A 1 7 ? 224.804 78.501 32.347 1.00 69.37 ? 2 VAL A C 1 ATOM 14 O O . VAL A 1 7 ? 224.065 79.452 32.600 1.00 66.43 ? 2 VAL A O 1 ATOM 15 C CB . VAL A 1 7 ? 226.720 78.512 33.962 1.00 67.14 ? 2 VAL A CB 1 ATOM 16 C CG1 . VAL A 1 7 ? 226.231 77.189 34.537 1.00 72.68 ? 2 VAL A CG1 1 ATOM 17 C CG2 . VAL A 1 7 ? 228.226 78.638 34.109 1.00 72.75 ? 2 VAL A CG2 1 ATOM 18 N N . GLY A 1 8 ? 224.339 77.326 31.935 1.00 72.75 ? 3 GLY A N 1 ATOM 19 C CA . GLY A 1 8 ? 222.914 77.147 31.746 1.00 66.47 ? 3 GLY A CA 1 ATOM 20 C C . GLY A 1 8 ? 222.388 75.739 31.564 1.00 65.45 ? 3 GLY A C 1 ATOM 21 O O . GLY A 1 8 ? 223.146 74.775 31.443 1.00 71.58 ? 3 GLY A O 1 ATOM 22 N N . CYS A 1 9 ? 221.062 75.637 31.551 1.00 58.68 ? 4 CYS A N 1 ATOM 23 C CA . CYS A 1 9 ? 220.366 74.379 31.323 1.00 56.27 ? 4 CYS A CA 1 ATOM 24 C C . CYS A 1 9 ? 219.360 74.561 30.197 1.00 58.03 ? 4 CYS A C 1 ATOM 25 O O . CYS A 1 9 ? 218.917 75.678 29.932 1.00 59.14 ? 4 CYS A O 1 ATOM 26 C CB . CYS A 1 9 ? 219.656 73.904 32.591 1.00 60.19 ? 4 CYS A CB 1 ATOM 27 S SG . CYS A 1 9 ? 220.688 73.896 34.071 1.00 69.77 ? 4 CYS A SG 1 ATOM 28 N N . SER A 1 10 ? 218.997 73.464 29.542 1.00 55.64 ? 5 SER A N 1 ATOM 29 C CA . SER A 1 10 ? 218.072 73.511 28.420 1.00 55.90 ? 5 SER A CA 1 ATOM 30 C C . SER A 1 10 ? 217.327 72.191 28.252 1.00 62.87 ? 5 SER A C 1 ATOM 31 O O . SER A 1 10 ? 217.785 71.138 28.708 1.00 68.91 ? 5 SER A O 1 ATOM 32 C CB . SER A 1 10 ? 218.816 73.856 27.129 1.00 59.02 ? 5 SER A CB 1 ATOM 33 O OG . SER A 1 10 ? 219.750 72.842 26.797 1.00 63.67 ? 5 SER A OG 1 ATOM 34 N N . VAL A 1 11 ? 216.178 72.264 27.588 1.00 55.09 ? 6 VAL A N 1 ATOM 35 C CA . VAL A 1 11 ? 215.359 71.090 27.318 1.00 64.13 ? 6 VAL A CA 1 ATOM 36 C C . VAL A 1 11 ? 214.976 71.022 25.839 1.00 68.22 ? 6 VAL A C 1 ATOM 37 O O . VAL A 1 11 ? 214.594 72.025 25.237 1.00 73.75 ? 6 VAL A O 1 ATOM 38 C CB . VAL A 1 11 ? 214.078 71.084 28.190 1.00 70.33 ? 6 VAL A CB 1 ATOM 39 C CG1 . VAL A 1 11 ? 213.348 72.417 28.092 1.00 60.92 ? 6 VAL A CG1 1 ATOM 40 C CG2 . VAL A 1 11 ? 213.160 69.933 27.801 1.00 69.66 ? 6 VAL A CG2 1 ATOM 41 N N . ASP A 1 12 ? 215.107 69.837 25.254 1.00 71.96 ? 7 ASP A N 1 ATOM 42 C CA . ASP A 1 12 ? 214.655 69.593 23.893 1.00 79.46 ? 7 ASP A CA 1 ATOM 43 C C . ASP A 1 12 ? 213.471 68.632 23.912 1.00 86.40 ? 7 ASP A C 1 ATOM 44 O O . ASP A 1 12 ? 213.635 67.434 24.156 1.00 88.18 ? 7 ASP A O 1 ATOM 45 C CB . ASP A 1 12 ? 215.793 69.037 23.037 1.00 88.40 ? 7 ASP A CB 1 ATOM 46 C CG . ASP A 1 12 ? 215.347 68.671 21.635 1.00 92.90 ? 7 ASP A CG 1 ATOM 47 O OD1 . ASP A 1 12 ? 214.414 69.319 21.114 1.00 92.97 ? 7 ASP A OD1 1 ATOM 48 O OD2 . ASP A 1 12 ? 215.933 67.736 21.054 1.00 97.18 ? 7 ASP A OD2 1 ATOM 49 N N . PHE A 1 13 ? 212.280 69.171 23.667 1.00 73.76 ? 8 PHE A N 1 ATOM 50 C CA . PHE A 1 13 ? 211.050 68.386 23.698 1.00 75.22 ? 8 PHE A CA 1 ATOM 51 C C . PHE A 1 13 ? 210.989 67.392 22.547 1.00 78.64 ? 8 PHE A C 1 ATOM 52 O O . PHE A 1 13 ? 210.482 66.282 22.702 1.00 79.69 ? 8 PHE A O 1 ATOM 53 C CB . PHE A 1 13 ? 209.822 69.298 23.640 1.00 69.89 ? 8 PHE A CB 1 ATOM 54 C CG . PHE A 1 13 ? 209.771 70.330 24.728 1.00 70.73 ? 8 PHE A CG 1 ATOM 55 C CD1 . PHE A 1 13 ? 209.464 69.971 26.030 1.00 68.62 ? 8 PHE A CD1 1 ATOM 56 C CD2 . PHE A 1 13 ? 210.004 71.665 24.445 1.00 71.96 ? 8 PHE A CD2 1 ATOM 57 C CE1 . PHE A 1 13 ? 209.408 70.921 27.031 1.00 61.45 ? 8 PHE A CE1 1 ATOM 58 C CE2 . PHE A 1 13 ? 209.947 72.621 25.441 1.00 66.70 ? 8 PHE A CE2 1 ATOM 59 C CZ . PHE A 1 13 ? 209.649 72.248 26.736 1.00 62.67 ? 8 PHE A CZ 1 ATOM 60 N N . SER A 1 14 ? 211.502 67.809 21.393 1.00 98.96 ? 9 SER A N 1 ATOM 61 C CA . SER A 1 14 ? 211.430 67.013 20.173 1.00 104.55 ? 9 SER A CA 1 ATOM 62 C C . SER A 1 14 ? 212.083 65.646 20.346 1.00 107.18 ? 9 SER A C 1 ATOM 63 O O . SER A 1 14 ? 211.522 64.628 19.942 1.00 111.21 ? 9 SER A O 1 ATOM 64 C CB . SER A 1 14 ? 212.084 67.765 19.011 1.00 106.82 ? 9 SER A CB 1 ATOM 65 O OG . SER A 1 14 ? 211.855 67.102 17.780 1.00 111.97 ? 9 SER A OG 1 ATOM 66 N N . LYS A 1 15 ? 213.265 65.624 20.952 1.00 89.68 ? 10 LYS A N 1 ATOM 67 C CA . LYS A 1 15 ? 213.957 64.369 21.216 1.00 90.94 ? 10 LYS A CA 1 ATOM 68 C C . LYS A 1 15 ? 213.864 64.000 22.693 1.00 90.76 ? 10 LYS A C 1 ATOM 69 O O . LYS A 1 15 ? 214.541 63.080 23.155 1.00 87.64 ? 10 LYS A O 1 ATOM 70 C CB . LYS A 1 15 ? 215.417 64.457 20.771 1.00 95.69 ? 10 LYS A CB 1 ATOM 71 C CG . LYS A 1 15 ? 215.589 64.499 19.261 1.00 102.53 ? 10 LYS A CG 1 ATOM 72 C CD . LYS A 1 15 ? 216.583 65.567 18.842 1.00 105.92 ? 10 LYS A CD 1 ATOM 73 C CE . LYS A 1 15 ? 216.578 65.756 17.336 1.00 107.67 ? 10 LYS A CE 1 ATOM 74 N NZ . LYS A 1 15 ? 215.203 65.994 16.813 1.00 110.49 ? 10 LYS A NZ 1 ATOM 75 N N . LYS A 1 16 ? 213.020 64.731 23.419 1.00 96.29 ? 11 LYS A N 1 ATOM 76 C CA . LYS A 1 16 ? 212.694 64.432 24.814 1.00 92.73 ? 11 LYS A CA 1 ATOM 77 C C . LYS A 1 16 ? 213.940 64.299 25.682 1.00 89.25 ? 11 LYS A C 1 ATOM 78 O O . LYS A 1 16 ? 214.390 63.188 25.969 1.00 93.70 ? 11 LYS A O 1 ATOM 79 C CB . LYS A 1 16 ? 211.854 63.154 24.889 1.00 89.29 ? 11 LYS A CB 1 ATOM 80 C CG . LYS A 1 16 ? 210.612 63.198 24.008 1.00 98.36 ? 11 LYS A CG 1 ATOM 81 C CD . LYS A 1 16 ? 209.985 61.824 23.835 1.00 102.20 ? 11 LYS A CD 1 ATOM 82 C CE . LYS A 1 16 ? 209.419 61.298 25.142 1.00 104.01 ? 11 LYS A CE 1 ATOM 83 N NZ . LYS A 1 16 ? 208.767 59.973 24.957 1.00 108.94 ? 11 LYS A NZ 1 ATOM 84 N N . GLU A 1 17 ? 214.491 65.433 26.107 1.00 103.97 ? 12 GLU A N 1 ATOM 85 C CA . GLU A 1 17 ? 215.769 65.423 26.810 1.00 102.81 ? 12 GLU A CA 1 ATOM 86 C C . GLU A 1 17 ? 216.063 66.713 27.577 1.00 101.81 ? 12 GLU A C 1 ATOM 87 O O . GLU A 1 17 ? 215.593 67.785 27.207 1.00 91.55 ? 12 GLU A O 1 ATOM 88 C CB . GLU A 1 17 ? 216.887 65.151 25.808 1.00 110.62 ? 12 GLU A CB 1 ATOM 89 C CG . GLU A 1 17 ? 216.814 65.993 24.552 1.00 119.65 ? 12 GLU A CG 1 ATOM 90 C CD . GLU A 1 17 ? 217.465 65.312 23.367 1.00 134.73 ? 12 GLU A CD 1 ATOM 91 O OE1 . GLU A 1 17 ? 217.887 66.018 22.427 1.00 145.20 ? 12 GLU A OE1 1 ATOM 92 O OE2 . GLU A 1 17 ? 217.544 64.065 23.373 1.00 139.59 ? 12 GLU A OE2 1 ATOM 93 N N . THR A 1 18 ? 216.842 66.598 28.650 1.00 86.86 ? 13 THR A N 1 ATOM 94 C CA . THR A 1 18 ? 217.221 67.754 29.463 1.00 77.39 ? 13 THR A CA 1 ATOM 95 C C . THR A 1 18 ? 218.715 67.731 29.783 1.00 75.96 ? 13 THR A C 1 ATOM 96 O O . THR A 1 18 ? 219.295 66.666 29.990 1.00 80.31 ? 13 THR A O 1 ATOM 97 C CB . THR A 1 18 ? 216.425 67.809 30.779 1.00 80.55 ? 13 THR A CB 1 ATOM 98 O OG1 . THR A 1 18 ? 216.554 66.560 31.471 1.00 91.14 ? 13 THR A OG1 1 ATOM 99 C CG2 . THR A 1 18 ? 214.953 68.083 30.508 1.00 80.50 ? 13 THR A CG2 1 ATOM 100 N N . ARG A 1 19 ? 219.331 68.908 29.837 1.00 71.53 ? 14 ARG A N 1 ATOM 101 C CA . ARG A 1 19 ? 220.786 68.989 29.952 1.00 66.67 ? 14 ARG A CA 1 ATOM 102 C C . ARG A 1 19 ? 221.260 70.271 30.637 1.00 64.39 ? 14 ARG A C 1 ATOM 103 O O . ARG A 1 19 ? 220.685 71.333 30.436 1.00 69.36 ? 14 ARG A O 1 ATOM 104 C CB . ARG A 1 19 ? 221.404 68.871 28.553 1.00 74.24 ? 14 ARG A CB 1 ATOM 105 C CG . ARG A 1 19 ? 222.758 69.534 28.363 1.00 75.38 ? 14 ARG A CG 1 ATOM 106 C CD . ARG A 1 19 ? 223.887 68.683 28.911 1.00 86.63 ? 14 ARG A CD 1 ATOM 107 N NE . ARG A 1 19 ? 225.194 69.184 28.493 1.00 86.48 ? 14 ARG A NE 1 ATOM 108 C CZ . ARG A 1 19 ? 226.351 68.607 28.799 1.00 97.01 ? 14 ARG A CZ 1 ATOM 109 N NH1 . ARG A 1 19 ? 227.489 69.136 28.373 1.00 90.88 ? 14 ARG A NH1 1 ATOM 110 N NH2 . ARG A 1 19 ? 226.373 67.500 29.531 1.00 103.57 ? 14 ARG A NH2 1 ATOM 111 N N . CYS A 1 20 ? 222.305 70.164 31.452 1.00 59.31 ? 15 CYS A N 1 ATOM 112 C CA . CYS A 1 20 ? 222.937 71.337 32.055 1.00 65.63 ? 15 CYS A CA 1 ATOM 113 C C . CYS A 1 20 ? 224.413 71.414 31.686 1.00 60.09 ? 15 CYS A C 1 ATOM 114 O O . CYS A 1 20 ? 225.003 70.429 31.250 1.00 54.82 ? 15 CYS A O 1 ATOM 115 C CB . CYS A 1 20 ? 222.792 71.317 33.577 1.00 74.53 ? 15 CYS A CB 1 ATOM 116 S SG . CYS A 1 20 ? 221.225 71.944 34.206 1.00 65.44 ? 15 CYS A SG 1 ATOM 117 N N . GLY A 1 21 ? 225.012 72.585 31.869 1.00 61.42 ? 16 GLY A N 1 ATOM 118 C CA . GLY A 1 21 ? 226.436 72.735 31.640 1.00 59.32 ? 16 GLY A CA 1 ATOM 119 C C . GLY A 1 21 ? 226.881 74.138 31.280 1.00 63.67 ? 16 GLY A C 1 ATOM 120 O O . GLY A 1 21 ? 226.136 75.107 31.434 1.00 63.71 ? 16 GLY A O 1 ATOM 121 N N . THR A 1 22 ? 228.115 74.237 30.799 1.00 72.19 ? 17 THR A N 1 ATOM 122 C CA . THR A 1 22 ? 228.697 75.511 30.396 1.00 69.51 ? 17 THR A CA 1 ATOM 123 C C . THR A 1 22 ? 228.948 75.540 28.893 1.00 65.51 ? 17 THR A C 1 ATOM 124 O O . THR A 1 22 ? 229.231 74.510 28.283 1.00 68.80 ? 17 THR A O 1 ATOM 125 C CB . THR A 1 22 ? 230.020 75.782 31.130 1.00 68.08 ? 17 THR A CB 1 ATOM 126 O OG1 . THR A 1 22 ? 231.025 76.149 30.177 1.00 84.63 ? 17 THR A OG1 1 ATOM 127 C CG2 . THR A 1 22 ? 230.479 74.538 31.873 1.00 68.60 ? 17 THR A CG2 1 ATOM 128 N N . GLY A 1 23 ? 228.849 76.722 28.296 1.00 60.83 ? 18 GLY A N 1 ATOM 129 C CA . GLY A 1 23 ? 229.086 76.860 26.871 1.00 59.16 ? 18 GLY A CA 1 ATOM 130 C C . GLY A 1 23 ? 228.628 78.197 26.330 1.00 58.48 ? 18 GLY A C 1 ATOM 131 O O . GLY A 1 23 ? 228.629 79.192 27.045 1.00 58.97 ? 18 GLY A O 1 ATOM 132 N N . VAL A 1 24 ? 228.237 78.223 25.061 1.00 62.30 ? 19 VAL A N 1 ATOM 133 C CA . VAL A 1 24 ? 227.789 79.460 24.431 1.00 64.81 ? 19 VAL A CA 1 ATOM 134 C C . VAL A 1 24 ? 226.336 79.333 23.976 1.00 62.69 ? 19 VAL A C 1 ATOM 135 O O . VAL A 1 24 ? 225.962 78.351 23.332 1.00 56.45 ? 19 VAL A O 1 ATOM 136 C CB . VAL A 1 24 ? 228.689 79.834 23.243 1.00 63.75 ? 19 VAL A CB 1 ATOM 137 C CG1 . VAL A 1 24 ? 228.207 81.118 22.596 1.00 64.72 ? 19 VAL A CG1 1 ATOM 138 C CG2 . VAL A 1 24 ? 230.127 79.986 23.709 1.00 58.44 ? 19 VAL A CG2 1 ATOM 139 N N . PHE A 1 25 ? 225.521 80.325 24.324 1.00 55.51 ? 20 PHE A N 1 ATOM 140 C CA . PHE A 1 25 ? 224.075 80.230 24.136 1.00 54.10 ? 20 PHE A CA 1 ATOM 141 C C . PHE A 1 25 ? 223.502 81.399 23.343 1.00 56.20 ? 20 PHE A C 1 ATOM 142 O O . PHE A 1 25 ? 223.487 82.534 23.818 1.00 54.48 ? 20 PHE A O 1 ATOM 143 C CB . PHE A 1 25 ? 223.377 80.147 25.496 1.00 52.26 ? 20 PHE A CB 1 ATOM 144 C CG . PHE A 1 25 ? 224.037 79.203 26.453 1.00 57.34 ? 20 PHE A CG 1 ATOM 145 C CD1 . PHE A 1 25 ? 224.315 77.899 26.080 1.00 63.70 ? 20 PHE A CD1 1 ATOM 146 C CD2 . PHE A 1 25 ? 224.403 79.625 27.720 1.00 65.49 ? 20 PHE A CD2 1 ATOM 147 C CE1 . PHE A 1 25 ? 224.935 77.031 26.956 1.00 60.32 ? 20 PHE A CE1 1 ATOM 148 C CE2 . PHE A 1 25 ? 225.025 78.760 28.601 1.00 68.11 ? 20 PHE A CE2 1 ATOM 149 C CZ . PHE A 1 25 ? 225.289 77.462 28.218 1.00 65.85 ? 20 PHE A CZ 1 ATOM 150 N N . VAL A 1 26 ? 223.018 81.115 22.139 1.00 53.46 ? 21 VAL A N 1 ATOM 151 C CA . VAL A 1 26 ? 222.384 82.140 21.319 1.00 54.05 ? 21 VAL A CA 1 ATOM 152 C C . VAL A 1 26 ? 220.865 82.056 21.432 1.00 57.92 ? 21 VAL A C 1 ATOM 153 O O . VAL A 1 26 ? 220.249 81.093 20.973 1.00 55.51 ? 21 VAL A O 1 ATOM 154 C CB . VAL A 1 26 ? 222.794 82.021 19.838 1.00 51.72 ? 21 VAL A CB 1 ATOM 155 C CG1 . VAL A 1 26 ? 222.026 83.028 18.992 1.00 50.88 ? 21 VAL A CG1 1 ATOM 156 C CG2 . VAL A 1 26 ? 224.292 82.222 19.687 1.00 46.40 ? 21 VAL A CG2 1 ATOM 157 N N . TYR A 1 27 ? 220.269 83.069 22.052 1.00 56.18 ? 22 TYR A N 1 ATOM 158 C CA . TYR A 1 27 ? 218.825 83.112 22.235 1.00 55.09 ? 22 TYR A CA 1 ATOM 159 C C . TYR A 1 27 ? 218.155 83.955 21.157 1.00 53.59 ? 22 TYR A C 1 ATOM 160 O O . TYR A 1 27 ? 218.792 84.802 20.533 1.00 56.99 ? 22 TYR A O 1 ATOM 161 C CB . TYR A 1 27 ? 218.471 83.670 23.616 1.00 63.13 ? 22 TYR A CB 1 ATOM 162 C CG . TYR A 1 27 ? 218.911 82.815 24.783 1.00 64.78 ? 22 TYR A CG 1 ATOM 163 C CD1 . TYR A 1 27 ? 218.069 81.847 25.316 1.00 62.62 ? 22 TYR A CD1 1 ATOM 164 C CD2 . TYR A 1 27 ? 220.164 82.984 25.362 1.00 60.06 ? 22 TYR A CD2 1 ATOM 165 C CE1 . TYR A 1 27 ? 218.465 81.068 26.389 1.00 60.89 ? 22 TYR A CE1 1 ATOM 166 C CE2 . TYR A 1 27 ? 220.566 82.213 26.435 1.00 59.31 ? 22 TYR A CE2 1 ATOM 167 C CZ . TYR A 1 27 ? 219.714 81.255 26.943 1.00 57.13 ? 22 TYR A CZ 1 ATOM 168 O OH . TYR A 1 27 ? 220.111 80.482 28.010 1.00 55.31 ? 22 TYR A OH 1 ATOM 169 N N . ASN A 1 28 ? 216.865 83.718 20.943 1.00 57.60 ? 23 ASN A N 1 ATOM 170 C CA . ASN A 1 28 ? 216.074 84.559 20.058 1.00 51.98 ? 23 ASN A CA 1 ATOM 171 C C . ASN A 1 28 ? 215.756 85.874 20.755 1.00 59.14 ? 23 ASN A C 1 ATOM 172 O O . ASN A 1 28 ? 214.689 86.036 21.345 1.00 70.57 ? 23 ASN A O 1 ATOM 173 C CB . ASN A 1 28 ? 214.789 83.844 19.632 1.00 54.77 ? 23 ASN A CB 1 ATOM 174 C CG . ASN A 1 28 ? 214.101 84.519 18.455 1.00 56.79 ? 23 ASN A CG 1 ATOM 175 O OD1 . ASN A 1 28 ? 214.139 85.740 18.314 1.00 56.26 ? 23 ASN A OD1 1 ATOM 176 N ND2 . ASN A 1 28 ? 213.466 83.721 17.603 1.00 57.12 ? 23 ASN A ND2 1 ATOM 177 N N . ASP A 1 29 ? 216.699 86.807 20.696 1.00 82.28 ? 24 ASP A N 1 ATOM 178 C CA . ASP A 1 29 ? 216.509 88.128 21.279 1.00 91.16 ? 24 ASP A CA 1 ATOM 179 C C . ASP A 1 29 ? 215.995 89.114 20.243 1.00 93.16 ? 24 ASP A C 1 ATOM 180 O O . ASP A 1 29 ? 216.290 90.306 20.323 1.00 100.92 ? 24 ASP A O 1 ATOM 181 C CB . ASP A 1 29 ? 217.817 88.652 21.880 1.00 97.78 ? 24 ASP A CB 1 ATOM 182 C CG . ASP A 1 29 ? 218.074 88.125 23.276 1.00 104.80 ? 24 ASP A CG 1 ATOM 183 O OD1 . ASP A 1 29 ? 217.398 88.590 24.218 1.00 115.63 ? 24 ASP A OD1 1 ATOM 184 O OD2 . ASP A 1 29 ? 218.959 87.258 23.435 1.00 99.59 ? 24 ASP A OD2 1 ATOM 185 N N . VAL A 1 30 ? 215.233 88.619 19.271 1.00 66.49 ? 25 VAL A N 1 ATOM 186 C CA . VAL A 1 30 ? 214.758 89.469 18.185 1.00 70.12 ? 25 VAL A CA 1 ATOM 187 C C . VAL A 1 30 ? 213.891 90.587 18.752 1.00 75.28 ? 25 VAL A C 1 ATOM 188 O O . VAL A 1 30 ? 213.262 90.422 19.801 1.00 75.16 ? 25 VAL A O 1 ATOM 189 C CB . VAL A 1 30 ? 213.986 88.662 17.114 1.00 62.19 ? 25 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 30 ? 212.493 88.979 17.138 1.00 65.93 ? 25 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 30 ? 214.574 88.930 15.736 1.00 51.76 ? 25 VAL A CG2 1 ATOM 192 N N . GLU A 1 31 ? 213.896 91.721 18.053 1.00 106.58 ? 26 GLU A N 1 ATOM 193 C CA . GLU A 1 31 ? 213.335 92.980 18.539 1.00 111.93 ? 26 GLU A CA 1 ATOM 194 C C . GLU A 1 31 ? 214.145 93.479 19.733 1.00 113.73 ? 26 GLU A C 1 ATOM 195 O O . GLU A 1 31 ? 214.028 92.946 20.838 1.00 115.68 ? 26 GLU A O 1 ATOM 196 C CB . GLU A 1 31 ? 211.856 92.831 18.918 1.00 103.44 ? 26 GLU A CB 1 ATOM 197 C CG . GLU A 1 31 ? 211.075 94.132 18.916 1.00 113.46 ? 26 GLU A CG 1 ATOM 198 C CD . GLU A 1 31 ? 210.122 94.224 17.741 1.00 121.47 ? 26 GLU A CD 1 ATOM 199 O OE1 . GLU A 1 31 ? 209.400 93.236 17.486 1.00 109.39 ? 26 GLU A OE1 1 ATOM 200 O OE2 . GLU A 1 31 ? 210.100 95.278 17.069 1.00 115.36 ? 26 GLU A OE2 1 ATOM 201 N N . ALA A 1 32 ? 214.988 94.481 19.497 1.00 103.70 ? 27 ALA A N 1 ATOM 202 C CA . ALA A 1 32 ? 215.678 95.162 20.583 1.00 107.20 ? 27 ALA A CA 1 ATOM 203 C C . ALA A 1 32 ? 214.622 95.667 21.547 1.00 124.50 ? 27 ALA A C 1 ATOM 204 O O . ALA A 1 32 ? 214.131 96.786 21.394 1.00 128.44 ? 27 ALA A O 1 ATOM 205 C CB . ALA A 1 32 ? 216.530 96.305 20.060 1.00 107.03 ? 27 ALA A CB 1 ATOM 206 N N . TRP A 1 33 ? 214.281 94.821 22.522 1.00 128.97 ? 28 TRP A N 1 ATOM 207 C CA . TRP A 1 33 ? 213.085 94.975 23.355 1.00 135.44 ? 28 TRP A CA 1 ATOM 208 C C . TRP A 1 33 ? 212.805 96.421 23.737 1.00 136.17 ? 28 TRP A C 1 ATOM 209 O O . TRP A 1 33 ? 213.194 96.893 24.806 1.00 132.98 ? 28 TRP A O 1 ATOM 210 C CB . TRP A 1 33 ? 213.195 94.103 24.610 1.00 127.95 ? 28 TRP A CB 1 ATOM 211 C CG . TRP A 1 33 ? 213.225 92.627 24.302 1.00 133.43 ? 28 TRP A CG 1 ATOM 212 C CD1 . TRP A 1 33 ? 214.175 91.727 24.690 1.00 134.04 ? 28 TRP A CD1 1 ATOM 213 C CD2 . TRP A 1 33 ? 212.269 91.889 23.523 1.00 129.45 ? 28 TRP A CD2 1 ATOM 214 N NE1 . TRP A 1 33 ? 213.867 90.475 24.212 1.00 127.54 ? 28 TRP A NE1 1 ATOM 215 C CE2 . TRP A 1 33 ? 212.703 90.548 23.492 1.00 125.85 ? 28 TRP A CE2 1 ATOM 216 C CE3 . TRP A 1 33 ? 211.087 92.231 22.855 1.00 126.15 ? 28 TRP A CE3 1 ATOM 217 C CZ2 . TRP A 1 33 ? 211.998 89.550 22.819 1.00 130.44 ? 28 TRP A CZ2 1 ATOM 218 C CZ3 . TRP A 1 33 ? 210.391 91.239 22.186 1.00 123.87 ? 28 TRP A CZ3 1 ATOM 219 C CH2 . TRP A 1 33 ? 210.848 89.915 22.173 1.00 129.04 ? 28 TRP A CH2 1 ATOM 220 N N . ARG A 1 34 ? 212.113 97.098 22.823 1.00 116.42 ? 29 ARG A N 1 ATOM 221 C CA . ARG A 1 34 ? 211.856 98.535 22.867 1.00 125.17 ? 29 ARG A CA 1 ATOM 222 C C . ARG A 1 34 ? 211.371 99.067 24.212 1.00 129.40 ? 29 ARG A C 1 ATOM 223 O O . ARG A 1 34 ? 211.590 100.235 24.534 1.00 129.34 ? 29 ARG A O 1 ATOM 224 C CB . ARG A 1 34 ? 210.837 98.893 21.783 1.00 132.62 ? 29 ARG A CB 1 ATOM 225 C CG . ARG A 1 34 ? 209.785 97.819 21.545 1.00 130.44 ? 29 ARG A CG 1 ATOM 226 N N . ASP A 1 35 ? 210.715 98.216 24.993 1.00 145.93 ? 30 ASP A N 1 ATOM 227 C CA . ASP A 1 35 ? 210.221 98.618 26.304 1.00 154.02 ? 30 ASP A CA 1 ATOM 228 C C . ASP A 1 35 ? 211.367 98.830 27.290 1.00 148.21 ? 30 ASP A C 1 ATOM 229 O O . ASP A 1 35 ? 211.247 99.606 28.238 1.00 145.09 ? 30 ASP A O 1 ATOM 230 C CB . ASP A 1 35 ? 209.246 97.573 26.851 1.00 151.41 ? 30 ASP A CB 1 ATOM 231 C CG . ASP A 1 35 ? 208.052 97.359 25.942 1.00 142.51 ? 30 ASP A CG 1 ATOM 232 N N . ARG A 1 36 ? 212.523 98.169 27.070 1.00 135.12 ? 31 ARG A N 1 ATOM 233 C CA . ARG A 1 36 ? 213.576 98.090 28.122 1.00 134.55 ? 31 ARG A CA 1 ATOM 234 C C . ARG A 1 36 ? 215.123 97.946 27.868 1.00 131.06 ? 31 ARG A C 1 ATOM 235 O O . ARG A 1 36 ? 215.668 96.876 28.079 1.00 123.87 ? 31 ARG A O 1 ATOM 236 C CB . ARG A 1 36 ? 213.171 96.973 29.104 1.00 128.88 ? 31 ARG A CB 1 ATOM 237 C CG . ARG A 1 36 ? 212.914 97.418 30.541 1.00 134.29 ? 31 ARG A CG 1 ATOM 238 C CD . ARG A 1 36 ? 211.429 97.642 30.812 1.00 145.29 ? 31 ARG A CD 1 ATOM 239 N NE . ARG A 1 36 ? 211.187 98.297 32.094 1.00 157.52 ? 31 ARG A NE 1 ATOM 240 C CZ . ARG A 1 36 ? 210.165 99.110 32.344 1.00 155.14 ? 31 ARG A CZ 1 ATOM 241 N NH1 . ARG A 1 36 ? 210.034 99.654 33.543 1.00 151.51 ? 31 ARG A NH1 1 ATOM 242 N NH2 . ARG A 1 36 ? 209.275 99.382 31.400 1.00 153.63 ? 31 ARG A NH2 1 ATOM 243 N N . TYR A 1 37 ? 215.714 99.094 27.536 1.00 96.08 ? 32 TYR A N 1 ATOM 244 C CA . TYR A 1 37 ? 217.133 99.351 27.587 1.00 84.66 ? 32 TYR A CA 1 ATOM 245 C C . TYR A 1 37 ? 217.328 100.851 27.768 1.00 83.28 ? 32 TYR A C 1 ATOM 246 O O . TYR A 1 37 ? 216.592 101.613 27.171 1.00 80.50 ? 32 TYR A O 1 ATOM 247 C CB . TYR A 1 37 ? 217.764 98.936 26.280 1.00 78.23 ? 32 TYR A CB 1 ATOM 248 C CG . TYR A 1 37 ? 217.932 97.464 26.109 1.00 79.68 ? 32 TYR A CG 1 ATOM 249 C CD1 . TYR A 1 37 ? 217.005 96.730 25.432 1.00 85.50 ? 32 TYR A CD1 1 ATOM 250 C CD2 . TYR A 1 37 ? 219.033 96.820 26.595 1.00 82.86 ? 32 TYR A CD2 1 ATOM 251 C CE1 . TYR A 1 37 ? 217.161 95.384 25.259 1.00 89.43 ? 32 TYR A CE1 1 ATOM 252 C CE2 . TYR A 1 37 ? 219.197 95.471 26.429 1.00 81.06 ? 32 TYR A CE2 1 ATOM 253 C CZ . TYR A 1 37 ? 218.254 94.764 25.760 1.00 80.40 ? 32 TYR A CZ 1 ATOM 254 O OH . TYR A 1 37 ? 218.417 93.425 25.594 1.00 82.10 ? 32 TYR A OH 1 ATOM 255 N N . LYS A 1 38 ? 218.298 101.276 28.582 1.00 83.91 ? 33 LYS A N 1 ATOM 256 C CA . LYS A 1 38 ? 218.745 102.668 28.592 1.00 78.94 ? 33 LYS A CA 1 ATOM 257 C C . LYS A 1 38 ? 219.988 102.802 27.725 1.00 79.35 ? 33 LYS A C 1 ATOM 258 O O . LYS A 1 38 ? 220.886 101.966 27.792 1.00 80.73 ? 33 LYS A O 1 ATOM 259 C CB . LYS A 1 38 ? 219.048 103.154 30.012 1.00 77.79 ? 33 LYS A CB 1 ATOM 260 C CG . LYS A 1 38 ? 217.862 103.744 30.751 1.00 75.67 ? 33 LYS A CG 1 ATOM 261 C CD . LYS A 1 38 ? 217.222 102.722 31.670 1.00 89.32 ? 33 LYS A CD 1 ATOM 262 C CE . LYS A 1 38 ? 215.783 102.449 31.275 1.00 97.66 ? 33 LYS A CE 1 ATOM 263 N NZ . LYS A 1 38 ? 215.193 101.346 32.080 1.00 102.46 ? 33 LYS A NZ 1 ATOM 264 N N . TYR A 1 39 ? 220.051 103.854 26.918 1.00 71.01 ? 34 TYR A N 1 ATOM 265 C CA . TYR A 1 39 ? 221.162 104.005 25.990 1.00 66.44 ? 34 TYR A CA 1 ATOM 266 C C . TYR A 1 39 ? 222.116 105.112 26.413 1.00 67.32 ? 34 TYR A C 1 ATOM 267 O O . TYR A 1 39 ? 221.696 106.167 26.888 1.00 70.09 ? 34 TYR A O 1 ATOM 268 C CB . TYR A 1 39 ? 220.637 104.266 24.578 1.00 63.80 ? 34 TYR A CB 1 ATOM 269 C CG . TYR A 1 39 ? 219.663 103.212 24.103 1.00 62.84 ? 34 TYR A CG 1 ATOM 270 C CD1 . TYR A 1 39 ? 220.111 102.037 23.514 1.00 61.53 ? 34 TYR A CD1 1 ATOM 271 C CD2 . TYR A 1 39 ? 218.293 103.387 24.253 1.00 64.59 ? 34 TYR A CD2 1 ATOM 272 C CE1 . TYR A 1 39 ? 219.222 101.070 23.084 1.00 62.32 ? 34 TYR A CE1 1 ATOM 273 C CE2 . TYR A 1 39 ? 217.398 102.425 23.827 1.00 65.86 ? 34 TYR A CE2 1 ATOM 274 C CZ . TYR A 1 39 ? 217.868 101.268 23.243 1.00 65.91 ? 34 TYR A CZ 1 ATOM 275 O OH . TYR A 1 39 ? 216.980 100.307 22.817 1.00 71.21 ? 34 TYR A OH 1 ATOM 276 N N . HIS A 1 40 ? 223.407 104.851 26.240 1.00 77.62 ? 35 HIS A N 1 ATOM 277 C CA . HIS A 1 40 ? 224.445 105.824 26.547 1.00 70.73 ? 35 HIS A CA 1 ATOM 278 C C . HIS A 1 40 ? 225.329 106.073 25.326 1.00 69.87 ? 35 HIS A C 1 ATOM 279 O O . HIS A 1 40 ? 226.460 105.584 25.260 1.00 72.22 ? 35 HIS A O 1 ATOM 280 C CB . HIS A 1 40 ? 225.297 105.346 27.726 1.00 74.47 ? 35 HIS A CB 1 ATOM 281 C CG . HIS A 1 40 ? 224.499 104.924 28.923 1.00 79.93 ? 35 HIS A CG 1 ATOM 282 N ND1 . HIS A 1 40 ? 224.197 105.783 29.958 1.00 73.47 ? 35 HIS A ND1 1 ATOM 283 C CD2 . HIS A 1 40 ? 223.949 103.731 29.251 1.00 82.27 ? 35 HIS A CD2 1 ATOM 284 C CE1 . HIS A 1 40 ? 223.491 105.137 30.870 1.00 79.93 ? 35 HIS A CE1 1 ATOM 285 N NE2 . HIS A 1 40 ? 223.327 103.891 30.465 1.00 87.50 ? 35 HIS A NE2 1 ATOM 286 N N . PRO A 1 41 ? 224.809 106.826 24.342 1.00 64.30 ? 36 PRO A N 1 ATOM 287 C CA . PRO A 1 41 ? 225.604 107.177 23.161 1.00 68.50 ? 36 PRO A CA 1 ATOM 288 C C . PRO A 1 41 ? 226.641 108.251 23.487 1.00 73.00 ? 36 PRO A C 1 ATOM 289 O O . PRO A 1 41 ? 226.337 109.445 23.419 1.00 74.81 ? 36 PRO A O 1 ATOM 290 C CB . PRO A 1 41 ? 224.552 107.693 22.177 1.00 66.08 ? 36 PRO A CB 1 ATOM 291 C CG . PRO A 1 41 ? 223.479 108.249 23.048 1.00 70.91 ? 36 PRO A CG 1 ATOM 292 C CD . PRO A 1 41 ? 223.445 107.382 24.277 1.00 61.77 ? 36 PRO A CD 1 ATOM 293 N N . ASP A 1 42 ? 227.847 107.814 23.846 1.00 74.63 ? 37 ASP A N 1 ATOM 294 C CA . ASP A 1 42 ? 228.911 108.702 24.320 1.00 75.96 ? 37 ASP A CA 1 ATOM 295 C C . ASP A 1 42 ? 228.490 109.497 25.547 1.00 85.35 ? 37 ASP A C 1 ATOM 296 O O . ASP A 1 42 ? 227.450 109.234 26.153 1.00 82.45 ? 37 ASP A O 1 ATOM 297 C CB . ASP A 1 42 ? 229.352 109.671 23.218 1.00 76.42 ? 37 ASP A CB 1 ATOM 298 C CG . ASP A 1 42 ? 230.435 109.098 22.336 1.00 85.48 ? 37 ASP A CG 1 ATOM 299 O OD1 . ASP A 1 42 ? 231.624 109.234 22.693 1.00 85.79 ? 37 ASP A OD1 1 ATOM 300 O OD2 . ASP A 1 42 ? 230.100 108.521 21.284 1.00 78.50 ? 37 ASP A OD2 1 ATOM 301 N N . SER A 1 43 ? 229.321 110.464 25.920 1.00 100.07 ? 38 SER A N 1 ATOM 302 C CA . SER A 1 43 ? 228.920 111.463 26.893 1.00 98.90 ? 38 SER A CA 1 ATOM 303 C C . SER A 1 43 ? 228.017 112.448 26.168 1.00 97.11 ? 38 SER A C 1 ATOM 304 O O . SER A 1 43 ? 228.232 112.723 24.987 1.00 93.11 ? 38 SER A O 1 ATOM 305 C CB . SER A 1 43 ? 230.133 112.168 27.507 1.00 107.33 ? 38 SER A CB 1 ATOM 306 O OG . SER A 1 43 ? 230.850 112.906 26.533 1.00 105.17 ? 38 SER A OG 1 ATOM 307 N N . PRO A 1 44 ? 226.989 112.958 26.863 1.00 85.24 ? 39 PRO A N 1 ATOM 308 C CA . PRO A 1 44 ? 226.033 113.925 26.313 1.00 82.93 ? 39 PRO A CA 1 ATOM 309 C C . PRO A 1 44 ? 226.699 115.075 25.560 1.00 81.43 ? 39 PRO A C 1 ATOM 310 O O . PRO A 1 44 ? 226.271 115.438 24.459 1.00 83.55 ? 39 PRO A O 1 ATOM 311 C CB . PRO A 1 44 ? 225.313 114.430 27.561 1.00 84.89 ? 39 PRO A CB 1 ATOM 312 C CG . PRO A 1 44 ? 225.329 113.264 28.480 1.00 83.18 ? 39 PRO A CG 1 ATOM 313 C CD . PRO A 1 44 ? 226.649 112.579 28.246 1.00 82.17 ? 39 PRO A CD 1 ATOM 314 N N . ARG A 1 45 ? 227.754 115.622 26.151 1.00 86.59 ? 40 ARG A N 1 ATOM 315 C CA . ARG A 1 45 ? 228.479 116.738 25.561 1.00 88.00 ? 40 ARG A CA 1 ATOM 316 C C . ARG A 1 45 ? 229.175 116.340 24.264 1.00 89.32 ? 40 ARG A C 1 ATOM 317 O O . ARG A 1 45 ? 229.156 117.089 23.283 1.00 94.37 ? 40 ARG A O 1 ATOM 318 C CB . ARG A 1 45 ? 229.498 117.284 26.559 1.00 90.75 ? 40 ARG A CB 1 ATOM 319 C CG . ARG A 1 45 ? 228.957 117.406 27.971 1.00 93.44 ? 40 ARG A CG 1 ATOM 320 C CD . ARG A 1 45 ? 229.539 118.610 28.685 1.00 88.06 ? 40 ARG A CD 1 ATOM 321 N NE . ARG A 1 45 ? 230.986 118.526 28.846 1.00 92.53 ? 40 ARG A NE 1 ATOM 322 C CZ . ARG A 1 45 ? 231.591 118.118 29.956 1.00 94.16 ? 40 ARG A CZ 1 ATOM 323 N NH1 . ARG A 1 45 ? 230.872 117.751 31.008 1.00 97.25 ? 40 ARG A NH1 1 ATOM 324 N NH2 . ARG A 1 45 ? 232.914 118.075 30.014 1.00 104.62 ? 40 ARG A NH2 1 ATOM 325 N N . ARG A 1 46 ? 229.787 115.160 24.263 1.00 92.36 ? 41 ARG A N 1 ATOM 326 C CA . ARG A 1 46 ? 230.506 114.676 23.090 1.00 89.86 ? 41 ARG A CA 1 ATOM 327 C C . ARG A 1 46 ? 229.538 114.474 21.926 1.00 89.63 ? 41 ARG A C 1 ATOM 328 O O . ARG A 1 46 ? 229.824 114.863 20.790 1.00 90.18 ? 41 ARG A O 1 ATOM 329 C CB . ARG A 1 46 ? 231.252 113.376 23.410 1.00 84.93 ? 41 ARG A CB 1 ATOM 330 C CG . ARG A 1 46 ? 232.554 113.198 22.635 1.00 94.51 ? 41 ARG A CG 1 ATOM 331 C CD . ARG A 1 46 ? 233.284 111.916 23.024 1.00 94.44 ? 41 ARG A CD 1 ATOM 332 N NE . ARG A 1 46 ? 233.874 111.978 24.360 1.00 104.36 ? 41 ARG A NE 1 ATOM 333 C CZ . ARG A 1 46 ? 234.493 110.959 24.950 1.00 113.49 ? 41 ARG A CZ 1 ATOM 334 N NH1 . ARG A 1 46 ? 234.600 109.794 24.325 1.00 105.91 ? 41 ARG A NH1 1 ATOM 335 N NH2 . ARG A 1 46 ? 235.003 111.101 26.167 1.00 112.91 ? 41 ARG A NH2 1 ATOM 336 N N . LEU A 1 47 ? 228.383 113.883 22.219 1.00 74.99 ? 42 LEU A N 1 ATOM 337 C CA . LEU A 1 47 ? 227.363 113.661 21.202 1.00 73.62 ? 42 LEU A CA 1 ATOM 338 C C . LEU A 1 47 ? 226.840 114.987 20.662 1.00 78.60 ? 42 LEU A C 1 ATOM 339 O O . LEU A 1 47 ? 226.713 115.164 19.447 1.00 81.91 ? 42 LEU A O 1 ATOM 340 C CB . LEU A 1 47 ? 226.208 112.830 21.764 1.00 77.80 ? 42 LEU A CB 1 ATOM 341 C CG . LEU A 1 47 ? 225.141 112.422 20.745 1.00 66.71 ? 42 LEU A CG 1 ATOM 342 C CD1 . LEU A 1 47 ? 225.761 111.586 19.638 1.00 61.42 ? 42 LEU A CD1 1 ATOM 343 C CD2 . LEU A 1 47 ? 224.001 111.671 21.415 1.00 61.38 ? 42 LEU A CD2 1 ATOM 344 N N . ALA A 1 48 ? 226.543 115.913 21.571 1.00 80.19 ? 43 ALA A N 1 ATOM 345 C CA . ALA A 1 48 ? 226.077 117.244 21.190 1.00 78.96 ? 43 ALA A CA 1 ATOM 346 C C . ALA A 1 48 ? 227.062 117.919 20.238 1.00 82.16 ? 43 ALA A C 1 ATOM 347 O O . ALA A 1 48 ? 226.669 118.493 19.216 1.00 76.25 ? 43 ALA A O 1 ATOM 348 C CB . ALA A 1 48 ? 225.862 118.101 22.426 1.00 73.15 ? 43 ALA A CB 1 ATOM 349 N N . ALA A 1 49 ? 228.344 117.832 20.577 1.00 85.98 ? 44 ALA A N 1 ATOM 350 C CA . ALA A 1 49 ? 229.398 118.384 19.736 1.00 87.05 ? 44 ALA A CA 1 ATOM 351 C C . ALA A 1 49 ? 229.410 117.709 18.370 1.00 84.90 ? 44 ALA A C 1 ATOM 352 O O . ALA A 1 49 ? 229.560 118.372 17.342 1.00 87.25 ? 44 ALA A O 1 ATOM 353 C CB . ALA A 1 49 ? 230.751 118.235 20.414 1.00 90.98 ? 44 ALA A CB 1 ATOM 354 N N . ALA A 1 50 ? 229.244 116.389 18.367 1.00 90.02 ? 45 ALA A N 1 ATOM 355 C CA . ALA A 1 50 ? 229.233 115.623 17.126 1.00 88.52 ? 45 ALA A CA 1 ATOM 356 C C . ALA A 1 50 ? 228.080 116.048 16.220 1.00 87.74 ? 45 ALA A C 1 ATOM 357 O O . ALA A 1 50 ? 228.212 116.046 14.997 1.00 88.00 ? 45 ALA A O 1 ATOM 358 C CB . ALA A 1 50 ? 229.154 114.133 17.422 1.00 83.79 ? 45 ALA A CB 1 ATOM 359 N N . VAL A 1 51 ? 226.954 116.418 16.821 1.00 84.34 ? 46 VAL A N 1 ATOM 360 C CA . VAL A 1 51 ? 225.799 116.860 16.045 1.00 87.27 ? 46 VAL A CA 1 ATOM 361 C C . VAL A 1 51 ? 225.999 118.283 15.520 1.00 88.90 ? 46 VAL A C 1 ATOM 362 O O . VAL A 1 51 ? 225.673 118.581 14.362 1.00 92.28 ? 46 VAL A O 1 ATOM 363 C CB . VAL A 1 51 ? 224.504 116.792 16.873 1.00 86.36 ? 46 VAL A CB 1 ATOM 364 C CG1 . VAL A 1 51 ? 223.318 117.265 16.046 1.00 82.68 ? 46 VAL A CG1 1 ATOM 365 C CG2 . VAL A 1 51 ? 224.271 115.374 17.365 1.00 82.32 ? 46 VAL A CG2 1 ATOM 366 N N . LYS A 1 52 ? 226.538 119.157 16.368 1.00 104.02 ? 47 LYS A N 1 ATOM 367 C CA . LYS A 1 52 ? 226.857 120.514 15.935 1.00 107.93 ? 47 LYS A CA 1 ATOM 368 C C . LYS A 1 52 ? 227.783 120.468 14.724 1.00 107.99 ? 47 LYS A C 1 ATOM 369 O O . LYS A 1 52 ? 227.507 121.087 13.694 1.00 109.19 ? 47 LYS A O 1 ATOM 370 C CB . LYS A 1 52 ? 227.511 121.324 17.055 1.00 107.66 ? 47 LYS A CB 1 ATOM 371 C CG . LYS A 1 52 ? 227.874 122.735 16.618 1.00 113.26 ? 47 LYS A CG 1 ATOM 372 C CD . LYS A 1 52 ? 229.052 123.299 17.391 1.00 122.67 ? 47 LYS A CD 1 ATOM 373 C CE . LYS A 1 52 ? 228.612 123.945 18.689 1.00 124.53 ? 47 LYS A CE 1 ATOM 374 N NZ . LYS A 1 52 ? 229.738 124.669 19.340 1.00 138.73 ? 47 LYS A NZ 1 ATOM 375 N N . GLN A 1 53 ? 228.873 119.716 14.855 1.00 89.68 ? 48 GLN A N 1 ATOM 376 C CA . GLN A 1 53 ? 229.802 119.521 13.749 1.00 86.23 ? 48 GLN A CA 1 ATOM 377 C C . GLN A 1 53 ? 229.115 118.861 12.560 1.00 97.26 ? 48 GLN A C 1 ATOM 378 O O . GLN A 1 53 ? 229.456 119.137 11.410 1.00 99.31 ? 48 GLN A O 1 ATOM 379 C CB . GLN A 1 53 ? 230.999 118.675 14.184 1.00 86.01 ? 48 GLN A CB 1 ATOM 380 C CG . GLN A 1 53 ? 232.279 119.464 14.389 1.00 93.46 ? 48 GLN A CG 1 ATOM 381 C CD . GLN A 1 53 ? 233.518 118.646 14.081 1.00 92.54 ? 48 GLN A CD 1 ATOM 382 O OE1 . GLN A 1 53 ? 233.565 117.922 13.085 1.00 87.49 ? 48 GLN A OE1 1 ATOM 383 N NE2 . GLN A 1 53 ? 234.527 118.754 14.936 1.00 99.92 ? 48 GLN A NE2 1 ATOM 384 N N . ALA A 1 54 ? 228.150 117.988 12.842 1.00 95.40 ? 49 ALA A N 1 ATOM 385 C CA . ALA A 1 54 ? 227.418 117.303 11.784 1.00 90.22 ? 49 ALA A CA 1 ATOM 386 C C . ALA A 1 54 ? 226.703 118.307 10.889 1.00 95.83 ? 49 ALA A C 1 ATOM 387 O O . ALA A 1 54 ? 226.827 118.244 9.665 1.00 91.72 ? 49 ALA A O 1 ATOM 388 C CB . ALA A 1 54 ? 226.429 116.308 12.367 1.00 82.74 ? 49 ALA A CB 1 ATOM 389 N N . TRP A 1 55 ? 225.965 119.238 11.490 1.00 94.56 ? 50 TRP A N 1 ATOM 390 C CA . TRP A 1 55 ? 225.322 120.277 10.690 1.00 103.50 ? 50 TRP A CA 1 ATOM 391 C C . TRP A 1 55 ? 226.387 121.147 10.028 1.00 114.63 ? 50 TRP A C 1 ATOM 392 O O . TRP A 1 55 ? 226.340 121.394 8.823 1.00 116.29 ? 50 TRP A O 1 ATOM 393 C CB . TRP A 1 55 ? 224.384 121.145 11.537 1.00 109.51 ? 50 TRP A CB 1 ATOM 394 C CG . TRP A 1 55 ? 223.069 121.468 10.859 1.00 120.64 ? 50 TRP A CG 1 ATOM 395 C CD1 . TRP A 1 55 ? 221.824 121.099 11.278 1.00 117.70 ? 50 TRP A CD1 1 ATOM 396 C CD2 . TRP A 1 55 ? 222.875 122.210 9.642 1.00 127.60 ? 50 TRP A CD2 1 ATOM 397 N NE1 . TRP A 1 55 ? 220.869 121.568 10.407 1.00 116.78 ? 50 TRP A NE1 1 ATOM 398 C CE2 . TRP A 1 55 ? 221.488 122.252 9.395 1.00 125.89 ? 50 TRP A CE2 1 ATOM 399 C CE3 . TRP A 1 55 ? 223.738 122.844 8.743 1.00 129.92 ? 50 TRP A CE3 1 ATOM 400 C CZ2 . TRP A 1 55 ? 220.945 122.901 8.286 1.00 130.86 ? 50 TRP A CZ2 1 ATOM 401 C CZ3 . TRP A 1 55 ? 223.197 123.487 7.641 1.00 132.56 ? 50 TRP A CZ3 1 ATOM 402 C CH2 . TRP A 1 55 ? 221.814 123.511 7.424 1.00 132.00 ? 50 TRP A CH2 1 ATOM 403 N N . GLU A 1 56 ? 227.367 121.581 10.816 1.00 104.01 ? 51 GLU A N 1 ATOM 404 C CA . GLU A 1 56 ? 228.388 122.513 10.338 1.00 98.94 ? 51 GLU A CA 1 ATOM 405 C C . GLU A 1 56 ? 229.287 121.945 9.234 1.00 97.96 ? 51 GLU A C 1 ATOM 406 O O . GLU A 1 56 ? 230.083 122.676 8.645 1.00 106.44 ? 51 GLU A O 1 ATOM 407 C CB . GLU A 1 56 ? 229.257 122.982 11.507 1.00 102.08 ? 51 GLU A CB 1 ATOM 408 C CG . GLU A 1 56 ? 228.537 123.889 12.494 1.00 100.58 ? 51 GLU A CG 1 ATOM 409 C CD . GLU A 1 56 ? 229.406 124.268 13.678 1.00 105.22 ? 51 GLU A CD 1 ATOM 410 O OE1 . GLU A 1 56 ? 228.918 125.002 14.563 1.00 107.65 ? 51 GLU A OE1 1 ATOM 411 O OE2 . GLU A 1 56 ? 230.576 123.832 13.724 1.00 102.26 ? 51 GLU A OE2 1 ATOM 412 N N . ASP A 1 57 ? 229.165 120.652 8.953 1.00 100.44 ? 52 ASP A N 1 ATOM 413 C CA . ASP A 1 57 ? 229.959 120.040 7.892 1.00 97.59 ? 52 ASP A CA 1 ATOM 414 C C . ASP A 1 57 ? 229.089 119.509 6.755 1.00 94.18 ? 52 ASP A C 1 ATOM 415 O O . ASP A 1 57 ? 229.573 118.803 5.871 1.00 90.89 ? 52 ASP A O 1 ATOM 416 C CB . ASP A 1 57 ? 230.831 118.917 8.457 1.00 93.49 ? 52 ASP A CB 1 ATOM 417 C CG . ASP A 1 57 ? 232.070 119.441 9.162 1.00 114.84 ? 52 ASP A CG 1 ATOM 418 O OD1 . ASP A 1 57 ? 231.951 119.908 10.314 1.00 116.21 ? 52 ASP A OD1 1 ATOM 419 O OD2 . ASP A 1 57 ? 233.166 119.383 8.564 1.00 115.02 ? 52 ASP A OD2 1 ATOM 420 N N . GLY A 1 58 ? 227.804 119.852 6.782 1.00 82.97 ? 53 GLY A N 1 ATOM 421 C CA . GLY A 1 58 ? 226.909 119.517 5.689 1.00 81.09 ? 53 GLY A CA 1 ATOM 422 C C . GLY A 1 58 ? 225.882 118.443 5.996 1.00 94.65 ? 53 GLY A C 1 ATOM 423 O O . GLY A 1 58 ? 224.833 118.381 5.354 1.00 93.45 ? 53 GLY A O 1 ATOM 424 N N . ILE A 1 59 ? 226.180 117.591 6.970 1.00 94.49 ? 54 ILE A N 1 ATOM 425 C CA . ILE A 1 59 ? 225.274 116.506 7.325 1.00 86.79 ? 54 ILE A CA 1 ATOM 426 C C . ILE A 1 59 ? 224.025 117.046 8.013 1.00 83.27 ? 54 ILE A C 1 ATOM 427 O O . ILE A 1 59 ? 224.081 117.536 9.142 1.00 82.83 ? 54 ILE A O 1 ATOM 428 C CB . ILE A 1 59 ? 225.959 115.470 8.232 1.00 82.47 ? 54 ILE A CB 1 ATOM 429 C CG1 . ILE A 1 59 ? 227.174 114.872 7.521 1.00 75.63 ? 54 ILE A CG1 1 ATOM 430 C CG2 . ILE A 1 59 ? 224.979 114.378 8.623 1.00 81.35 ? 54 ILE A CG2 1 ATOM 431 C CD1 . ILE A 1 59 ? 227.919 113.843 8.336 1.00 77.75 ? 54 ILE A CD1 1 ATOM 432 N N . CYS A 1 60 ? 222.897 116.954 7.318 1.00 108.10 ? 55 CYS A N 1 ATOM 433 C CA . CYS A 1 60 ? 221.643 117.510 7.807 1.00 111.17 ? 55 CYS A CA 1 ATOM 434 C C . CYS A 1 60 ? 220.967 116.613 8.839 1.00 105.32 ? 55 CYS A C 1 ATOM 435 O O . CYS A 1 60 ? 220.312 117.105 9.758 1.00 107.38 ? 55 CYS A O 1 ATOM 436 C CB . CYS A 1 60 ? 220.687 117.763 6.640 1.00 106.52 ? 55 CYS A CB 1 ATOM 437 S SG . CYS A 1 60 ? 219.080 116.958 6.822 1.00 135.63 ? 55 CYS A SG 1 ATOM 438 N N . GLY A 1 61 ? 221.120 115.300 8.688 1.00 86.40 ? 56 GLY A N 1 ATOM 439 C CA . GLY A 1 61 ? 220.446 114.370 9.576 1.00 85.02 ? 56 GLY A CA 1 ATOM 440 C C . GLY A 1 61 ? 220.974 112.946 9.610 1.00 81.79 ? 56 GLY A C 1 ATOM 441 O O . GLY A 1 61 ? 222.107 112.678 9.208 1.00 80.67 ? 56 GLY A O 1 ATOM 442 N N . ILE A 1 62 ? 220.138 112.030 10.097 1.00 69.92 ? 57 ILE A N 1 ATOM 443 C CA . ILE A 1 62 ? 220.536 110.641 10.309 1.00 65.84 ? 57 ILE A CA 1 ATOM 444 C C . ILE A 1 62 ? 219.632 109.654 9.571 1.00 65.76 ? 57 ILE A C 1 ATOM 445 O O . ILE A 1 62 ? 218.415 109.829 9.519 1.00 69.87 ? 57 ILE A O 1 ATOM 446 C CB . ILE A 1 62 ? 220.520 110.277 11.816 1.00 60.53 ? 57 ILE A CB 1 ATOM 447 C CG1 . ILE A 1 62 ? 221.363 111.260 12.627 1.00 64.32 ? 57 ILE A CG1 1 ATOM 448 C CG2 . ILE A 1 62 ? 221.012 108.856 12.041 1.00 57.37 ? 57 ILE A CG2 1 ATOM 449 C CD1 . ILE A 1 62 ? 222.854 111.075 12.463 1.00 66.07 ? 57 ILE A CD1 1 ATOM 450 N N . SER A 1 63 ? 220.239 108.626 8.989 1.00 72.94 ? 58 SER A N 1 ATOM 451 C CA . SER A 1 63 ? 219.503 107.448 8.553 1.00 77.00 ? 58 SER A CA 1 ATOM 452 C C . SER A 1 63 ? 219.931 106.285 9.445 1.00 76.69 ? 58 SER A C 1 ATOM 453 O O . SER A 1 63 ? 221.065 105.813 9.361 1.00 72.93 ? 58 SER A O 1 ATOM 454 C CB . SER A 1 63 ? 219.764 107.142 7.077 1.00 65.50 ? 58 SER A CB 1 ATOM 455 O OG . SER A 1 63 ? 218.946 106.076 6.628 1.00 70.66 ? 58 SER A OG 1 ATOM 456 N N . SER A 1 64 ? 219.029 105.840 10.313 1.00 63.91 ? 59 SER A N 1 ATOM 457 C CA . SER A 1 64 ? 219.371 104.853 11.332 1.00 68.10 ? 59 SER A CA 1 ATOM 458 C C . SER A 1 64 ? 219.660 103.474 10.748 1.00 66.15 ? 59 SER A C 1 ATOM 459 O O . SER A 1 64 ? 218.970 103.026 9.833 1.00 71.01 ? 59 SER A O 1 ATOM 460 C CB . SER A 1 64 ? 218.249 104.749 12.365 1.00 64.59 ? 59 SER A CB 1 ATOM 461 O OG . SER A 1 64 ? 218.125 105.949 13.105 1.00 66.20 ? 59 SER A OG 1 ATOM 462 N N . VAL A 1 65 ? 220.680 102.805 11.281 1.00 61.62 ? 60 VAL A N 1 ATOM 463 C CA . VAL A 1 65 ? 220.995 101.445 10.857 1.00 64.86 ? 60 VAL A CA 1 ATOM 464 C C . VAL A 1 65 ? 219.908 100.473 11.283 1.00 64.25 ? 60 VAL A C 1 ATOM 465 O O . VAL A 1 65 ? 219.421 99.690 10.475 1.00 73.53 ? 60 VAL A O 1 ATOM 466 C CB . VAL A 1 65 ? 222.340 100.941 11.424 1.00 58.99 ? 60 VAL A CB 1 ATOM 467 C CG1 . VAL A 1 65 ? 223.389 100.890 10.335 1.00 61.16 ? 60 VAL A CG1 1 ATOM 468 C CG2 . VAL A 1 65 ? 222.798 101.794 12.587 1.00 59.96 ? 60 VAL A CG2 1 ATOM 469 N N . SER A 1 66 ? 219.533 100.527 12.556 1.00 66.99 ? 61 SER A N 1 ATOM 470 C CA . SER A 1 66 ? 218.544 99.604 13.097 1.00 63.38 ? 61 SER A CA 1 ATOM 471 C C . SER A 1 66 ? 217.414 100.344 13.795 1.00 67.50 ? 61 SER A C 1 ATOM 472 O O . SER A 1 66 ? 217.478 101.560 13.977 1.00 65.41 ? 61 SER A O 1 ATOM 473 C CB . SER A 1 66 ? 219.205 98.632 14.074 1.00 68.58 ? 61 SER A CB 1 ATOM 474 O OG . SER A 1 66 ? 219.748 99.327 15.183 1.00 76.32 ? 61 SER A OG 1 ATOM 475 N N . ARG A 1 67 ? 216.382 99.603 14.186 1.00 59.80 ? 62 ARG A N 1 ATOM 476 C CA . ARG A 1 67 ? 215.313 100.164 15.001 1.00 60.06 ? 62 ARG A CA 1 ATOM 477 C C . ARG A 1 67 ? 215.874 100.610 16.344 1.00 60.97 ? 62 ARG A C 1 ATOM 478 O O . ARG A 1 67 ? 215.363 101.543 16.967 1.00 72.65 ? 62 ARG A O 1 ATOM 479 C CB . ARG A 1 67 ? 214.183 99.152 15.210 1.00 60.41 ? 62 ARG A CB 1 ATOM 480 C CG . ARG A 1 67 ? 213.363 98.857 13.967 1.00 61.21 ? 62 ARG A CG 1 ATOM 481 C CD . ARG A 1 67 ? 212.086 98.103 14.302 1.00 55.33 ? 62 ARG A CD 1 ATOM 482 N NE . ARG A 1 67 ? 211.381 97.660 13.101 1.00 66.73 ? 62 ARG A NE 1 ATOM 483 C CZ . ARG A 1 67 ? 210.523 98.407 12.413 1.00 69.43 ? 62 ARG A CZ 1 ATOM 484 N NH1 . ARG A 1 67 ? 210.255 99.647 12.803 1.00 62.18 ? 62 ARG A NH1 1 ATOM 485 N NH2 . ARG A 1 67 ? 209.931 97.915 11.333 1.00 66.66 ? 62 ARG A NH2 1 ATOM 486 N N . MET A 1 68 ? 216.935 99.941 16.782 1.00 64.55 ? 63 MET A N 1 ATOM 487 C CA . MET A 1 68 ? 217.554 100.266 18.057 1.00 66.24 ? 63 MET A CA 1 ATOM 488 C C . MET A 1 68 ? 218.159 101.665 18.054 1.00 68.90 ? 63 MET A C 1 ATOM 489 O O . MET A 1 68 ? 218.005 102.405 19.024 1.00 70.55 ? 63 MET A O 1 ATOM 490 C CB . MET A 1 68 ? 218.626 99.241 18.418 1.00 62.47 ? 63 MET A CB 1 ATOM 491 C CG . MET A 1 68 ? 219.226 99.478 19.792 1.00 70.73 ? 63 MET A CG 1 ATOM 492 S SD . MET A 1 68 ? 220.353 98.179 20.320 1.00 80.60 ? 63 MET A SD 1 ATOM 493 C CE . MET A 1 68 ? 219.657 97.769 21.920 1.00 79.21 ? 63 MET A CE 1 ATOM 494 N N . GLU A 1 69 ? 218.847 102.031 16.974 1.00 69.90 ? 64 GLU A N 1 ATOM 495 C CA . GLU A 1 69 ? 219.435 103.365 16.894 1.00 72.92 ? 64 GLU A CA 1 ATOM 496 C C . GLU A 1 69 ? 218.349 104.436 16.918 1.00 76.16 ? 64 GLU A C 1 ATOM 497 O O . GLU A 1 69 ? 218.474 105.438 17.620 1.00 80.36 ? 64 GLU A O 1 ATOM 498 C CB . GLU A 1 69 ? 220.298 103.536 15.639 1.00 73.39 ? 64 GLU A CB 1 ATOM 499 C CG . GLU A 1 69 ? 220.785 104.976 15.482 1.00 74.09 ? 64 GLU A CG 1 ATOM 500 C CD . GLU A 1 69 ? 221.831 105.171 14.405 1.00 75.33 ? 64 GLU A CD 1 ATOM 501 O OE1 . GLU A 1 69 ? 221.738 104.524 13.347 1.00 76.40 ? 64 GLU A OE1 1 ATOM 502 O OE2 . GLU A 1 69 ? 222.749 105.990 14.617 1.00 75.38 ? 64 GLU A OE2 1 ATOM 503 N N . ASN A 1 70 ? 217.286 104.217 16.150 1.00 65.24 ? 65 ASN A N 1 ATOM 504 C CA . ASN A 1 70 ? 216.165 105.148 16.112 1.00 63.09 ? 65 ASN A CA 1 ATOM 505 C C . ASN A 1 70 ? 215.536 105.329 17.489 1.00 68.89 ? 65 ASN A C 1 ATOM 506 O O . ASN A 1 70 ? 215.282 106.454 17.926 1.00 76.70 ? 65 ASN A O 1 ATOM 507 C CB . ASN A 1 70 ? 215.112 104.669 15.113 1.00 61.78 ? 65 ASN A CB 1 ATOM 508 C CG . ASN A 1 70 ? 213.903 105.580 15.060 1.00 69.97 ? 65 ASN A CG 1 ATOM 509 O OD1 . ASN A 1 70 ? 212.932 105.386 15.791 1.00 71.60 ? 65 ASN A OD1 1 ATOM 510 N ND2 . ASN A 1 70 ? 213.955 106.583 14.191 1.00 72.83 ? 65 ASN A ND2 1 ATOM 511 N N . ILE A 1 71 ? 215.294 104.211 18.168 1.00 63.68 ? 66 ILE A N 1 ATOM 512 C CA . ILE A 1 71 ? 214.733 104.230 19.516 1.00 67.57 ? 66 ILE A CA 1 ATOM 513 C C . ILE A 1 71 ? 215.649 104.988 20.480 1.00 73.67 ? 66 ILE A C 1 ATOM 514 O O . ILE A 1 71 ? 215.187 105.791 21.297 1.00 70.95 ? 66 ILE A O 1 ATOM 515 C CB . ILE A 1 71 ? 214.488 102.793 20.020 1.00 61.22 ? 66 ILE A CB 1 ATOM 516 C CG1 . ILE A 1 71 ? 213.184 102.253 19.426 1.00 77.60 ? 66 ILE A CG1 1 ATOM 517 C CG2 . ILE A 1 71 ? 214.440 102.742 21.535 1.00 63.78 ? 66 ILE A CG2 1 ATOM 518 C CD1 . ILE A 1 71 ? 212.984 100.768 19.618 1.00 82.50 ? 66 ILE A CD1 1 ATOM 519 N N . MET A 1 72 ? 216.949 104.741 20.359 1.00 69.21 ? 67 MET A N 1 ATOM 520 C CA . MET A 1 72 ? 217.958 105.441 21.145 1.00 66.04 ? 67 MET A CA 1 ATOM 521 C C . MET A 1 72 ? 217.873 106.953 20.955 1.00 72.85 ? 67 MET A C 1 ATOM 522 O O . MET A 1 72 ? 217.759 107.710 21.927 1.00 77.24 ? 67 MET A O 1 ATOM 523 C CB . MET A 1 72 ? 219.353 104.946 20.767 1.00 66.10 ? 67 MET A CB 1 ATOM 524 C CG . MET A 1 72 ? 220.479 105.779 21.341 1.00 70.85 ? 67 MET A CG 1 ATOM 525 S SD . MET A 1 72 ? 222.085 105.260 20.718 1.00 86.25 ? 67 MET A SD 1 ATOM 526 C CE . MET A 1 72 ? 221.938 105.712 18.990 1.00 70.75 ? 67 MET A CE 1 ATOM 527 N N . TRP A 1 73 ? 217.937 107.380 19.696 1.00 68.74 ? 68 TRP A N 1 ATOM 528 C CA . TRP A 1 73 ? 217.800 108.788 19.340 1.00 70.67 ? 68 TRP A CA 1 ATOM 529 C C . TRP A 1 73 ? 216.539 109.382 19.947 1.00 72.08 ? 68 TRP A C 1 ATOM 530 O O . TRP A 1 73 ? 216.559 110.488 20.483 1.00 75.14 ? 68 TRP A O 1 ATOM 531 C CB . TRP A 1 73 ? 217.766 108.969 17.821 1.00 70.34 ? 68 TRP A CB 1 ATOM 532 C CG . TRP A 1 73 ? 219.106 108.943 17.157 1.00 67.16 ? 68 TRP A CG 1 ATOM 533 C CD1 . TRP A 1 73 ? 219.620 107.942 16.390 1.00 67.93 ? 68 TRP A CD1 1 ATOM 534 C CD2 . TRP A 1 73 ? 220.099 109.975 17.187 1.00 63.97 ? 68 TRP A CD2 1 ATOM 535 N NE1 . TRP A 1 73 ? 220.875 108.280 15.944 1.00 66.21 ? 68 TRP A NE1 1 ATOM 536 C CE2 . TRP A 1 73 ? 221.192 109.525 16.420 1.00 65.21 ? 68 TRP A CE2 1 ATOM 537 C CE3 . TRP A 1 73 ? 220.172 111.234 17.791 1.00 59.93 ? 68 TRP A CE3 1 ATOM 538 C CZ2 . TRP A 1 73 ? 222.342 110.288 16.241 1.00 69.73 ? 68 TRP A CZ2 1 ATOM 539 C CZ3 . TRP A 1 73 ? 221.314 111.989 17.611 1.00 63.58 ? 68 TRP A CZ3 1 ATOM 540 C CH2 . TRP A 1 73 ? 222.384 111.515 16.843 1.00 73.10 ? 68 TRP A CH2 1 ATOM 541 N N . ARG A 1 74 ? 215.443 108.634 19.860 1.00 79.76 ? 69 ARG A N 1 ATOM 542 C CA . ARG A 1 74 ? 214.167 109.086 20.398 1.00 86.42 ? 69 ARG A CA 1 ATOM 543 C C . ARG A 1 74 ? 214.242 109.282 21.911 1.00 86.99 ? 69 ARG A C 1 ATOM 544 O O . ARG A 1 74 ? 213.680 110.235 22.451 1.00 92.45 ? 69 ARG A O 1 ATOM 545 C CB . ARG A 1 74 ? 213.054 108.095 20.041 1.00 80.76 ? 69 ARG A CB 1 ATOM 546 C CG . ARG A 1 74 ? 211.728 108.373 20.733 1.00 86.53 ? 69 ARG A CG 1 ATOM 547 C CD . ARG A 1 74 ? 210.561 107.679 20.042 1.00 103.55 ? 69 ARG A CD 1 ATOM 548 N NE . ARG A 1 74 ? 210.111 108.407 18.857 1.00 114.76 ? 69 ARG A NE 1 ATOM 549 C CZ . ARG A 1 74 ? 210.108 107.909 17.624 1.00 104.14 ? 69 ARG A CZ 1 ATOM 550 N NH1 . ARG A 1 74 ? 210.527 106.670 17.404 1.00 89.80 ? 69 ARG A NH1 1 ATOM 551 N NH2 . ARG A 1 74 ? 209.680 108.651 16.611 1.00 92.13 ? 69 ARG A NH2 1 ATOM 552 N N . SER A 1 75 ? 214.953 108.388 22.590 1.00 73.84 ? 70 SER A N 1 ATOM 553 C CA . SER A 1 75 ? 215.061 108.449 24.043 1.00 72.37 ? 70 SER A CA 1 ATOM 554 C C . SER A 1 75 ? 216.125 109.442 24.506 1.00 74.53 ? 70 SER A C 1 ATOM 555 O O . SER A 1 75 ? 216.259 109.703 25.700 1.00 83.14 ? 70 SER A O 1 ATOM 556 C CB . SER A 1 75 ? 215.365 107.061 24.609 1.00 72.02 ? 70 SER A CB 1 ATOM 557 O OG . SER A 1 75 ? 216.545 106.529 24.035 1.00 79.82 ? 70 SER A OG 1 ATOM 558 N N . VAL A 1 76 ? 216.877 109.992 23.558 1.00 79.59 ? 71 VAL A N 1 ATOM 559 C CA . VAL A 1 76 ? 217.947 110.942 23.867 1.00 80.50 ? 71 VAL A CA 1 ATOM 560 C C . VAL A 1 76 ? 217.529 112.381 23.519 1.00 85.89 ? 71 VAL A C 1 ATOM 561 O O . VAL A 1 76 ? 218.026 113.360 24.102 1.00 89.76 ? 71 VAL A O 1 ATOM 562 C CB . VAL A 1 76 ? 219.245 110.541 23.116 1.00 81.52 ? 71 VAL A CB 1 ATOM 563 C CG1 . VAL A 1 76 ? 220.216 111.700 22.993 1.00 83.80 ? 71 VAL A CG1 1 ATOM 564 C CG2 . VAL A 1 76 ? 219.907 109.356 23.805 1.00 73.91 ? 71 VAL A CG2 1 ATOM 565 N N . GLU A 1 77 ? 216.580 112.475 22.590 1.00 83.32 ? 72 GLU A N 1 ATOM 566 C CA . GLU A 1 77 ? 216.074 113.728 22.023 1.00 83.21 ? 72 GLU A CA 1 ATOM 567 C C . GLU A 1 77 ? 216.029 114.924 22.974 1.00 92.09 ? 72 GLU A C 1 ATOM 568 O O . GLU A 1 77 ? 216.670 115.946 22.725 1.00 92.14 ? 72 GLU A O 1 ATOM 569 C CB . GLU A 1 77 ? 214.668 113.491 21.468 1.00 93.74 ? 72 GLU A CB 1 ATOM 570 C CG . GLU A 1 77 ? 214.467 113.959 20.041 1.00 94.81 ? 72 GLU A CG 1 ATOM 571 C CD . GLU A 1 77 ? 213.046 113.740 19.560 1.00 95.11 ? 72 GLU A CD 1 ATOM 572 O OE1 . GLU A 1 77 ? 212.662 114.352 18.541 1.00 103.59 ? 72 GLU A OE1 1 ATOM 573 O OE2 . GLU A 1 77 ? 212.314 112.957 20.202 1.00 91.64 ? 72 GLU A OE2 1 ATOM 574 N N . GLY A 1 78 ? 215.267 114.789 24.056 1.00 78.96 ? 73 GLY A N 1 ATOM 575 C CA . GLY A 1 78 ? 215.065 115.874 24.999 1.00 76.20 ? 73 GLY A CA 1 ATOM 576 C C . GLY A 1 78 ? 216.350 116.438 25.569 1.00 82.54 ? 73 GLY A C 1 ATOM 577 O O . GLY A 1 78 ? 216.611 117.640 25.468 1.00 89.64 ? 73 GLY A O 1 ATOM 578 N N . GLU A 1 79 ? 217.158 115.568 26.165 1.00 81.48 ? 74 GLU A N 1 ATOM 579 C CA . GLU A 1 79 ? 218.422 115.983 26.763 1.00 83.66 ? 74 GLU A CA 1 ATOM 580 C C . GLU A 1 79 ? 219.370 116.558 25.720 1.00 85.64 ? 74 GLU A C 1 ATOM 581 O O . GLU A 1 79 ? 220.078 117.535 25.987 1.00 92.82 ? 74 GLU A O 1 ATOM 582 C CB . GLU A 1 79 ? 219.085 114.809 27.482 1.00 77.03 ? 74 GLU A CB 1 ATOM 583 C CG . GLU A 1 79 ? 218.341 114.358 28.721 1.00 88.51 ? 74 GLU A CG 1 ATOM 584 C CD . GLU A 1 79 ? 218.912 113.087 29.310 1.00 92.86 ? 74 GLU A CD 1 ATOM 585 O OE1 . GLU A 1 79 ? 218.288 112.021 29.124 1.00 94.40 ? 74 GLU A OE1 1 ATOM 586 O OE2 . GLU A 1 79 ? 219.979 113.155 29.957 1.00 86.50 ? 74 GLU A OE2 1 ATOM 587 N N . LEU A 1 80 ? 219.380 115.957 24.533 1.00 85.31 ? 75 LEU A N 1 ATOM 588 C CA . LEU A 1 80 ? 220.250 116.440 23.465 1.00 83.60 ? 75 LEU A CA 1 ATOM 589 C C . LEU A 1 80 ? 219.893 117.872 23.065 1.00 91.07 ? 75 LEU A C 1 ATOM 590 O O . LEU A 1 80 ? 220.762 118.747 23.006 1.00 91.49 ? 75 LEU A O 1 ATOM 591 C CB . LEU A 1 80 ? 220.174 115.518 22.249 1.00 83.47 ? 75 LEU A CB 1 ATOM 592 C CG . LEU A 1 80 ? 221.519 114.982 21.756 1.00 81.27 ? 75 LEU A CG 1 ATOM 593 C CD1 . LEU A 1 80 ? 221.340 114.152 20.496 1.00 78.80 ? 75 LEU A CD1 1 ATOM 594 C CD2 . LEU A 1 80 ? 222.503 116.117 21.518 1.00 83.89 ? 75 LEU A CD2 1 ATOM 595 N N . ASN A 1 81 ? 218.611 118.107 22.801 1.00 87.39 ? 76 ASN A N 1 ATOM 596 C CA . ASN A 1 81 ? 218.142 119.437 22.433 1.00 82.06 ? 76 ASN A CA 1 ATOM 597 C C . ASN A 1 81 ? 218.362 120.450 23.549 1.00 89.78 ? 76 ASN A C 1 ATOM 598 O O . ASN A 1 81 ? 218.705 121.603 23.288 1.00 98.83 ? 76 ASN A O 1 ATOM 599 C CB . ASN A 1 81 ? 216.662 119.396 22.051 1.00 88.07 ? 76 ASN A CB 1 ATOM 600 C CG . ASN A 1 81 ? 216.423 118.713 20.719 1.00 85.53 ? 76 ASN A CG 1 ATOM 601 O OD1 . ASN A 1 81 ? 217.280 118.738 19.835 1.00 82.74 ? 76 ASN A OD1 1 ATOM 602 N ND2 . ASN A 1 81 ? 215.254 118.101 20.567 1.00 78.98 ? 76 ASN A ND2 1 ATOM 603 N N . ALA A 1 82 ? 218.167 120.013 24.790 1.00 74.90 ? 77 ALA A N 1 ATOM 604 C CA . ALA A 1 82 ? 218.386 120.875 25.948 1.00 71.36 ? 77 ALA A CA 1 ATOM 605 C C . ALA A 1 82 ? 219.841 121.327 26.026 1.00 79.87 ? 77 ALA A C 1 ATOM 606 O O . ALA A 1 82 ? 220.130 122.509 26.235 1.00 89.86 ? 77 ALA A O 1 ATOM 607 C CB . ALA A 1 82 ? 217.986 120.159 27.226 1.00 62.43 ? 77 ALA A CB 1 ATOM 608 N N . ILE A 1 83 ? 220.756 120.380 25.848 1.00 81.36 ? 78 ILE A N 1 ATOM 609 C CA . ILE A 1 83 ? 222.183 120.677 25.889 1.00 84.23 ? 78 ILE A CA 1 ATOM 610 C C . ILE A 1 83 ? 222.603 121.575 24.727 1.00 91.59 ? 78 ILE A C 1 ATOM 611 O O . ILE A 1 83 ? 223.400 122.498 24.906 1.00 98.23 ? 78 ILE A O 1 ATOM 612 C CB . ILE A 1 83 ? 223.009 119.382 25.884 1.00 76.47 ? 78 ILE A CB 1 ATOM 613 C CG1 . ILE A 1 83 ? 222.906 118.715 27.253 1.00 81.15 ? 78 ILE A CG1 1 ATOM 614 C CG2 . ILE A 1 83 ? 224.466 119.661 25.543 1.00 76.31 ? 78 ILE A CG2 1 ATOM 615 C CD1 . ILE A 1 83 ? 223.445 117.325 27.292 1.00 76.25 ? 78 ILE A CD1 1 ATOM 616 N N . LEU A 1 84 ? 222.059 121.311 23.542 1.00 89.82 ? 79 LEU A N 1 ATOM 617 C CA . LEU A 1 84 ? 222.288 122.179 22.389 1.00 87.31 ? 79 LEU A CA 1 ATOM 618 C C . LEU A 1 84 ? 221.828 123.604 22.681 1.00 95.98 ? 79 LEU A C 1 ATOM 619 O O . LEU A 1 84 ? 222.481 124.574 22.291 1.00 97.17 ? 79 LEU A O 1 ATOM 620 C CB . LEU A 1 84 ? 221.565 121.638 21.155 1.00 84.37 ? 79 LEU A CB 1 ATOM 621 C CG . LEU A 1 84 ? 222.393 120.873 20.121 1.00 75.56 ? 79 LEU A CG 1 ATOM 622 C CD1 . LEU A 1 84 ? 223.767 120.513 20.662 1.00 78.22 ? 79 LEU A CD1 1 ATOM 623 C CD2 . LEU A 1 84 ? 221.646 119.627 19.678 1.00 72.34 ? 79 LEU A CD2 1 ATOM 624 N N . GLU A 1 85 ? 220.699 123.716 23.372 1.00 103.08 ? 80 GLU A N 1 ATOM 625 C CA . GLU A 1 85 ? 220.160 125.008 23.776 1.00 105.81 ? 80 GLU A CA 1 ATOM 626 C C . GLU A 1 85 ? 221.099 125.721 24.744 1.00 115.99 ? 80 GLU A C 1 ATOM 627 O O . GLU A 1 85 ? 221.357 126.917 24.598 1.00 122.26 ? 80 GLU A O 1 ATOM 628 C CB . GLU A 1 85 ? 218.781 124.832 24.414 1.00 109.24 ? 80 GLU A CB 1 ATOM 629 C CG . GLU A 1 85 ? 218.147 126.122 24.906 1.00 111.36 ? 80 GLU A CG 1 ATOM 630 C CD . GLU A 1 85 ? 216.895 125.877 25.729 1.00 124.84 ? 80 GLU A CD 1 ATOM 631 O OE1 . GLU A 1 85 ? 216.991 125.193 26.771 1.00 124.50 ? 80 GLU A OE1 1 ATOM 632 O OE2 . GLU A 1 85 ? 215.815 126.363 25.331 1.00 121.71 ? 80 GLU A OE2 1 ATOM 633 N N . GLU A 1 86 ? 221.606 124.982 25.728 1.00 114.34 ? 81 GLU A N 1 ATOM 634 C CA . GLU A 1 86 ? 222.492 125.551 26.742 1.00 115.05 ? 81 GLU A CA 1 ATOM 635 C C . GLU A 1 86 ? 223.712 126.245 26.149 1.00 115.62 ? 81 GLU A C 1 ATOM 636 O O . GLU A 1 86 ? 224.124 127.304 26.618 1.00 125.20 ? 81 GLU A O 1 ATOM 637 C CB . GLU A 1 86 ? 222.961 124.465 27.714 1.00 111.51 ? 81 GLU A CB 1 ATOM 638 C CG . GLU A 1 86 ? 221.911 123.983 28.686 1.00 106.01 ? 81 GLU A CG 1 ATOM 639 C CD . GLU A 1 86 ? 222.506 123.130 29.784 1.00 106.05 ? 81 GLU A CD 1 ATOM 640 O OE1 . GLU A 1 86 ? 223.751 123.080 29.888 1.00 94.57 ? 81 GLU A OE1 1 ATOM 641 O OE2 . GLU A 1 86 ? 221.730 122.511 30.540 1.00 109.33 ? 81 GLU A OE2 1 ATOM 642 N N . ASN A 1 87 ? 224.286 125.646 25.114 1.00 119.33 ? 82 ASN A N 1 ATOM 643 C CA . ASN A 1 87 ? 225.548 126.136 24.583 1.00 126.82 ? 82 ASN A CA 1 ATOM 644 C C . ASN A 1 87 ? 225.387 126.970 23.316 1.00 131.35 ? 82 ASN A C 1 ATOM 645 O O . ASN A 1 87 ? 226.260 126.970 22.448 1.00 130.85 ? 82 ASN A O 1 ATOM 646 C CB . ASN A 1 87 ? 226.492 124.961 24.326 1.00 120.44 ? 82 ASN A CB 1 ATOM 647 C CG . ASN A 1 87 ? 226.583 124.020 25.513 1.00 123.50 ? 82 ASN A CG 1 ATOM 648 O OD1 . ASN A 1 87 ? 225.586 123.736 26.175 1.00 124.82 ? 82 ASN A OD1 1 ATOM 649 N ND2 . ASN A 1 87 ? 227.785 123.537 25.792 1.00 123.71 ? 82 ASN A ND2 1 ATOM 650 N N . GLY A 1 88 ? 224.265 127.678 23.230 1.00 107.38 ? 83 GLY A N 1 ATOM 651 C CA . GLY A 1 88 ? 224.015 128.617 22.154 1.00 107.63 ? 83 GLY A CA 1 ATOM 652 C C . GLY A 1 88 ? 224.067 128.010 20.767 1.00 108.17 ? 83 GLY A C 1 ATOM 653 O O . GLY A 1 88 ? 224.801 128.483 19.899 1.00 112.56 ? 83 GLY A O 1 ATOM 654 N N . VAL A 1 89 ? 223.296 126.948 20.557 1.00 104.25 ? 84 VAL A N 1 ATOM 655 C CA . VAL A 1 89 ? 223.208 126.324 19.241 1.00 105.99 ? 84 VAL A CA 1 ATOM 656 C C . VAL A 1 89 ? 221.755 126.173 18.807 1.00 98.68 ? 84 VAL A C 1 ATOM 657 O O . VAL A 1 89 ? 221.065 125.245 19.232 1.00 85.50 ? 84 VAL A O 1 ATOM 658 C CB . VAL A 1 89 ? 223.883 124.939 19.213 1.00 94.51 ? 84 VAL A CB 1 ATOM 659 C CG1 . VAL A 1 89 ? 223.846 124.365 17.803 1.00 87.60 ? 84 VAL A CG1 1 ATOM 660 C CG2 . VAL A 1 89 ? 225.314 125.029 19.713 1.00 95.96 ? 84 VAL A CG2 1 ATOM 661 N N . GLN A 1 90 ? 221.290 127.093 17.966 1.00 139.96 ? 85 GLN A N 1 ATOM 662 C CA . GLN A 1 90 ? 219.940 127.006 17.424 1.00 140.52 ? 85 GLN A CA 1 ATOM 663 C C . GLN A 1 90 ? 219.818 125.775 16.535 1.00 129.25 ? 85 GLN A C 1 ATOM 664 O O . GLN A 1 90 ? 219.989 125.849 15.318 1.00 131.94 ? 85 GLN A O 1 ATOM 665 C CB . GLN A 1 90 ? 219.576 128.272 16.644 1.00 142.57 ? 85 GLN A CB 1 ATOM 666 C CG . GLN A 1 90 ? 219.192 129.455 17.522 1.00 145.09 ? 85 GLN A CG 1 ATOM 667 C CD . GLN A 1 90 ? 218.521 130.570 16.741 1.00 161.40 ? 85 GLN A CD 1 ATOM 668 O OE1 . GLN A 1 90 ? 218.223 130.421 15.555 1.00 160.67 ? 85 GLN A OE1 1 ATOM 669 N NE2 . GLN A 1 90 ? 218.279 131.695 17.404 1.00 160.31 ? 85 GLN A NE2 1 ATOM 670 N N . LEU A 1 91 ? 219.527 124.641 17.162 1.00 100.64 ? 86 LEU A N 1 ATOM 671 C CA . LEU A 1 91 ? 219.417 123.374 16.455 1.00 92.52 ? 86 LEU A CA 1 ATOM 672 C C . LEU A 1 91 ? 218.576 122.389 17.257 1.00 83.36 ? 86 LEU A C 1 ATOM 673 O O . LEU A 1 91 ? 218.833 122.156 18.439 1.00 80.79 ? 86 LEU A O 1 ATOM 674 C CB . LEU A 1 91 ? 220.806 122.794 16.178 1.00 81.95 ? 86 LEU A CB 1 ATOM 675 C CG . LEU A 1 91 ? 220.868 121.461 15.432 1.00 79.20 ? 86 LEU A CG 1 ATOM 676 C CD1 . LEU A 1 91 ? 219.998 121.503 14.188 1.00 87.43 ? 86 LEU A CD1 1 ATOM 677 C CD2 . LEU A 1 91 ? 222.305 121.127 15.067 1.00 80.76 ? 86 LEU A CD2 1 ATOM 678 N N . THR A 1 92 ? 217.568 121.818 16.608 1.00 79.43 ? 87 THR A N 1 ATOM 679 C CA . THR A 1 92 ? 216.665 120.884 17.265 1.00 78.35 ? 87 THR A CA 1 ATOM 680 C C . THR A 1 92 ? 216.676 119.526 16.577 1.00 76.76 ? 87 THR A C 1 ATOM 681 O O . THR A 1 92 ? 216.424 119.430 15.378 1.00 80.30 ? 87 THR A O 1 ATOM 682 C CB . THR A 1 92 ? 215.224 121.423 17.290 1.00 75.75 ? 87 THR A CB 1 ATOM 683 O OG1 . THR A 1 92 ? 215.192 122.673 17.990 1.00 86.02 ? 87 THR A OG1 1 ATOM 684 C CG2 . THR A 1 92 ? 214.296 120.435 17.979 1.00 73.27 ? 87 THR A CG2 1 ATOM 685 N N . VAL A 1 93 ? 216.969 118.478 17.342 1.00 87.18 ? 88 VAL A N 1 ATOM 686 C CA . VAL A 1 93 ? 216.945 117.118 16.816 1.00 83.33 ? 88 VAL A CA 1 ATOM 687 C C . VAL A 1 93 ? 215.519 116.577 16.788 1.00 82.01 ? 88 VAL A C 1 ATOM 688 O O . VAL A 1 93 ? 214.854 116.496 17.822 1.00 81.84 ? 88 VAL A O 1 ATOM 689 C CB . VAL A 1 93 ? 217.830 116.168 17.645 1.00 72.43 ? 88 VAL A CB 1 ATOM 690 C CG1 . VAL A 1 93 ? 217.681 114.739 17.150 1.00 69.76 ? 88 VAL A CG1 1 ATOM 691 C CG2 . VAL A 1 93 ? 219.284 116.610 17.587 1.00 74.88 ? 88 VAL A CG2 1 ATOM 692 N N . VAL A 1 94 ? 215.052 116.212 15.598 1.00 91.00 ? 89 VAL A N 1 ATOM 693 C CA . VAL A 1 94 ? 213.701 115.690 15.432 1.00 90.99 ? 89 VAL A CA 1 ATOM 694 C C . VAL A 1 94 ? 213.732 114.225 15.021 1.00 88.69 ? 89 VAL A C 1 ATOM 695 O O . VAL A 1 94 ? 214.262 113.883 13.967 1.00 93.23 ? 89 VAL A O 1 ATOM 696 C CB . VAL A 1 94 ? 212.911 116.487 14.381 1.00 86.41 ? 89 VAL A CB 1 ATOM 697 C CG1 . VAL A 1 94 ? 211.447 116.072 14.397 1.00 80.59 ? 89 VAL A CG1 1 ATOM 698 C CG2 . VAL A 1 94 ? 213.052 117.979 14.630 1.00 88.22 ? 89 VAL A CG2 1 ATOM 699 N N . VAL A 1 95 ? 213.159 113.362 15.852 1.00 80.58 ? 90 VAL A N 1 ATOM 700 C CA . VAL A 1 95 ? 213.168 111.929 15.585 1.00 82.24 ? 90 VAL A CA 1 ATOM 701 C C . VAL A 1 95 ? 211.818 111.448 15.062 1.00 79.18 ? 90 VAL A C 1 ATOM 702 O O . VAL A 1 95 ? 210.799 111.567 15.741 1.00 81.70 ? 90 VAL A O 1 ATOM 703 C CB . VAL A 1 95 ? 213.544 111.128 16.848 1.00 83.17 ? 90 VAL A CB 1 ATOM 704 C CG1 . VAL A 1 95 ? 213.371 109.638 16.607 1.00 77.46 ? 90 VAL A CG1 1 ATOM 705 C CG2 . VAL A 1 95 ? 214.973 111.444 17.269 1.00 83.24 ? 90 VAL A CG2 1 ATOM 706 N N . GLY A 1 96 ? 211.819 110.905 13.849 1.00 62.77 ? 91 GLY A N 1 ATOM 707 C CA . GLY A 1 96 ? 210.605 110.401 13.236 1.00 62.38 ? 91 GLY A CA 1 ATOM 708 C C . GLY A 1 96 ? 210.562 108.885 13.172 1.00 64.10 ? 91 GLY A C 1 ATOM 709 O O . GLY A 1 96 ? 211.458 108.208 13.678 1.00 62.51 ? 91 GLY A O 1 ATOM 710 N N . SER A 1 97 ? 209.517 108.354 12.544 1.00 67.84 ? 92 SER A N 1 ATOM 711 C CA . SER A 1 97 ? 209.322 106.911 12.452 1.00 65.00 ? 92 SER A CA 1 ATOM 712 C C . SER A 1 97 ? 210.398 106.227 11.617 1.00 65.18 ? 92 SER A C 1 ATOM 713 O O . SER A 1 97 ? 211.033 106.847 10.766 1.00 60.80 ? 92 SER A O 1 ATOM 714 C CB . SER A 1 97 ? 207.946 106.595 11.864 1.00 67.79 ? 92 SER A CB 1 ATOM 715 O OG . SER A 1 97 ? 206.912 107.013 12.734 1.00 79.63 ? 92 SER A OG 1 ATOM 716 N N . VAL A 1 98 ? 210.595 104.939 11.870 1.00 75.61 ? 93 VAL A N 1 ATOM 717 C CA . VAL A 1 98 ? 211.513 104.141 11.075 1.00 72.85 ? 93 VAL A CA 1 ATOM 718 C C . VAL A 1 98 ? 210.913 103.867 9.703 1.00 74.13 ? 93 VAL A C 1 ATOM 719 O O . VAL A 1 98 ? 209.766 103.438 9.593 1.00 82.95 ? 93 VAL A O 1 ATOM 720 C CB . VAL A 1 98 ? 211.843 102.807 11.761 1.00 70.61 ? 93 VAL A CB 1 ATOM 721 C CG1 . VAL A 1 98 ? 212.783 101.988 10.895 1.00 67.90 ? 93 VAL A CG1 1 ATOM 722 C CG2 . VAL A 1 98 ? 212.448 103.054 13.133 1.00 73.52 ? 93 VAL A CG2 1 ATOM 723 N N . LYS A 1 99 ? 211.689 104.123 8.658 1.00 69.78 ? 94 LYS A N 1 ATOM 724 C CA . LYS A 1 99 ? 211.244 103.840 7.303 1.00 70.32 ? 94 LYS A CA 1 ATOM 725 C C . LYS A 1 99 ? 212.038 102.680 6.717 1.00 68.10 ? 94 LYS A C 1 ATOM 726 O O . LYS A 1 99 ? 213.266 102.647 6.806 1.00 67.73 ? 94 LYS A O 1 ATOM 727 C CB . LYS A 1 99 ? 211.375 105.084 6.424 1.00 70.63 ? 94 LYS A CB 1 ATOM 728 C CG . LYS A 1 99 ? 210.455 106.223 6.839 1.00 76.05 ? 94 LYS A CG 1 ATOM 729 C CD . LYS A 1 99 ? 209.000 105.883 6.550 1.00 79.51 ? 94 LYS A CD 1 ATOM 730 C CE . LYS A 1 99 ? 208.054 106.948 7.083 1.00 75.11 ? 94 LYS A CE 1 ATOM 731 N NZ . LYS A 1 99 ? 207.454 106.552 8.388 1.00 88.86 ? 94 LYS A NZ 1 ATOM 732 N N . ASN A 1 100 ? 211.327 101.724 6.130 1.00 61.56 ? 95 ASN A N 1 ATOM 733 C CA . ASN A 1 100 ? 211.962 100.557 5.536 1.00 59.43 ? 95 ASN A CA 1 ATOM 734 C C . ASN A 1 100 ? 211.991 100.639 4.014 1.00 63.94 ? 95 ASN A C 1 ATOM 735 O O . ASN A 1 100 ? 211.013 101.054 3.394 1.00 69.61 ? 95 ASN A O 1 ATOM 736 C CB . ASN A 1 100 ? 211.250 99.280 5.982 1.00 65.02 ? 95 ASN A CB 1 ATOM 737 C CG . ASN A 1 100 ? 211.341 99.058 7.479 1.00 67.03 ? 95 ASN A CG 1 ATOM 738 O OD1 . ASN A 1 100 ? 212.340 98.544 7.981 1.00 65.09 ? 95 ASN A OD1 1 ATOM 739 N ND2 . ASN A 1 100 ? 210.296 99.445 8.199 1.00 70.53 ? 95 ASN A ND2 1 ATOM 740 N N . PRO A 1 101 ? 213.123 100.250 3.404 1.00 76.45 ? 96 PRO A N 1 ATOM 741 C CA . PRO A 1 101 ? 214.347 99.784 4.067 1.00 71.93 ? 96 PRO A CA 1 ATOM 742 C C . PRO A 1 101 ? 215.108 100.916 4.742 1.00 67.27 ? 96 PRO A C 1 ATOM 743 O O . PRO A 1 101 ? 214.990 102.068 4.322 1.00 64.96 ? 96 PRO A O 1 ATOM 744 C CB . PRO A 1 101 ? 215.178 99.200 2.914 1.00 64.28 ? 96 PRO A CB 1 ATOM 745 C CG . PRO A 1 101 ? 214.228 99.055 1.769 1.00 59.32 ? 96 PRO A CG 1 ATOM 746 C CD . PRO A 1 101 ? 213.226 100.142 1.942 1.00 70.77 ? 96 PRO A CD 1 ATOM 747 N N . MET A 1 102 ? 215.864 100.594 5.784 1.00 59.59 ? 97 MET A N 1 ATOM 748 C CA . MET A 1 102 ? 216.704 101.589 6.430 1.00 63.72 ? 97 MET A CA 1 ATOM 749 C C . MET A 1 102 ? 217.897 101.871 5.532 1.00 66.99 ? 97 MET A C 1 ATOM 750 O O . MET A 1 102 ? 218.902 101.158 5.567 1.00 58.42 ? 97 MET A O 1 ATOM 751 C CB . MET A 1 102 ? 217.151 101.113 7.806 1.00 59.21 ? 97 MET A CB 1 ATOM 752 C CG . MET A 1 102 ? 216.024 100.525 8.626 1.00 62.90 ? 97 MET A CG 1 ATOM 753 S SD . MET A 1 102 ? 216.284 100.739 10.391 1.00 67.17 ? 97 MET A SD 1 ATOM 754 C CE . MET A 1 102 ? 215.251 99.430 11.016 1.00 63.29 ? 97 MET A CE 1 ATOM 755 N N . TRP A 1 103 ? 217.770 102.914 4.721 1.00 62.28 ? 98 TRP A N 1 ATOM 756 C CA . TRP A 1 103 ? 218.739 103.191 3.671 1.00 61.41 ? 98 TRP A CA 1 ATOM 757 C C . TRP A 1 103 ? 220.114 103.561 4.204 1.00 61.90 ? 98 TRP A C 1 ATOM 758 O O . TRP A 1 103 ? 220.252 104.174 5.261 1.00 60.49 ? 98 TRP A O 1 ATOM 759 C CB . TRP A 1 103 ? 218.224 104.305 2.763 1.00 62.15 ? 98 TRP A CB 1 ATOM 760 C CG . TRP A 1 103 ? 217.011 103.916 1.994 1.00 66.09 ? 98 TRP A CG 1 ATOM 761 C CD1 . TRP A 1 103 ? 215.765 104.460 2.096 1.00 66.87 ? 98 TRP A CD1 1 ATOM 762 C CD2 . TRP A 1 103 ? 216.919 102.881 1.010 1.00 63.89 ? 98 TRP A CD2 1 ATOM 763 N NE1 . TRP A 1 103 ? 214.904 103.833 1.230 1.00 64.75 ? 98 TRP A NE1 1 ATOM 764 C CE2 . TRP A 1 103 ? 215.589 102.860 0.551 1.00 62.43 ? 98 TRP A CE2 1 ATOM 765 C CE3 . TRP A 1 103 ? 217.834 101.973 0.468 1.00 59.97 ? 98 TRP A CE3 1 ATOM 766 C CZ2 . TRP A 1 103 ? 215.152 101.969 -0.423 1.00 62.36 ? 98 TRP A CZ2 1 ATOM 767 C CZ3 . TRP A 1 103 ? 217.398 101.089 -0.500 1.00 59.70 ? 98 TRP A CZ3 1 ATOM 768 C CH2 . TRP A 1 103 ? 216.069 101.092 -0.934 1.00 62.48 ? 98 TRP A CH2 1 ATOM 769 N N . ARG A 1 104 ? 221.130 103.173 3.445 1.00 69.40 ? 99 ARG A N 1 ATOM 770 C CA . ARG A 1 104 ? 222.512 103.451 3.788 1.00 61.29 ? 99 ARG A CA 1 ATOM 771 C C . ARG A 1 104 ? 222.886 104.884 3.431 1.00 69.89 ? 99 ARG A C 1 ATOM 772 O O . ARG A 1 104 ? 222.832 105.278 2.266 1.00 78.03 ? 99 ARG A O 1 ATOM 773 C CB . ARG A 1 104 ? 223.433 102.465 3.070 1.00 67.86 ? 99 ARG A CB 1 ATOM 774 C CG . ARG A 1 104 ? 224.912 102.685 3.310 1.00 73.84 ? 99 ARG A CG 1 ATOM 775 C CD . ARG A 1 104 ? 225.731 101.728 2.464 1.00 72.74 ? 99 ARG A CD 1 ATOM 776 N NE . ARG A 1 104 ? 225.331 100.340 2.673 1.00 57.37 ? 99 ARG A NE 1 ATOM 777 C CZ . ARG A 1 104 ? 225.772 99.319 1.945 1.00 73.86 ? 99 ARG A CZ 1 ATOM 778 N NH1 . ARG A 1 104 ? 226.624 99.531 0.952 1.00 80.94 ? 99 ARG A NH1 1 ATOM 779 N NH2 . ARG A 1 104 ? 225.359 98.085 2.206 1.00 67.78 ? 99 ARG A NH2 1 ATOM 780 N N . GLY A 1 105 ? 223.251 105.664 4.442 1.00 69.02 ? 100 GLY A N 1 ATOM 781 C CA . GLY A 1 105 ? 223.766 107.003 4.225 1.00 68.08 ? 100 GLY A CA 1 ATOM 782 C C . GLY A 1 105 ? 225.262 106.936 3.997 1.00 74.06 ? 100 GLY A C 1 ATOM 783 O O . GLY A 1 105 ? 225.955 106.157 4.649 1.00 80.15 ? 100 GLY A O 1 ATOM 784 N N . PRO A 1 106 ? 225.772 107.751 3.065 1.00 73.48 ? 101 PRO A N 1 ATOM 785 C CA . PRO A 1 106 ? 227.185 107.690 2.675 1.00 75.77 ? 101 PRO A CA 1 ATOM 786 C C . PRO A 1 106 ? 228.138 108.313 3.695 1.00 77.37 ? 101 PRO A C 1 ATOM 787 O O . PRO A 1 106 ? 229.353 108.213 3.528 1.00 82.06 ? 101 PRO A O 1 ATOM 788 C CB . PRO A 1 106 ? 227.212 108.477 1.364 1.00 63.83 ? 101 PRO A CB 1 ATOM 789 C CG . PRO A 1 106 ? 226.110 109.462 1.514 1.00 78.45 ? 101 PRO A CG 1 ATOM 790 C CD . PRO A 1 106 ? 225.027 108.753 2.282 1.00 75.16 ? 101 PRO A CD 1 ATOM 791 N N . GLN A 1 107 ? 227.600 108.945 4.732 1.00 88.57 ? 102 GLN A N 1 ATOM 792 C CA . GLN A 1 107 ? 228.436 109.631 5.712 1.00 84.95 ? 102 GLN A CA 1 ATOM 793 C C . GLN A 1 107 ? 228.183 109.138 7.133 1.00 88.47 ? 102 GLN A C 1 ATOM 794 O O . GLN A 1 107 ? 227.392 108.221 7.352 1.00 91.14 ? 102 GLN A O 1 ATOM 795 C CB . GLN A 1 107 ? 228.206 111.139 5.637 1.00 89.69 ? 102 GLN A CB 1 ATOM 796 C CG . GLN A 1 107 ? 228.267 111.696 4.226 1.00 94.07 ? 102 GLN A CG 1 ATOM 797 C CD . GLN A 1 107 ? 228.257 113.206 4.198 1.00 91.48 ? 102 GLN A CD 1 ATOM 798 O OE1 . GLN A 1 107 ? 227.324 113.824 3.685 1.00 101.06 ? 102 GLN A OE1 1 ATOM 799 N NE2 . GLN A 1 107 ? 229.302 113.813 4.749 1.00 92.04 ? 102 GLN A NE2 1 ATOM 800 N N . ARG A 1 108 ? 228.865 109.752 8.094 1.00 84.84 ? 103 ARG A N 1 ATOM 801 C CA . ARG A 1 108 ? 228.694 109.400 9.499 1.00 86.89 ? 103 ARG A CA 1 ATOM 802 C C . ARG A 1 108 ? 229.057 110.564 10.409 1.00 81.54 ? 103 ARG A C 1 ATOM 803 O O . ARG A 1 108 ? 229.765 111.483 10.002 1.00 87.95 ? 103 ARG A O 1 ATOM 804 C CB . ARG A 1 108 ? 229.533 108.172 9.852 1.00 88.98 ? 103 ARG A CB 1 ATOM 805 C CG . ARG A 1 108 ? 230.929 108.179 9.261 1.00 89.22 ? 103 ARG A CG 1 ATOM 806 C CD . ARG A 1 108 ? 231.948 108.855 10.155 1.00 94.26 ? 103 ARG A CD 1 ATOM 807 N NE . ARG A 1 108 ? 233.289 108.734 9.592 1.00 101.01 ? 103 ARG A NE 1 ATOM 808 C CZ . ARG A 1 108 ? 234.393 109.182 10.178 1.00 99.50 ? 103 ARG A CZ 1 ATOM 809 N NH1 . ARG A 1 108 ? 234.324 109.788 11.356 1.00 97.60 ? 103 ARG A NH1 1 ATOM 810 N NH2 . ARG A 1 108 ? 235.567 109.022 9.586 1.00 97.86 ? 103 ARG A NH2 1 ATOM 811 N N . LEU A 1 109 ? 228.558 110.518 11.641 1.00 76.78 ? 104 LEU A N 1 ATOM 812 C CA . LEU A 1 109 ? 228.884 111.524 12.642 1.00 75.66 ? 104 LEU A CA 1 ATOM 813 C C . LEU A 1 109 ? 230.385 111.557 12.884 1.00 76.98 ? 104 LEU A C 1 ATOM 814 O O . LEU A 1 109 ? 231.021 110.510 12.997 1.00 76.31 ? 104 LEU A O 1 ATOM 815 C CB . LEU A 1 109 ? 228.148 111.242 13.955 1.00 78.15 ? 104 LEU A CB 1 ATOM 816 C CG . LEU A 1 109 ? 226.620 111.306 13.925 1.00 70.36 ? 104 LEU A CG 1 ATOM 817 C CD1 . LEU A 1 109 ? 226.035 110.941 15.282 1.00 65.40 ? 104 LEU A CD1 1 ATOM 818 C CD2 . LEU A 1 109 ? 226.154 112.687 13.493 1.00 67.67 ? 104 LEU A CD2 1 ATOM 819 N N . PRO A 1 110 ? 230.962 112.763 12.953 1.00 72.93 ? 105 PRO A N 1 ATOM 820 C CA . PRO A 1 110 ? 232.393 112.881 13.232 1.00 79.67 ? 105 PRO A CA 1 ATOM 821 C C . PRO A 1 110 ? 232.690 112.869 14.724 1.00 79.53 ? 105 PRO A C 1 ATOM 822 O O . PRO A 1 110 ? 231.893 113.383 15.510 1.00 73.56 ? 105 PRO A O 1 ATOM 823 C CB . PRO A 1 110 ? 232.750 114.235 12.621 1.00 73.62 ? 105 PRO A CB 1 ATOM 824 C CG . PRO A 1 110 ? 231.503 115.040 12.797 1.00 69.07 ? 105 PRO A CG 1 ATOM 825 C CD . PRO A 1 110 ? 230.343 114.073 12.685 1.00 72.12 ? 105 PRO A CD 1 ATOM 826 N N . VAL A 1 111 ? 233.815 112.275 15.108 1.00 101.09 ? 106 VAL A N 1 ATOM 827 C CA . VAL A 1 111 ? 234.330 112.465 16.454 1.00 106.86 ? 106 VAL A CA 1 ATOM 828 C C . VAL A 1 111 ? 234.895 113.881 16.507 1.00 109.84 ? 106 VAL A C 1 ATOM 829 O O . VAL A 1 111 ? 235.726 114.249 15.679 1.00 111.87 ? 106 VAL A O 1 ATOM 830 C CB . VAL A 1 111 ? 235.410 111.420 16.831 1.00 101.56 ? 106 VAL A CB 1 ATOM 831 C CG1 . VAL A 1 111 ? 236.403 111.220 15.689 1.00 111.09 ? 106 VAL A CG1 1 ATOM 832 C CG2 . VAL A 1 111 ? 236.127 111.839 18.107 1.00 103.29 ? 106 VAL A CG2 1 ATOM 833 N N . PRO A 1 112 ? 234.407 114.702 17.447 1.00 115.91 ? 107 PRO A N 1 ATOM 834 C CA . PRO A 1 112 ? 234.863 116.093 17.506 1.00 117.11 ? 107 PRO A CA 1 ATOM 835 C C . PRO A 1 112 ? 236.261 116.083 18.116 1.00 124.89 ? 107 PRO A C 1 ATOM 836 O O . PRO A 1 112 ? 237.112 116.863 17.686 1.00 134.54 ? 107 PRO A O 1 ATOM 837 C CB . PRO A 1 112 ? 233.692 116.809 18.178 1.00 122.39 ? 107 PRO A CB 1 ATOM 838 C CG . PRO A 1 112 ? 233.115 115.775 19.084 1.00 118.70 ? 107 PRO A CG 1 ATOM 839 C CD . PRO A 1 112 ? 233.299 114.445 18.385 1.00 116.39 ? 107 PRO A CD 1 ATOM 840 N N . VAL A 1 113 ? 236.470 115.210 19.104 1.00 153.42 ? 108 VAL A N 1 ATOM 841 C CA . VAL A 1 113 ? 237.601 115.185 20.048 1.00 164.79 ? 108 VAL A CA 1 ATOM 842 C C . VAL A 1 113 ? 237.727 116.536 20.785 1.00 163.43 ? 108 VAL A C 1 ATOM 843 O O . VAL A 1 113 ? 238.805 116.943 21.222 1.00 158.00 ? 108 VAL A O 1 ATOM 844 C CB . VAL A 1 113 ? 238.940 114.833 19.313 1.00 167.17 ? 108 VAL A CB 1 ATOM 845 C CG1 . VAL A 1 113 ? 239.543 116.032 18.574 1.00 161.60 ? 108 VAL A CG1 1 ATOM 846 C CG2 . VAL A 1 113 ? 239.947 114.209 20.283 1.00 162.68 ? 108 VAL A CG2 1 ATOM 847 N N . ASN A 1 114 ? 236.582 117.192 20.954 1.00 115.26 ? 109 ASN A N 1 ATOM 848 C CA . ASN A 1 114 ? 236.465 118.466 21.647 1.00 111.01 ? 109 ASN A CA 1 ATOM 849 C C . ASN A 1 114 ? 235.026 118.647 22.106 1.00 111.44 ? 109 ASN A C 1 ATOM 850 O O . ASN A 1 114 ? 234.288 119.461 21.550 1.00 111.87 ? 109 ASN A O 1 ATOM 851 C CB . ASN A 1 114 ? 236.882 119.621 20.737 1.00 117.00 ? 109 ASN A CB 1 ATOM 852 C CG . ASN A 1 114 ? 238.163 120.288 21.189 1.00 122.33 ? 109 ASN A CG 1 ATOM 853 O OD1 . ASN A 1 114 ? 238.966 119.697 21.911 1.00 118.31 ? 109 ASN A OD1 1 ATOM 854 N ND2 . ASN A 1 114 ? 238.362 121.531 20.764 1.00 122.37 ? 109 ASN A ND2 1 ATOM 855 N N . GLU A 1 115 ? 234.633 117.873 23.114 1.00 99.04 ? 110 GLU A N 1 ATOM 856 C CA . GLU A 1 115 ? 233.238 117.801 23.533 1.00 90.91 ? 110 GLU A CA 1 ATOM 857 C C . GLU A 1 115 ? 232.689 119.159 23.949 1.00 94.40 ? 110 GLU A C 1 ATOM 858 O O . GLU A 1 115 ? 233.418 120.008 24.463 1.00 98.90 ? 110 GLU A O 1 ATOM 859 C CB . GLU A 1 115 ? 233.074 116.793 24.677 1.00 94.39 ? 110 GLU A CB 1 ATOM 860 C CG . GLU A 1 115 ? 233.616 117.240 26.026 1.00 95.44 ? 110 GLU A CG 1 ATOM 861 C CD . GLU A 1 115 ? 233.680 116.103 27.033 1.00 101.05 ? 110 GLU A CD 1 ATOM 862 O OE1 . GLU A 1 115 ? 233.051 116.212 28.106 1.00 104.81 ? 110 GLU A OE1 1 ATOM 863 O OE2 . GLU A 1 115 ? 234.365 115.097 26.753 1.00 111.92 ? 110 GLU A OE2 1 ATOM 864 N N . LEU A 1 116 ? 231.400 119.354 23.693 1.00 105.16 ? 111 LEU A N 1 ATOM 865 C CA . LEU A 1 116 ? 230.709 120.588 24.044 1.00 101.95 ? 111 LEU A CA 1 ATOM 866 C C . LEU A 1 116 ? 230.938 120.938 25.507 1.00 108.76 ? 111 LEU A C 1 ATOM 867 O O . LEU A 1 116 ? 230.974 120.054 26.353 1.00 112.37 ? 111 LEU A O 1 ATOM 868 C CB . LEU A 1 116 ? 229.217 120.455 23.754 1.00 103.55 ? 111 LEU A CB 1 ATOM 869 C CG . LEU A 1 116 ? 228.723 120.994 22.412 1.00 104.43 ? 111 LEU A CG 1 ATOM 870 C CD1 . LEU A 1 116 ? 227.561 121.982 22.648 1.00 110.00 ? 111 LEU A CD1 1 ATOM 871 C CD2 . LEU A 1 116 ? 229.874 121.583 21.545 1.00 108.01 ? 111 LEU A CD2 1 ATOM 872 N N . PRO A 1 117 ? 231.103 122.233 25.808 1.00 125.06 ? 112 PRO A N 1 ATOM 873 C CA . PRO A 1 117 ? 231.596 122.674 27.121 1.00 124.32 ? 112 PRO A CA 1 ATOM 874 C C . PRO A 1 117 ? 230.707 122.416 28.347 1.00 123.68 ? 112 PRO A C 1 ATOM 875 O O . PRO A 1 117 ? 231.208 121.892 29.344 1.00 130.36 ? 112 PRO A O 1 ATOM 876 C CB . PRO A 1 117 ? 231.772 124.186 26.931 1.00 124.49 ? 112 PRO A CB 1 ATOM 877 C CG . PRO A 1 117 ? 230.910 124.535 25.772 1.00 126.26 ? 112 PRO A CG 1 ATOM 878 C CD . PRO A 1 117 ? 230.960 123.357 24.867 1.00 126.54 ? 112 PRO A CD 1 ATOM 879 N N . HIS A 1 118 ? 229.430 122.779 28.292 1.00 123.04 ? 113 HIS A N 1 ATOM 880 C CA . HIS A 1 118 ? 228.673 122.989 29.527 1.00 128.85 ? 113 HIS A CA 1 ATOM 881 C C . HIS A 1 118 ? 227.655 121.923 29.953 1.00 125.25 ? 113 HIS A C 1 ATOM 882 O O . HIS A 1 118 ? 227.224 121.931 31.104 1.00 129.12 ? 113 HIS A O 1 ATOM 883 C CB . HIS A 1 118 ? 227.955 124.336 29.438 1.00 134.61 ? 113 HIS A CB 1 ATOM 884 C CG . HIS A 1 118 ? 228.795 125.494 29.879 1.00 137.50 ? 113 HIS A CG 1 ATOM 885 N ND1 . HIS A 1 118 ? 228.788 126.710 29.232 1.00 140.27 ? 113 HIS A ND1 1 ATOM 886 C CD2 . HIS A 1 118 ? 229.665 125.620 30.909 1.00 137.21 ? 113 HIS A CD2 1 ATOM 887 C CE1 . HIS A 1 118 ? 229.620 127.536 29.843 1.00 149.05 ? 113 HIS A CE1 1 ATOM 888 N NE2 . HIS A 1 118 ? 230.165 126.899 30.864 1.00 140.15 ? 113 HIS A NE2 1 ATOM 889 N N . GLY A 1 119 ? 227.274 121.015 29.059 1.00 93.32 ? 114 GLY A N 1 ATOM 890 C CA . GLY A 1 119 ? 226.291 119.990 29.389 1.00 89.02 ? 114 GLY A CA 1 ATOM 891 C C . GLY A 1 119 ? 226.663 119.106 30.573 1.00 86.15 ? 114 GLY A C 1 ATOM 892 O O . GLY A 1 119 ? 227.747 119.241 31.141 1.00 84.92 ? 114 GLY A O 1 ATOM 893 N N . TRP A 1 120 ? 225.767 118.201 30.961 1.00 89.43 ? 115 TRP A N 1 ATOM 894 C CA . TRP A 1 120 ? 226.068 117.289 32.063 1.00 86.24 ? 115 TRP A CA 1 ATOM 895 C C . TRP A 1 120 ? 226.802 116.047 31.568 1.00 87.71 ? 115 TRP A C 1 ATOM 896 O O . TRP A 1 120 ? 227.143 115.948 30.389 1.00 87.59 ? 115 TRP A O 1 ATOM 897 C CB . TRP A 1 120 ? 224.797 116.897 32.826 1.00 82.47 ? 115 TRP A CB 1 ATOM 898 C CG . TRP A 1 120 ? 223.610 116.573 31.980 1.00 80.74 ? 115 TRP A CG 1 ATOM 899 C CD1 . TRP A 1 120 ? 223.161 115.333 31.646 1.00 86.77 ? 115 TRP A CD1 1 ATOM 900 C CD2 . TRP A 1 120 ? 222.699 117.504 31.384 1.00 84.06 ? 115 TRP A CD2 1 ATOM 901 N NE1 . TRP A 1 120 ? 222.032 115.429 30.869 1.00 82.51 ? 115 TRP A NE1 1 ATOM 902 C CE2 . TRP A 1 120 ? 221.729 116.753 30.693 1.00 84.47 ? 115 TRP A CE2 1 ATOM 903 C CE3 . TRP A 1 120 ? 222.613 118.898 31.363 1.00 84.75 ? 115 TRP A CE3 1 ATOM 904 C CZ2 . TRP A 1 120 ? 220.686 117.349 29.988 1.00 87.36 ? 115 TRP A CZ2 1 ATOM 905 C CZ3 . TRP A 1 120 ? 221.578 119.487 30.662 1.00 83.42 ? 115 TRP A CZ3 1 ATOM 906 C CH2 . TRP A 1 120 ? 220.628 118.714 29.985 1.00 81.80 ? 115 TRP A CH2 1 ATOM 907 N N . LYS A 1 121 ? 227.043 115.103 32.474 1.00 96.80 ? 116 LYS A N 1 ATOM 908 C CA . LYS A 1 121 ? 227.948 113.989 32.203 1.00 89.64 ? 116 LYS A CA 1 ATOM 909 C C . LYS A 1 121 ? 227.241 112.646 32.010 1.00 88.79 ? 116 LYS A C 1 ATOM 910 O O . LYS A 1 121 ? 227.703 111.808 31.236 1.00 91.95 ? 116 LYS A O 1 ATOM 911 C CB . LYS A 1 121 ? 228.967 113.871 33.338 1.00 96.28 ? 116 LYS A CB 1 ATOM 912 C CG . LYS A 1 121 ? 230.412 113.819 32.878 1.00 101.36 ? 116 LYS A CG 1 ATOM 913 C CD . LYS A 1 121 ? 231.355 114.048 34.044 1.00 107.08 ? 116 LYS A CD 1 ATOM 914 C CE . LYS A 1 121 ? 231.117 115.412 34.673 1.00 106.62 ? 116 LYS A CE 1 ATOM 915 N NZ . LYS A 1 121 ? 231.959 115.627 35.881 1.00 109.98 ? 116 LYS A NZ 1 ATOM 916 N N . ALA A 1 122 ? 226.134 112.439 32.717 1.00 86.22 ? 117 ALA A N 1 ATOM 917 C CA . ALA A 1 122 ? 225.384 111.187 32.612 1.00 88.40 ? 117 ALA A CA 1 ATOM 918 C C . ALA A 1 122 ? 224.130 111.365 31.758 1.00 95.89 ? 117 ALA A C 1 ATOM 919 O O . ALA A 1 122 ? 223.717 112.488 31.483 1.00 99.68 ? 117 ALA A O 1 ATOM 920 C CB . ALA A 1 122 ? 225.020 110.669 33.992 1.00 83.79 ? 117 ALA A CB 1 ATOM 921 N N . TRP A 1 123 ? 223.516 110.256 31.354 1.00 84.89 ? 118 TRP A N 1 ATOM 922 C CA . TRP A 1 123 ? 222.438 110.296 30.366 1.00 78.79 ? 118 TRP A CA 1 ATOM 923 C C . TRP A 1 123 ? 221.017 110.174 30.922 1.00 83.15 ? 118 TRP A C 1 ATOM 924 O O . TRP A 1 123 ? 220.055 110.235 30.161 1.00 91.11 ? 118 TRP A O 1 ATOM 925 C CB . TRP A 1 123 ? 222.644 109.185 29.333 1.00 79.05 ? 118 TRP A CB 1 ATOM 926 C CG . TRP A 1 123 ? 223.435 109.589 28.128 1.00 72.93 ? 118 TRP A CG 1 ATOM 927 C CD1 . TRP A 1 123 ? 224.630 109.070 27.720 1.00 74.62 ? 118 TRP A CD1 1 ATOM 928 C CD2 . TRP A 1 123 ? 223.085 110.592 27.168 1.00 70.94 ? 118 TRP A CD2 1 ATOM 929 N NE1 . TRP A 1 123 ? 225.045 109.688 26.566 1.00 74.12 ? 118 TRP A NE1 1 ATOM 930 C CE2 . TRP A 1 123 ? 224.115 110.628 26.207 1.00 73.16 ? 118 TRP A CE2 1 ATOM 931 C CE3 . TRP A 1 123 ? 222.002 111.465 27.029 1.00 76.96 ? 118 TRP A CE3 1 ATOM 932 C CZ2 . TRP A 1 123 ? 224.090 111.497 25.120 1.00 71.85 ? 118 TRP A CZ2 1 ATOM 933 C CZ3 . TRP A 1 123 ? 221.984 112.332 25.953 1.00 71.06 ? 118 TRP A CZ3 1 ATOM 934 C CH2 . TRP A 1 123 ? 223.022 112.344 25.015 1.00 70.67 ? 118 TRP A CH2 1 ATOM 935 N N . GLY A 1 124 ? 220.871 110.000 32.230 1.00 82.85 ? 119 GLY A N 1 ATOM 936 C CA . GLY A 1 124 ? 219.560 109.709 32.790 1.00 89.34 ? 119 GLY A CA 1 ATOM 937 C C . GLY A 1 124 ? 218.797 110.865 33.417 1.00 88.30 ? 119 GLY A C 1 ATOM 938 O O . GLY A 1 124 ? 217.901 110.644 34.233 1.00 90.72 ? 119 GLY A O 1 ATOM 939 N N . LYS A 1 125 ? 219.128 112.092 33.028 1.00 82.73 ? 120 LYS A N 1 ATOM 940 C CA . LYS A 1 125 ? 218.554 113.279 33.663 1.00 83.68 ? 120 LYS A CA 1 ATOM 941 C C . LYS A 1 125 ? 217.066 113.478 33.366 1.00 81.91 ? 120 LYS A C 1 ATOM 942 O O . LYS A 1 125 ? 216.572 113.081 32.311 1.00 82.18 ? 120 LYS A O 1 ATOM 943 C CB . LYS A 1 125 ? 219.330 114.528 33.242 1.00 78.30 ? 120 LYS A CB 1 ATOM 944 C CG . LYS A 1 125 ? 220.405 114.960 34.229 1.00 80.42 ? 120 LYS A CG 1 ATOM 945 C CD . LYS A 1 125 ? 221.519 113.936 34.361 1.00 86.72 ? 120 LYS A CD 1 ATOM 946 C CE . LYS A 1 125 ? 222.639 114.466 35.245 1.00 81.00 ? 120 LYS A CE 1 ATOM 947 N NZ . LYS A 1 125 ? 223.792 113.529 35.318 1.00 77.50 ? 120 LYS A NZ 1 ATOM 948 N N . SER A 1 126 ? 216.364 114.101 34.310 1.00 89.56 ? 121 SER A N 1 ATOM 949 C CA . SER A 1 126 ? 214.930 114.355 34.179 1.00 93.55 ? 121 SER A CA 1 ATOM 950 C C . SER A 1 126 ? 214.538 115.710 34.772 1.00 95.43 ? 121 SER A C 1 ATOM 951 O O . SER A 1 126 ? 215.396 116.484 35.203 1.00 86.75 ? 121 SER A O 1 ATOM 952 C CB . SER A 1 126 ? 214.125 113.247 34.864 1.00 86.76 ? 121 SER A CB 1 ATOM 953 O OG . SER A 1 126 ? 214.730 111.979 34.684 1.00 95.71 ? 121 SER A OG 1 ATOM 954 N N . TYR A 1 127 ? 213.235 115.984 34.774 1.00 95.08 ? 122 TYR A N 1 ATOM 955 C CA . TYR A 1 127 ? 212.657 117.153 35.441 1.00 92.17 ? 122 TYR A CA 1 ATOM 956 C C . TYR A 1 127 ? 213.166 118.491 34.903 1.00 96.37 ? 122 TYR A C 1 ATOM 957 O O . TYR A 1 127 ? 213.010 119.523 35.556 1.00 96.34 ? 122 TYR A O 1 ATOM 958 C CB . TYR A 1 127 ? 212.924 117.081 36.947 1.00 84.49 ? 122 TYR A CB 1 ATOM 959 C CG . TYR A 1 127 ? 212.585 115.748 37.573 1.00 90.86 ? 122 TYR A CG 1 ATOM 960 C CD1 . TYR A 1 127 ? 211.419 115.071 37.232 1.00 91.49 ? 122 TYR A CD1 1 ATOM 961 C CD2 . TYR A 1 127 ? 213.436 115.160 38.498 1.00 89.95 ? 122 TYR A CD2 1 ATOM 962 C CE1 . TYR A 1 127 ? 211.108 113.849 37.803 1.00 86.63 ? 122 TYR A CE1 1 ATOM 963 C CE2 . TYR A 1 127 ? 213.135 113.938 39.072 1.00 89.42 ? 122 TYR A CE2 1 ATOM 964 C CZ . TYR A 1 127 ? 211.970 113.288 38.721 1.00 89.61 ? 122 TYR A CZ 1 ATOM 965 O OH . TYR A 1 127 ? 211.667 112.073 39.292 1.00 86.28 ? 122 TYR A OH 1 ATOM 966 N N . PHE A 1 128 ? 213.762 118.475 33.715 1.00 88.02 ? 123 PHE A N 1 ATOM 967 C CA . PHE A 1 128 ? 214.343 119.685 33.141 1.00 91.49 ? 123 PHE A CA 1 ATOM 968 C C . PHE A 1 128 ? 213.403 120.358 32.143 1.00 97.02 ? 123 PHE A C 1 ATOM 969 O O . PHE A 1 128 ? 212.414 119.769 31.710 1.00 102.34 ? 123 PHE A O 1 ATOM 970 C CB . PHE A 1 128 ? 215.678 119.363 32.463 1.00 92.41 ? 123 PHE A CB 1 ATOM 971 C CG . PHE A 1 128 ? 215.567 118.363 31.345 1.00 100.54 ? 123 PHE A CG 1 ATOM 972 C CD1 . PHE A 1 128 ? 215.671 117.005 31.599 1.00 96.24 ? 123 PHE A CD1 1 ATOM 973 C CD2 . PHE A 1 128 ? 215.362 118.782 30.040 1.00 98.90 ? 123 PHE A CD2 1 ATOM 974 C CE1 . PHE A 1 128 ? 215.570 116.084 30.573 1.00 88.40 ? 123 PHE A CE1 1 ATOM 975 C CE2 . PHE A 1 128 ? 215.260 117.866 29.011 1.00 93.22 ? 123 PHE A CE2 1 ATOM 976 C CZ . PHE A 1 128 ? 215.365 116.515 29.278 1.00 92.64 ? 123 PHE A CZ 1 ATOM 977 N N . VAL A 1 129 ? 213.722 121.599 31.785 1.00 94.31 ? 124 VAL A N 1 ATOM 978 C CA . VAL A 1 129 ? 212.953 122.332 30.787 1.00 97.62 ? 124 VAL A CA 1 ATOM 979 C C . VAL A 1 129 ? 213.362 121.894 29.386 1.00 96.90 ? 124 VAL A C 1 ATOM 980 O O . VAL A 1 129 ? 214.551 121.836 29.073 1.00 97.20 ? 124 VAL A O 1 ATOM 981 C CB . VAL A 1 129 ? 213.154 123.857 30.911 1.00 95.13 ? 124 VAL A CB 1 ATOM 982 C CG1 . VAL A 1 129 ? 212.004 124.598 30.244 1.00 93.04 ? 124 VAL A CG1 1 ATOM 983 C CG2 . VAL A 1 129 ? 213.276 124.263 32.367 1.00 90.44 ? 124 VAL A CG2 1 ATOM 984 N N . ARG A 1 130 ? 212.380 121.586 28.545 1.00 123.36 ? 125 ARG A N 1 ATOM 985 C CA . ARG A 1 130 ? 212.667 121.193 27.170 1.00 124.60 ? 125 ARG A CA 1 ATOM 986 C C . ARG A 1 130 ? 213.073 122.406 26.337 1.00 122.44 ? 125 ARG A C 1 ATOM 987 O O . ARG A 1 130 ? 212.599 123.518 26.570 1.00 125.29 ? 125 ARG A O 1 ATOM 988 C CB . ARG A 1 130 ? 211.461 120.490 26.535 1.00 127.16 ? 125 ARG A CB 1 ATOM 989 C CG . ARG A 1 130 ? 210.231 120.373 27.430 1.00 133.38 ? 125 ARG A CG 1 ATOM 990 C CD . ARG A 1 130 ? 209.282 121.551 27.243 1.00 145.33 ? 125 ARG A CD 1 ATOM 991 N NE . ARG A 1 130 ? 207.919 121.226 27.659 1.00 153.22 ? 125 ARG A NE 1 ATOM 992 C CZ . ARG A 1 130 ? 206.877 122.039 27.513 1.00 152.72 ? 125 ARG A CZ 1 ATOM 993 N NH1 . ARG A 1 130 ? 207.036 123.234 26.961 1.00 147.62 ? 125 ARG A NH1 1 ATOM 994 N NH2 . ARG A 1 130 ? 205.673 121.657 27.919 1.00 147.41 ? 125 ARG A NH2 1 ATOM 995 N N . ALA A 1 131 ? 213.956 122.187 25.368 1.00 101.66 ? 126 ALA A N 1 ATOM 996 C CA . ALA A 1 131 ? 214.452 123.270 24.526 1.00 100.39 ? 126 ALA A CA 1 ATOM 997 C C . ALA A 1 131 ? 213.381 123.765 23.560 1.00 103.98 ? 126 ALA A C 1 ATOM 998 O O . ALA A 1 131 ? 212.365 123.103 23.349 1.00 97.68 ? 126 ALA A O 1 ATOM 999 C CB . ALA A 1 131 ? 215.683 122.819 23.760 1.00 89.97 ? 126 ALA A CB 1 ATOM 1000 N N . ALA A 1 132 ? 213.616 124.936 22.977 1.00 113.22 ? 127 ALA A N 1 ATOM 1001 C CA . ALA A 1 132 ? 212.691 125.507 22.005 1.00 108.51 ? 127 ALA A CA 1 ATOM 1002 C C . ALA A 1 132 ? 213.013 125.008 20.603 1.00 112.51 ? 127 ALA A C 1 ATOM 1003 O O . ALA A 1 132 ? 214.149 124.631 20.316 1.00 111.19 ? 127 ALA A O 1 ATOM 1004 C CB . ALA A 1 132 ? 212.739 127.024 22.052 1.00 107.02 ? 127 ALA A CB 1 ATOM 1005 N N . LYS A 1 133 ? 212.010 125.008 19.732 1.00 103.18 ? 128 LYS A N 1 ATOM 1006 C CA . LYS A 1 133 ? 212.200 124.557 18.359 1.00 99.61 ? 128 LYS A CA 1 ATOM 1007 C C . LYS A 1 133 ? 213.040 125.550 17.562 1.00 103.39 ? 128 LYS A C 1 ATOM 1008 O O . LYS A 1 133 ? 213.342 126.646 18.035 1.00 105.05 ? 128 LYS A O 1 ATOM 1009 C CB . LYS A 1 133 ? 210.850 124.330 17.678 1.00 106.85 ? 128 LYS A CB 1 ATOM 1010 C CG . LYS A 1 133 ? 210.110 123.108 18.196 1.00 112.31 ? 128 LYS A CG 1 ATOM 1011 C CD . LYS A 1 133 ? 208.688 123.044 17.670 1.00 119.10 ? 128 LYS A CD 1 ATOM 1012 C CE . LYS A 1 133 ? 207.961 121.828 18.220 1.00 120.60 ? 128 LYS A CE 1 ATOM 1013 N NZ . LYS A 1 133 ? 206.508 121.852 17.899 1.00 121.72 ? 128 LYS A NZ 1 ATOM 1014 N N . THR A 1 134 ? 213.416 125.154 16.351 1.00 101.26 ? 129 THR A N 1 ATOM 1015 C CA . THR A 1 134 ? 214.313 125.947 15.520 1.00 98.83 ? 129 THR A CA 1 ATOM 1016 C C . THR A 1 134 ? 214.037 125.680 14.043 1.00 107.70 ? 129 THR A C 1 ATOM 1017 O O . THR A 1 134 ? 213.630 124.577 13.679 1.00 110.74 ? 129 THR A O 1 ATOM 1018 C CB . THR A 1 134 ? 215.795 125.628 15.833 1.00 103.77 ? 129 THR A CB 1 ATOM 1019 O OG1 . THR A 1 134 ? 216.022 125.706 17.246 1.00 100.19 ? 129 THR A OG1 1 ATOM 1020 C CG2 . THR A 1 134 ? 216.729 126.595 15.121 1.00 116.32 ? 129 THR A CG2 1 ATOM 1021 N N . ASN A 1 135 ? 214.240 126.689 13.199 1.00 128.97 ? 130 ASN A N 1 ATOM 1022 C CA . ASN A 1 135 ? 214.207 126.487 11.755 1.00 131.89 ? 130 ASN A CA 1 ATOM 1023 C C . ASN A 1 135 ? 215.207 125.407 11.357 1.00 128.38 ? 130 ASN A C 1 ATOM 1024 O O . ASN A 1 135 ? 214.936 124.581 10.484 1.00 129.63 ? 130 ASN A O 1 ATOM 1025 C CB . ASN A 1 135 ? 214.508 127.791 11.011 1.00 136.84 ? 130 ASN A CB 1 ATOM 1026 C CG . ASN A 1 135 ? 213.309 128.722 10.949 1.00 135.94 ? 130 ASN A CG 1 ATOM 1027 O OD1 . ASN A 1 135 ? 212.378 128.614 11.748 1.00 126.88 ? 130 ASN A OD1 1 ATOM 1028 N ND2 . ASN A 1 135 ? 213.328 129.644 9.991 1.00 131.07 ? 130 ASN A ND2 1 ATOM 1029 N N . ASN A 1 136 ? 216.363 125.421 12.013 1.00 121.82 ? 131 ASN A N 1 ATOM 1030 C CA . ASN A 1 136 ? 217.365 124.379 11.838 1.00 121.22 ? 131 ASN A CA 1 ATOM 1031 C C . ASN A 1 136 ? 216.939 123.083 12.514 1.00 110.53 ? 131 ASN A C 1 ATOM 1032 O O . ASN A 1 136 ? 216.783 123.034 13.734 1.00 110.77 ? 131 ASN A O 1 ATOM 1033 C CB . ASN A 1 136 ? 218.715 124.833 12.393 1.00 125.82 ? 131 ASN A CB 1 ATOM 1034 C CG . ASN A 1 136 ? 219.770 124.974 11.315 1.00 139.11 ? 131 ASN A CG 1 ATOM 1035 O OD1 . ASN A 1 136 ? 219.456 125.247 10.157 1.00 137.71 ? 131 ASN A OD1 1 ATOM 1036 N ND2 . ASN A 1 136 ? 221.030 124.784 11.691 1.00 136.87 ? 131 ASN A ND2 1 ATOM 1037 N N . SER A 1 137 ? 216.749 122.036 11.719 1.00 101.24 ? 132 SER A N 1 ATOM 1038 C CA . SER A 1 137 ? 216.332 120.744 12.250 1.00 94.33 ? 132 SER A CA 1 ATOM 1039 C C . SER A 1 137 ? 217.309 119.636 11.876 1.00 91.61 ? 132 SER A C 1 ATOM 1040 O O . SER A 1 137 ? 217.621 119.438 10.702 1.00 85.28 ? 132 SER A O 1 ATOM 1041 C CB . SER A 1 137 ? 214.929 120.387 11.751 1.00 81.98 ? 132 SER A CB 1 ATOM 1042 O OG . SER A 1 137 ? 213.959 121.277 12.275 1.00 94.90 ? 132 SER A OG 1 ATOM 1043 N N . PHE A 1 138 ? 217.793 118.922 12.887 1.00 91.80 ? 133 PHE A N 1 ATOM 1044 C CA . PHE A 1 138 ? 218.621 117.745 12.665 1.00 85.67 ? 133 PHE A CA 1 ATOM 1045 C C . PHE A 1 138 ? 217.719 116.517 12.623 1.00 82.02 ? 133 PHE A C 1 ATOM 1046 O O . PHE A 1 138 ? 217.212 116.066 13.652 1.00 79.59 ? 133 PHE A O 1 ATOM 1047 C CB . PHE A 1 138 ? 219.686 117.608 13.753 1.00 82.11 ? 133 PHE A CB 1 ATOM 1048 C CG . PHE A 1 138 ? 220.813 116.689 13.384 1.00 76.62 ? 133 PHE A CG 1 ATOM 1049 C CD1 . PHE A 1 138 ? 221.813 117.110 12.522 1.00 82.55 ? 133 PHE A CD1 1 ATOM 1050 C CD2 . PHE A 1 138 ? 220.876 115.406 13.899 1.00 73.86 ? 133 PHE A CD2 1 ATOM 1051 C CE1 . PHE A 1 138 ? 222.852 116.267 12.177 1.00 81.97 ? 133 PHE A CE1 1 ATOM 1052 C CE2 . PHE A 1 138 ? 221.914 114.560 13.561 1.00 76.55 ? 133 PHE A CE2 1 ATOM 1053 C CZ . PHE A 1 138 ? 222.903 114.990 12.698 1.00 79.59 ? 133 PHE A CZ 1 ATOM 1054 N N . VAL A 1 139 ? 217.524 115.985 11.422 1.00 83.76 ? 134 VAL A N 1 ATOM 1055 C CA . VAL A 1 139 ? 216.502 114.975 11.179 1.00 83.46 ? 134 VAL A CA 1 ATOM 1056 C C . VAL A 1 139 ? 216.980 113.547 11.466 1.00 82.02 ? 134 VAL A C 1 ATOM 1057 O O . VAL A 1 139 ? 218.121 113.185 11.186 1.00 84.39 ? 134 VAL A O 1 ATOM 1058 C CB . VAL A 1 139 ? 215.985 115.085 9.718 1.00 85.18 ? 134 VAL A CB 1 ATOM 1059 C CG1 . VAL A 1 139 ? 216.016 113.743 9.003 1.00 86.67 ? 134 VAL A CG1 1 ATOM 1060 C CG2 . VAL A 1 139 ? 214.587 115.689 9.695 1.00 79.95 ? 134 VAL A CG2 1 ATOM 1061 N N . VAL A 1 140 ? 216.094 112.750 12.055 1.00 75.85 ? 135 VAL A N 1 ATOM 1062 C CA . VAL A 1 140 ? 216.357 111.338 12.301 1.00 70.09 ? 135 VAL A CA 1 ATOM 1063 C C . VAL A 1 140 ? 215.201 110.507 11.750 1.00 68.80 ? 135 VAL A C 1 ATOM 1064 O O . VAL A 1 140 ? 214.181 110.336 12.419 1.00 70.95 ? 135 VAL A O 1 ATOM 1065 C CB . VAL A 1 140 ? 216.541 111.039 13.805 1.00 69.10 ? 135 VAL A CB 1 ATOM 1066 C CG1 . VAL A 1 140 ? 216.841 109.563 14.024 1.00 67.87 ? 135 VAL A CG1 1 ATOM 1067 C CG2 . VAL A 1 140 ? 217.650 111.900 14.391 1.00 67.10 ? 135 VAL A CG2 1 ATOM 1068 N N . ASP A 1 141 ? 215.366 110.016 10.523 1.00 74.20 ? 136 ASP A N 1 ATOM 1069 C CA . ASP A 1 141 ? 214.337 109.237 9.835 1.00 74.59 ? 136 ASP A CA 1 ATOM 1070 C C . ASP A 1 141 ? 213.008 109.988 9.759 1.00 82.97 ? 136 ASP A C 1 ATOM 1071 O O . ASP A 1 141 ? 212.972 111.217 9.814 1.00 87.16 ? 136 ASP A O 1 ATOM 1072 C CB . ASP A 1 141 ? 214.133 107.889 10.532 1.00 70.29 ? 136 ASP A CB 1 ATOM 1073 C CG . ASP A 1 141 ? 215.426 107.125 10.710 1.00 74.43 ? 136 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 141 ? 216.218 107.055 9.745 1.00 76.91 ? 136 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 141 ? 215.653 106.599 11.820 1.00 71.26 ? 136 ASP A OD2 1 ATOM 1076 N N . GLY A 1 142 ? 211.919 109.238 9.622 1.00 102.10 ? 137 GLY A N 1 ATOM 1077 C CA . GLY A 1 142 ? 210.582 109.793 9.743 1.00 104.77 ? 137 GLY A CA 1 ATOM 1078 C C . GLY A 1 142 ? 210.080 110.660 8.607 1.00 111.21 ? 137 GLY A C 1 ATOM 1079 O O . GLY A 1 142 ? 209.656 111.794 8.839 1.00 118.13 ? 137 GLY A O 1 ATOM 1080 N N . ASP A 1 143 ? 210.118 110.125 7.388 1.00 79.24 ? 138 ASP A N 1 ATOM 1081 C CA . ASP A 1 143 ? 209.506 110.770 6.227 1.00 84.24 ? 138 ASP A CA 1 ATOM 1082 C C . ASP A 1 143 ? 210.004 112.203 6.043 1.00 85.30 ? 138 ASP A C 1 ATOM 1083 O O . ASP A 1 143 ? 209.233 113.159 6.134 1.00 73.22 ? 138 ASP A O 1 ATOM 1084 C CB . ASP A 1 143 ? 207.979 110.747 6.361 1.00 79.17 ? 138 ASP A CB 1 ATOM 1085 C CG . ASP A 1 143 ? 207.271 111.269 5.127 1.00 83.41 ? 138 ASP A CG 1 ATOM 1086 O OD1 . ASP A 1 143 ? 206.116 111.723 5.257 1.00 96.22 ? 138 ASP A OD1 1 ATOM 1087 O OD2 . ASP A 1 143 ? 207.868 111.231 4.031 1.00 81.81 ? 138 ASP A OD2 1 ATOM 1088 N N . THR A 1 144 ? 211.301 112.343 5.792 1.00 84.31 ? 139 THR A N 1 ATOM 1089 C CA . THR A 1 144 ? 211.923 113.658 5.701 1.00 80.07 ? 139 THR A CA 1 ATOM 1090 C C . THR A 1 144 ? 212.994 113.726 4.616 1.00 81.35 ? 139 THR A C 1 ATOM 1091 O O . THR A 1 144 ? 213.869 114.590 4.659 1.00 81.38 ? 139 THR A O 1 ATOM 1092 C CB . THR A 1 144 ? 212.563 114.065 7.041 1.00 74.79 ? 139 THR A CB 1 ATOM 1093 O OG1 . THR A 1 144 ? 213.308 112.959 7.565 1.00 78.03 ? 139 THR A OG1 1 ATOM 1094 C CG2 . THR A 1 144 ? 211.498 114.466 8.050 1.00 74.34 ? 139 THR A CG2 1 ATOM 1095 N N . LEU A 1 145 ? 212.927 112.816 3.649 1.00 81.88 ? 140 LEU A N 1 ATOM 1096 C CA . LEU A 1 145 ? 213.879 112.821 2.543 1.00 80.74 ? 140 LEU A CA 1 ATOM 1097 C C . LEU A 1 145 ? 213.737 114.087 1.707 1.00 90.48 ? 140 LEU A C 1 ATOM 1098 O O . LEU A 1 145 ? 214.704 114.558 1.110 1.00 92.36 ? 140 LEU A O 1 ATOM 1099 C CB . LEU A 1 145 ? 213.692 111.590 1.656 1.00 74.14 ? 140 LEU A CB 1 ATOM 1100 C CG . LEU A 1 145 ? 214.145 110.251 2.238 1.00 81.38 ? 140 LEU A CG 1 ATOM 1101 C CD1 . LEU A 1 145 ? 214.018 109.149 1.198 1.00 82.87 ? 140 LEU A CD1 1 ATOM 1102 C CD2 . LEU A 1 145 ? 215.576 110.349 2.740 1.00 83.86 ? 140 LEU A CD2 1 ATOM 1103 N N . LYS A 1 146 ? 212.526 114.633 1.676 1.00 114.27 ? 141 LYS A N 1 ATOM 1104 C CA . LYS A 1 146 ? 212.242 115.832 0.897 1.00 115.19 ? 141 LYS A CA 1 ATOM 1105 C C . LYS A 1 146 ? 213.013 117.047 1.409 1.00 112.55 ? 141 LYS A C 1 ATOM 1106 O O . LYS A 1 146 ? 213.505 117.848 0.617 1.00 117.10 ? 141 LYS A O 1 ATOM 1107 C CB . LYS A 1 146 ? 210.739 116.125 0.899 1.00 123.38 ? 141 LYS A CB 1 ATOM 1108 C CG . LYS A 1 146 ? 209.935 115.225 -0.029 1.00 124.05 ? 141 LYS A CG 1 ATOM 1109 C CD . LYS A 1 146 ? 210.372 115.409 -1.475 1.00 120.94 ? 141 LYS A CD 1 ATOM 1110 C CE . LYS A 1 146 ? 209.667 114.436 -2.404 1.00 119.45 ? 141 LYS A CE 1 ATOM 1111 N NZ . LYS A 1 146 ? 210.119 114.602 -3.814 1.00 131.05 ? 141 LYS A NZ 1 ATOM 1112 N N . GLU A 1 147 ? 213.122 117.181 2.727 1.00 105.17 ? 142 GLU A N 1 ATOM 1113 C CA . GLU A 1 147 ? 213.833 118.318 3.307 1.00 102.55 ? 142 GLU A CA 1 ATOM 1114 C C . GLU A 1 147 ? 215.275 117.965 3.664 1.00 102.91 ? 142 GLU A C 1 ATOM 1115 O O . GLU A 1 147 ? 216.023 118.812 4.153 1.00 101.25 ? 142 GLU A O 1 ATOM 1116 C CB . GLU A 1 147 ? 213.102 118.841 4.544 1.00 100.60 ? 142 GLU A CB 1 ATOM 1117 C CG . GLU A 1 147 ? 213.066 117.880 5.715 1.00 101.15 ? 142 GLU A CG 1 ATOM 1118 C CD . GLU A 1 147 ? 212.622 118.556 6.997 1.00 107.36 ? 142 GLU A CD 1 ATOM 1119 O OE1 . GLU A 1 147 ? 213.130 119.658 7.293 1.00 96.23 ? 142 GLU A OE1 1 ATOM 1120 O OE2 . GLU A 1 147 ? 211.760 117.992 7.704 1.00 106.01 ? 142 GLU A OE2 1 ATOM 1121 N N . CYS A 1 148 ? 215.654 116.715 3.415 1.00 106.06 ? 143 CYS A N 1 ATOM 1122 C CA . CYS A 1 148 ? 217.027 116.257 3.618 1.00 95.57 ? 143 CYS A CA 1 ATOM 1123 C C . CYS A 1 148 ? 217.250 114.903 2.955 1.00 99.75 ? 143 CYS A C 1 ATOM 1124 O O . CYS A 1 148 ? 216.849 113.872 3.496 1.00 98.99 ? 143 CYS A O 1 ATOM 1125 C CB . CYS A 1 148 ? 217.364 116.162 5.106 1.00 96.16 ? 143 CYS A CB 1 ATOM 1126 S SG . CYS A 1 148 ? 219.009 115.483 5.431 1.00 102.44 ? 143 CYS A SG 1 ATOM 1127 N N . PRO A 1 149 ? 217.899 114.901 1.783 1.00 92.69 ? 144 PRO A N 1 ATOM 1128 C CA . PRO A 1 149 ? 218.112 113.665 1.023 1.00 93.30 ? 144 PRO A CA 1 ATOM 1129 C C . PRO A 1 149 ? 219.074 112.695 1.704 1.00 86.56 ? 144 PRO A C 1 ATOM 1130 O O . PRO A 1 149 ? 219.876 113.095 2.549 1.00 83.23 ? 144 PRO A O 1 ATOM 1131 C CB . PRO A 1 149 ? 218.692 114.167 -0.302 1.00 93.14 ? 144 PRO A CB 1 ATOM 1132 C CG . PRO A 1 149 ? 219.337 115.459 0.040 1.00 89.56 ? 144 PRO A CG 1 ATOM 1133 C CD . PRO A 1 149 ? 218.471 116.074 1.100 1.00 88.99 ? 144 PRO A CD 1 ATOM 1134 N N . LEU A 1 150 ? 218.974 111.426 1.317 1.00 86.12 ? 145 LEU A N 1 ATOM 1135 C CA . LEU A 1 150 ? 219.789 110.341 1.856 1.00 84.36 ? 145 LEU A CA 1 ATOM 1136 C C . LEU A 1 150 ? 221.279 110.663 1.874 1.00 87.13 ? 145 LEU A C 1 ATOM 1137 O O . LEU A 1 150 ? 221.978 110.381 2.848 1.00 85.45 ? 145 LEU A O 1 ATOM 1138 C CB . LEU A 1 150 ? 219.562 109.076 1.025 1.00 76.23 ? 145 LEU A CB 1 ATOM 1139 C CG . LEU A 1 150 ? 219.484 107.687 1.661 1.00 75.10 ? 145 LEU A CG 1 ATOM 1140 C CD1 . LEU A 1 150 ? 219.724 106.639 0.584 1.00 76.88 ? 145 LEU A CD1 1 ATOM 1141 C CD2 . LEU A 1 150 ? 220.457 107.514 2.813 1.00 76.82 ? 145 LEU A CD2 1 ATOM 1142 N N . LYS A 1 151 ? 221.754 111.263 0.790 1.00 94.60 ? 146 LYS A N 1 ATOM 1143 C CA . LYS A 1 151 ? 223.183 111.387 0.545 1.00 94.93 ? 146 LYS A CA 1 ATOM 1144 C C . LYS A 1 151 ? 223.826 112.546 1.302 1.00 92.90 ? 146 LYS A C 1 ATOM 1145 O O . LYS A 1 151 ? 224.989 112.876 1.077 1.00 92.62 ? 146 LYS A O 1 ATOM 1146 C CB . LYS A 1 151 ? 223.423 111.519 -0.959 1.00 100.13 ? 146 LYS A CB 1 ATOM 1147 C CG . LYS A 1 151 ? 222.800 110.365 -1.739 1.00 109.22 ? 146 LYS A CG 1 ATOM 1148 C CD . LYS A 1 151 ? 222.788 110.604 -3.238 1.00 122.88 ? 146 LYS A CD 1 ATOM 1149 C CE . LYS A 1 151 ? 222.030 109.493 -3.952 1.00 110.29 ? 146 LYS A CE 1 ATOM 1150 N NZ . LYS A 1 151 ? 222.043 109.660 -5.431 1.00 106.92 ? 146 LYS A NZ 1 ATOM 1151 N N . HIS A 1 152 ? 223.068 113.151 2.209 1.00 84.09 ? 147 HIS A N 1 ATOM 1152 C CA . HIS A 1 152 ? 223.614 114.151 3.117 1.00 82.46 ? 147 HIS A CA 1 ATOM 1153 C C . HIS A 1 152 ? 223.407 113.721 4.565 1.00 79.25 ? 147 HIS A C 1 ATOM 1154 O O . HIS A 1 152 ? 223.428 114.548 5.476 1.00 79.03 ? 147 HIS A O 1 ATOM 1155 C CB . HIS A 1 152 ? 222.971 115.518 2.873 1.00 93.42 ? 147 HIS A CB 1 ATOM 1156 C CG . HIS A 1 152 ? 223.424 116.186 1.612 1.00 99.85 ? 147 HIS A CG 1 ATOM 1157 N ND1 . HIS A 1 152 ? 224.638 115.914 1.019 1.00 102.68 ? 147 HIS A ND1 1 ATOM 1158 C CD2 . HIS A 1 152 ? 222.824 117.115 0.830 1.00 92.50 ? 147 HIS A CD2 1 ATOM 1159 C CE1 . HIS A 1 152 ? 224.767 116.646 -0.073 1.00 92.64 ? 147 HIS A CE1 1 ATOM 1160 N NE2 . HIS A 1 152 ? 223.680 117.383 -0.211 1.00 95.76 ? 147 HIS A NE2 1 ATOM 1161 N N . ARG A 1 153 ? 223.214 112.421 4.773 1.00 78.60 ? 148 ARG A N 1 ATOM 1162 C CA . ARG A 1 153 ? 222.911 111.901 6.104 1.00 77.68 ? 148 ARG A CA 1 ATOM 1163 C C . ARG A 1 153 ? 223.980 110.965 6.661 1.00 67.04 ? 148 ARG A C 1 ATOM 1164 O O . ARG A 1 153 ? 224.653 110.250 5.919 1.00 66.58 ? 148 ARG A O 1 ATOM 1165 C CB . ARG A 1 153 ? 221.569 111.170 6.093 1.00 71.92 ? 148 ARG A CB 1 ATOM 1166 C CG . ARG A 1 153 ? 220.367 112.067 5.872 1.00 74.30 ? 148 ARG A CG 1 ATOM 1167 C CD . ARG A 1 153 ? 219.098 111.367 6.321 1.00 73.82 ? 148 ARG A CD 1 ATOM 1168 N NE . ARG A 1 153 ? 217.896 112.095 5.935 1.00 69.21 ? 148 ARG A NE 1 ATOM 1169 C CZ . ARG A 1 153 ? 216.666 111.738 6.289 1.00 75.53 ? 148 ARG A CZ 1 ATOM 1170 N NH1 . ARG A 1 153 ? 216.477 110.667 7.048 1.00 82.20 ? 148 ARG A NH1 1 ATOM 1171 N NH2 . ARG A 1 153 ? 215.625 112.455 5.891 1.00 83.26 ? 148 ARG A NH2 1 ATOM 1172 N N . ALA A 1 154 ? 224.114 110.976 7.983 1.00 68.69 ? 149 ALA A N 1 ATOM 1173 C CA . ALA A 1 154 ? 225.019 110.074 8.683 1.00 67.21 ? 149 ALA A CA 1 ATOM 1174 C C . ALA A 1 154 ? 224.349 108.723 8.895 1.00 64.79 ? 149 ALA A C 1 ATOM 1175 O O . ALA A 1 154 ? 223.134 108.647 9.073 1.00 59.13 ? 149 ALA A O 1 ATOM 1176 C CB . ALA A 1 154 ? 225.443 110.674 10.011 1.00 70.05 ? 149 ALA A CB 1 ATOM 1177 N N . TRP A 1 155 ? 225.144 107.658 8.884 1.00 75.35 ? 150 TRP A N 1 ATOM 1178 C CA . TRP A 1 155 ? 224.603 106.306 8.962 1.00 68.33 ? 150 TRP A CA 1 ATOM 1179 C C . TRP A 1 155 ? 225.615 105.334 9.560 1.00 63.60 ? 150 TRP A C 1 ATOM 1180 O O . TRP A 1 155 ? 226.802 105.391 9.237 1.00 70.19 ? 150 TRP A O 1 ATOM 1181 C CB . TRP A 1 155 ? 224.170 105.845 7.570 1.00 65.05 ? 150 TRP A CB 1 ATOM 1182 C CG . TRP A 1 155 ? 223.771 104.410 7.476 1.00 61.84 ? 150 TRP A CG 1 ATOM 1183 C CD1 . TRP A 1 155 ? 222.526 103.889 7.671 1.00 61.41 ? 150 TRP A CD1 1 ATOM 1184 C CD2 . TRP A 1 155 ? 224.618 103.306 7.138 1.00 58.76 ? 150 TRP A CD2 1 ATOM 1185 N NE1 . TRP A 1 155 ? 222.547 102.529 7.486 1.00 61.49 ? 150 TRP A NE1 1 ATOM 1186 C CE2 . TRP A 1 155 ? 223.820 102.147 7.156 1.00 54.43 ? 150 TRP A CE2 1 ATOM 1187 C CE3 . TRP A 1 155 ? 225.975 103.187 6.824 1.00 56.86 ? 150 TRP A CE3 1 ATOM 1188 C CZ2 . TRP A 1 155 ? 224.335 100.883 6.876 1.00 51.98 ? 150 TRP A CZ2 1 ATOM 1189 C CZ3 . TRP A 1 155 ? 226.484 101.934 6.547 1.00 53.78 ? 150 TRP A CZ3 1 ATOM 1190 C CH2 . TRP A 1 155 ? 225.666 100.798 6.574 1.00 55.96 ? 150 TRP A CH2 1 ATOM 1191 N N . ASN A 1 156 ? 225.132 104.451 10.432 1.00 67.07 ? 151 ASN A N 1 ATOM 1192 C CA . ASN A 1 156 ? 225.976 103.477 11.126 1.00 67.15 ? 151 ASN A CA 1 ATOM 1193 C C . ASN A 1 156 ? 227.113 104.153 11.880 1.00 68.76 ? 151 ASN A C 1 ATOM 1194 O O . ASN A 1 156 ? 228.267 103.737 11.787 1.00 68.68 ? 151 ASN A O 1 ATOM 1195 C CB . ASN A 1 156 ? 226.546 102.455 10.140 1.00 62.72 ? 151 ASN A CB 1 ATOM 1196 C CG . ASN A 1 156 ? 227.053 101.206 10.826 1.00 58.73 ? 151 ASN A CG 1 ATOM 1197 O OD1 . ASN A 1 156 ? 226.571 100.833 11.894 1.00 63.48 ? 151 ASN A OD1 1 ATOM 1198 N ND2 . ASN A 1 156 ? 228.033 100.551 10.214 1.00 63.72 ? 151 ASN A ND2 1 ATOM 1199 N N . SER A 1 157 ? 226.779 105.197 12.630 1.00 62.89 ? 152 SER A N 1 ATOM 1200 C CA . SER A 1 157 ? 227.790 106.022 13.277 1.00 63.49 ? 152 SER A CA 1 ATOM 1201 C C . SER A 1 157 ? 228.241 105.476 14.629 1.00 69.38 ? 152 SER A C 1 ATOM 1202 O O . SER A 1 157 ? 229.307 105.841 15.123 1.00 74.53 ? 152 SER A O 1 ATOM 1203 C CB . SER A 1 157 ? 227.265 107.447 13.453 1.00 66.02 ? 152 SER A CB 1 ATOM 1204 O OG . SER A 1 157 ? 226.890 108.006 12.207 1.00 77.90 ? 152 SER A OG 1 ATOM 1205 N N . PHE A 1 158 ? 227.437 104.603 15.225 1.00 64.66 ? 153 PHE A N 1 ATOM 1206 C CA . PHE A 1 158 ? 227.698 104.160 16.590 1.00 58.52 ? 153 PHE A CA 1 ATOM 1207 C C . PHE A 1 158 ? 228.228 102.735 16.695 1.00 58.74 ? 153 PHE A C 1 ATOM 1208 O O . PHE A 1 158 ? 227.853 101.854 15.921 1.00 61.52 ? 153 PHE A O 1 ATOM 1209 C CB . PHE A 1 158 ? 226.430 104.288 17.432 1.00 55.25 ? 153 PHE A CB 1 ATOM 1210 C CG . PHE A 1 158 ? 226.013 105.704 17.685 1.00 59.37 ? 153 PHE A CG 1 ATOM 1211 C CD1 . PHE A 1 158 ? 226.565 106.423 18.731 1.00 62.91 ? 153 PHE A CD1 1 ATOM 1212 C CD2 . PHE A 1 158 ? 225.072 106.318 16.876 1.00 61.60 ? 153 PHE A CD2 1 ATOM 1213 C CE1 . PHE A 1 158 ? 226.184 107.728 18.968 1.00 62.67 ? 153 PHE A CE1 1 ATOM 1214 C CE2 . PHE A 1 158 ? 224.686 107.622 17.107 1.00 57.82 ? 153 PHE A CE2 1 ATOM 1215 C CZ . PHE A 1 158 ? 225.243 108.329 18.154 1.00 63.23 ? 153 PHE A CZ 1 ATOM 1216 N N . LEU A 1 159 ? 229.102 102.528 17.674 1.00 67.64 ? 154 LEU A N 1 ATOM 1217 C CA . LEU A 1 159 ? 229.621 101.207 18.004 1.00 64.37 ? 154 LEU A CA 1 ATOM 1218 C C . LEU A 1 159 ? 229.400 100.903 19.480 1.00 63.37 ? 154 LEU A C 1 ATOM 1219 O O . LEU A 1 159 ? 229.680 101.737 20.339 1.00 65.33 ? 154 LEU A O 1 ATOM 1220 C CB . LEU A 1 159 ? 231.112 101.110 17.673 1.00 65.48 ? 154 LEU A CB 1 ATOM 1221 C CG . LEU A 1 159 ? 231.502 100.499 16.327 1.00 69.63 ? 154 LEU A CG 1 ATOM 1222 C CD1 . LEU A 1 159 ? 233.008 100.574 16.131 1.00 73.68 ? 154 LEU A CD1 1 ATOM 1223 C CD2 . LEU A 1 159 ? 231.019 99.059 16.239 1.00 66.52 ? 154 LEU A CD2 1 ATOM 1224 N N . VAL A 1 160 ? 228.890 99.711 19.771 1.00 58.87 ? 155 VAL A N 1 ATOM 1225 C CA . VAL A 1 160 ? 228.780 99.250 21.150 1.00 53.35 ? 155 VAL A CA 1 ATOM 1226 C C . VAL A 1 160 ? 230.180 98.980 21.692 1.00 65.02 ? 155 VAL A C 1 ATOM 1227 O O . VAL A 1 160 ? 231.017 98.401 20.998 1.00 70.12 ? 155 VAL A O 1 ATOM 1228 C CB . VAL A 1 160 ? 227.917 97.978 21.264 1.00 58.39 ? 155 VAL A CB 1 ATOM 1229 C CG1 . VAL A 1 160 ? 227.887 97.471 22.699 1.00 60.29 ? 155 VAL A CG1 1 ATOM 1230 C CG2 . VAL A 1 160 ? 226.507 98.245 20.764 1.00 51.23 ? 155 VAL A CG2 1 ATOM 1231 N N . GLU A 1 161 ? 230.433 99.403 22.927 1.00 78.40 ? 156 GLU A N 1 ATOM 1232 C CA . GLU A 1 161 ? 231.750 99.254 23.537 1.00 80.40 ? 156 GLU A CA 1 ATOM 1233 C C . GLU A 1 161 ? 232.095 97.791 23.807 1.00 90.46 ? 156 GLU A C 1 ATOM 1234 O O . GLU A 1 161 ? 231.379 96.885 23.378 1.00 94.79 ? 156 GLU A O 1 ATOM 1235 C CB . GLU A 1 161 ? 231.823 100.057 24.834 1.00 83.10 ? 156 GLU A CB 1 ATOM 1236 C CG . GLU A 1 161 ? 231.478 101.525 24.662 1.00 89.98 ? 156 GLU A CG 1 ATOM 1237 C CD . GLU A 1 161 ? 231.498 102.284 25.973 1.00 98.98 ? 156 GLU A CD 1 ATOM 1238 O OE1 . GLU A 1 161 ? 231.551 103.532 25.939 1.00 92.80 ? 156 GLU A OE1 1 ATOM 1239 O OE2 . GLU A 1 161 ? 231.459 101.631 27.037 1.00 99.95 ? 156 GLU A OE2 1 ATOM 1240 N N . ASP A 1 162 ? 233.199 97.570 24.515 1.00 95.60 ? 157 ASP A N 1 ATOM 1241 C CA . ASP A 1 162 ? 233.673 96.220 24.798 1.00 98.94 ? 157 ASP A CA 1 ATOM 1242 C C . ASP A 1 162 ? 232.601 95.398 25.508 1.00 103.09 ? 157 ASP A C 1 ATOM 1243 O O . ASP A 1 162 ? 232.068 94.439 24.949 1.00 96.81 ? 157 ASP A O 1 ATOM 1244 C CB . ASP A 1 162 ? 234.947 96.270 25.641 1.00 94.51 ? 157 ASP A CB 1 ATOM 1245 C CG . ASP A 1 162 ? 235.782 95.011 25.513 1.00 106.75 ? 157 ASP A CG 1 ATOM 1246 O OD1 . ASP A 1 162 ? 237.025 95.124 25.520 1.00 110.11 ? 157 ASP A OD1 1 ATOM 1247 O OD2 . ASP A 1 162 ? 235.201 93.910 25.401 1.00 108.45 ? 157 ASP A OD2 1 ATOM 1248 N N . HIS A 1 163 ? 232.284 95.783 26.738 1.00 88.18 ? 158 HIS A N 1 ATOM 1249 C CA . HIS A 1 163 ? 231.240 95.112 27.499 1.00 87.88 ? 158 HIS A CA 1 ATOM 1250 C C . HIS A 1 163 ? 230.040 96.039 27.643 1.00 87.83 ? 158 HIS A C 1 ATOM 1251 O O . HIS A 1 163 ? 229.457 96.162 28.721 1.00 78.73 ? 158 HIS A O 1 ATOM 1252 C CB . HIS A 1 163 ? 231.763 94.682 28.870 1.00 92.71 ? 158 HIS A CB 1 ATOM 1253 C CG . HIS A 1 163 ? 233.071 93.955 28.814 1.00 100.70 ? 158 HIS A CG 1 ATOM 1254 N ND1 . HIS A 1 163 ? 233.166 92.612 28.520 1.00 93.81 ? 158 HIS A ND1 1 ATOM 1255 C CD2 . HIS A 1 163 ? 234.340 94.388 29.010 1.00 97.55 ? 158 HIS A CD2 1 ATOM 1256 C CE1 . HIS A 1 163 ? 234.436 92.248 28.539 1.00 95.73 ? 158 HIS A CE1 1 ATOM 1257 N NE2 . HIS A 1 163 ? 235.169 93.307 28.834 1.00 100.65 ? 158 HIS A NE2 1 ATOM 1258 N N . GLY A 1 164 ? 229.680 96.690 26.541 1.00 89.72 ? 159 GLY A N 1 ATOM 1259 C CA . GLY A 1 164 ? 228.619 97.680 26.541 1.00 85.89 ? 159 GLY A CA 1 ATOM 1260 C C . GLY A 1 164 ? 227.222 97.100 26.455 1.00 86.20 ? 159 GLY A C 1 ATOM 1261 O O . GLY A 1 164 ? 226.272 97.684 26.974 1.00 87.88 ? 159 GLY A O 1 ATOM 1262 N N . PHE A 1 165 ? 227.085 95.953 25.797 1.00 83.98 ? 160 PHE A N 1 ATOM 1263 C CA . PHE A 1 165 ? 225.775 95.326 25.675 1.00 79.28 ? 160 PHE A CA 1 ATOM 1264 C C . PHE A 1 165 ? 225.645 94.097 26.558 1.00 79.14 ? 160 PHE A C 1 ATOM 1265 O O . PHE A 1 165 ? 226.530 93.244 26.607 1.00 79.19 ? 160 PHE A O 1 ATOM 1266 C CB . PHE A 1 165 ? 225.476 94.943 24.225 1.00 71.46 ? 160 PHE A CB 1 ATOM 1267 C CG . PHE A 1 165 ? 224.106 94.352 24.030 1.00 73.72 ? 160 PHE A CG 1 ATOM 1268 C CD1 . PHE A 1 165 ? 222.978 95.158 24.070 1.00 72.12 ? 160 PHE A CD1 1 ATOM 1269 C CD2 . PHE A 1 165 ? 223.944 92.992 23.815 1.00 70.33 ? 160 PHE A CD2 1 ATOM 1270 C CE1 . PHE A 1 165 ? 221.713 94.619 23.896 1.00 69.44 ? 160 PHE A CE1 1 ATOM 1271 C CE2 . PHE A 1 165 ? 222.682 92.448 23.639 1.00 69.15 ? 160 PHE A CE2 1 ATOM 1272 C CZ . PHE A 1 165 ? 221.565 93.264 23.679 1.00 69.28 ? 160 PHE A CZ 1 ATOM 1273 N N . GLY A 1 166 ? 224.520 94.023 27.254 1.00 95.91 ? 161 GLY A N 1 ATOM 1274 C CA . GLY A 1 166 ? 224.191 92.887 28.083 1.00 97.63 ? 161 GLY A CA 1 ATOM 1275 C C . GLY A 1 166 ? 222.686 92.783 28.116 1.00 100.88 ? 161 GLY A C 1 ATOM 1276 O O . GLY A 1 166 ? 221.982 93.788 27.993 1.00 107.04 ? 161 GLY A O 1 ATOM 1277 N N . VAL A 1 167 ? 222.192 91.563 28.264 1.00 109.24 ? 162 VAL A N 1 ATOM 1278 C CA . VAL A 1 167 ? 220.760 91.321 28.287 1.00 113.98 ? 162 VAL A CA 1 ATOM 1279 C C . VAL A 1 167 ? 220.290 91.298 29.736 1.00 111.53 ? 162 VAL A C 1 ATOM 1280 O O . VAL A 1 167 ? 219.102 91.448 30.028 1.00 109.93 ? 162 VAL A O 1 ATOM 1281 C CB . VAL A 1 167 ? 220.414 90.002 27.581 1.00 113.94 ? 162 VAL A CB 1 ATOM 1282 C CG1 . VAL A 1 167 ? 221.054 88.842 28.308 1.00 114.25 ? 162 VAL A CG1 1 ATOM 1283 C CG2 . VAL A 1 167 ? 218.906 89.826 27.451 1.00 109.13 ? 162 VAL A CG2 1 ATOM 1284 N N . PHE A 1 168 ? 221.252 91.160 30.644 1.00 127.48 ? 163 PHE A N 1 ATOM 1285 C CA . PHE A 1 168 ? 220.967 90.981 32.063 1.00 119.98 ? 163 PHE A CA 1 ATOM 1286 C C . PHE A 1 168 ? 220.764 92.307 32.781 1.00 126.65 ? 163 PHE A C 1 ATOM 1287 O O . PHE A 1 168 ? 219.856 92.448 33.598 1.00 133.12 ? 163 PHE A O 1 ATOM 1288 C CB . PHE A 1 168 ? 222.092 90.176 32.708 1.00 126.06 ? 163 PHE A CB 1 ATOM 1289 C CG . PHE A 1 168 ? 222.182 88.768 32.192 1.00 132.76 ? 163 PHE A CG 1 ATOM 1290 C CD1 . PHE A 1 168 ? 221.050 87.974 32.130 1.00 132.17 ? 163 PHE A CD1 1 ATOM 1291 C CD2 . PHE A 1 168 ? 223.388 88.247 31.745 1.00 141.49 ? 163 PHE A CD2 1 ATOM 1292 C CE1 . PHE A 1 168 ? 221.115 86.684 31.651 1.00 130.60 ? 163 PHE A CE1 1 ATOM 1293 C CE2 . PHE A 1 168 ? 223.463 86.955 31.261 1.00 138.76 ? 163 PHE A CE2 1 ATOM 1294 C CZ . PHE A 1 168 ? 222.319 86.170 31.212 1.00 132.34 ? 163 PHE A CZ 1 ATOM 1295 N N . HIS A 1 169 ? 221.628 93.268 32.492 1.00 106.88 ? 164 HIS A N 1 ATOM 1296 C CA . HIS A 1 169 ? 221.379 94.645 32.888 1.00 105.92 ? 164 HIS A CA 1 ATOM 1297 C C . HIS A 1 169 ? 221.152 95.450 31.620 1.00 97.64 ? 164 HIS A C 1 ATOM 1298 O O . HIS A 1 169 ? 222.083 95.676 30.847 1.00 102.07 ? 164 HIS A O 1 ATOM 1299 C CB . HIS A 1 169 ? 222.540 95.216 33.702 1.00 112.00 ? 164 HIS A CB 1 ATOM 1300 C CG . HIS A 1 169 ? 222.304 96.610 34.195 1.00 110.20 ? 164 HIS A CG 1 ATOM 1301 N ND1 . HIS A 1 169 ? 223.332 97.494 34.445 1.00 104.72 ? 164 HIS A ND1 1 ATOM 1302 C CD2 . HIS A 1 169 ? 221.160 97.272 34.490 1.00 105.29 ? 164 HIS A CD2 1 ATOM 1303 C CE1 . HIS A 1 169 ? 222.831 98.641 34.867 1.00 107.47 ? 164 HIS A CE1 1 ATOM 1304 N NE2 . HIS A 1 169 ? 221.515 98.533 34.904 1.00 105.74 ? 164 HIS A NE2 1 ATOM 1305 N N . THR A 1 170 ? 219.912 95.876 31.404 1.00 105.01 ? 165 THR A N 1 ATOM 1306 C CA . THR A 1 170 ? 219.545 96.518 30.149 1.00 107.15 ? 165 THR A CA 1 ATOM 1307 C C . THR A 1 170 ? 220.071 97.945 30.061 1.00 105.84 ? 165 THR A C 1 ATOM 1308 O O . THR A 1 170 ? 219.307 98.898 29.922 1.00 102.32 ? 165 THR A O 1 ATOM 1309 C CB . THR A 1 170 ? 218.021 96.524 29.942 1.00 113.50 ? 165 THR A CB 1 ATOM 1310 O OG1 . THR A 1 170 ? 217.407 97.429 30.868 1.00 120.12 ? 165 THR A OG1 1 ATOM 1311 C CG2 . THR A 1 170 ? 217.462 95.121 30.138 1.00 107.61 ? 165 THR A CG2 1 ATOM 1312 N N . SER A 1 171 ? 221.388 98.076 30.167 1.00 116.45 ? 166 SER A N 1 ATOM 1313 C CA . SER A 1 171 ? 222.086 99.276 29.734 1.00 104.16 ? 166 SER A CA 1 ATOM 1314 C C . SER A 1 171 ? 222.798 98.946 28.426 1.00 106.56 ? 166 SER A C 1 ATOM 1315 O O . SER A 1 171 ? 223.202 97.803 28.205 1.00 109.53 ? 166 SER A O 1 ATOM 1316 C CB . SER A 1 171 ? 223.083 99.762 30.791 1.00 108.69 ? 166 SER A CB 1 ATOM 1317 O OG . SER A 1 171 ? 222.439 100.504 31.813 1.00 122.50 ? 166 SER A OG 1 ATOM 1318 N N . VAL A 1 172 ? 222.922 99.938 27.551 1.00 79.64 ? 167 VAL A N 1 ATOM 1319 C CA . VAL A 1 172 ? 223.657 99.781 26.299 1.00 71.73 ? 167 VAL A CA 1 ATOM 1320 C C . VAL A 1 172 ? 224.606 100.960 26.113 1.00 75.46 ? 167 VAL A C 1 ATOM 1321 O O . VAL A 1 172 ? 224.172 102.081 25.848 1.00 79.31 ? 167 VAL A O 1 ATOM 1322 C CB . VAL A 1 172 ? 222.717 99.686 25.083 1.00 64.11 ? 167 VAL A CB 1 ATOM 1323 C CG1 . VAL A 1 172 ? 223.525 99.544 23.800 1.00 67.38 ? 167 VAL A CG1 1 ATOM 1324 C CG2 . VAL A 1 172 ? 221.759 98.521 25.243 1.00 73.73 ? 167 VAL A CG2 1 ATOM 1325 N N . TRP A 1 173 ? 225.901 100.707 26.260 1.00 70.61 ? 168 TRP A N 1 ATOM 1326 C CA . TRP A 1 173 ? 226.891 101.773 26.179 1.00 69.56 ? 168 TRP A CA 1 ATOM 1327 C C . TRP A 1 173 ? 227.496 101.859 24.779 1.00 69.16 ? 168 TRP A C 1 ATOM 1328 O O . TRP A 1 173 ? 228.055 100.887 24.269 1.00 61.56 ? 168 TRP A O 1 ATOM 1329 C CB . TRP A 1 173 ? 227.976 101.561 27.239 1.00 72.69 ? 168 TRP A CB 1 ATOM 1330 C CG . TRP A 1 173 ? 227.425 101.599 28.643 1.00 77.20 ? 168 TRP A CG 1 ATOM 1331 C CD1 . TRP A 1 173 ? 226.761 100.596 29.291 1.00 74.79 ? 168 TRP A CD1 1 ATOM 1332 C CD2 . TRP A 1 173 ? 227.482 102.700 29.561 1.00 74.18 ? 168 TRP A CD2 1 ATOM 1333 N NE1 . TRP A 1 173 ? 226.404 101.003 30.554 1.00 76.69 ? 168 TRP A NE1 1 ATOM 1334 C CE2 . TRP A 1 173 ? 226.835 102.290 30.745 1.00 75.67 ? 168 TRP A CE2 1 ATOM 1335 C CE3 . TRP A 1 173 ? 228.019 103.989 29.498 1.00 70.12 ? 168 TRP A CE3 1 ATOM 1336 C CZ2 . TRP A 1 173 ? 226.710 103.123 31.855 1.00 74.32 ? 168 TRP A CZ2 1 ATOM 1337 C CZ3 . TRP A 1 173 ? 227.894 104.815 30.602 1.00 76.07 ? 168 TRP A CZ3 1 ATOM 1338 C CH2 . TRP A 1 173 ? 227.245 104.379 31.764 1.00 76.72 ? 168 TRP A CH2 1 ATOM 1339 N N . LEU A 1 174 ? 227.367 103.028 24.158 1.00 68.51 ? 169 LEU A N 1 ATOM 1340 C CA . LEU A 1 174 ? 227.821 103.207 22.784 1.00 64.79 ? 169 LEU A CA 1 ATOM 1341 C C . LEU A 1 174 ? 228.821 104.348 22.657 1.00 69.38 ? 169 LEU A C 1 ATOM 1342 O O . LEU A 1 174 ? 228.944 105.188 23.548 1.00 68.83 ? 169 LEU A O 1 ATOM 1343 C CB . LEU A 1 174 ? 226.633 103.462 21.853 1.00 58.70 ? 169 LEU A CB 1 ATOM 1344 C CG . LEU A 1 174 ? 225.424 102.534 21.975 1.00 58.23 ? 169 LEU A CG 1 ATOM 1345 C CD1 . LEU A 1 174 ? 224.333 103.197 22.799 1.00 64.45 ? 169 LEU A CD1 1 ATOM 1346 C CD2 . LEU A 1 174 ? 224.900 102.139 20.604 1.00 51.19 ? 169 LEU A CD2 1 ATOM 1347 N N . LYS A 1 175 ? 229.530 104.365 21.534 1.00 73.08 ? 170 LYS A N 1 ATOM 1348 C CA . LYS A 1 175 ? 230.483 105.421 21.225 1.00 76.54 ? 170 LYS A CA 1 ATOM 1349 C C . LYS A 1 175 ? 230.341 105.812 19.759 1.00 77.18 ? 170 LYS A C 1 ATOM 1350 O O . LYS A 1 175 ? 229.869 105.019 18.946 1.00 70.77 ? 170 LYS A O 1 ATOM 1351 C CB . LYS A 1 175 ? 231.915 104.968 21.521 1.00 79.08 ? 170 LYS A CB 1 ATOM 1352 C CG . LYS A 1 175 ? 232.399 103.839 20.619 1.00 86.76 ? 170 LYS A CG 1 ATOM 1353 C CD . LYS A 1 175 ? 233.772 103.326 21.027 1.00 93.40 ? 170 LYS A CD 1 ATOM 1354 C CE . LYS A 1 175 ? 234.841 104.394 20.869 1.00 102.90 ? 170 LYS A CE 1 ATOM 1355 N NZ . LYS A 1 175 ? 236.193 103.864 21.199 1.00 101.69 ? 170 LYS A NZ 1 ATOM 1356 N N . VAL A 1 176 ? 230.736 107.035 19.420 1.00 75.45 ? 171 VAL A N 1 ATOM 1357 C CA . VAL A 1 176 ? 230.752 107.455 18.024 1.00 76.14 ? 171 VAL A CA 1 ATOM 1358 C C . VAL A 1 176 ? 231.993 106.892 17.337 1.00 74.83 ? 171 VAL A C 1 ATOM 1359 O O . VAL A 1 176 ? 233.103 107.008 17.857 1.00 80.71 ? 171 VAL A O 1 ATOM 1360 C CB . VAL A 1 176 ? 230.724 108.991 17.881 1.00 80.09 ? 171 VAL A CB 1 ATOM 1361 C CG1 . VAL A 1 176 ? 230.953 109.396 16.432 1.00 78.35 ? 171 VAL A CG1 1 ATOM 1362 C CG2 . VAL A 1 176 ? 229.402 109.552 18.386 1.00 73.17 ? 171 VAL A CG2 1 ATOM 1363 N N . ARG A 1 177 ? 231.792 106.272 16.177 1.00 74.90 ? 172 ARG A N 1 ATOM 1364 C CA . ARG A 1 177 ? 232.870 105.632 15.426 1.00 78.11 ? 172 ARG A CA 1 ATOM 1365 C C . ARG A 1 177 ? 234.021 106.567 15.084 1.00 94.44 ? 172 ARG A C 1 ATOM 1366 O O . ARG A 1 177 ? 233.838 107.777 14.943 1.00 92.21 ? 172 ARG A O 1 ATOM 1367 C CB . ARG A 1 177 ? 232.325 105.035 14.129 1.00 83.86 ? 172 ARG A CB 1 ATOM 1368 C CG . ARG A 1 177 ? 231.664 103.688 14.281 1.00 77.50 ? 172 ARG A CG 1 ATOM 1369 C CD . ARG A 1 177 ? 231.239 103.157 12.928 1.00 73.50 ? 172 ARG A CD 1 ATOM 1370 N NE . ARG A 1 177 ? 231.070 101.709 12.943 1.00 76.67 ? 172 ARG A NE 1 ATOM 1371 C CZ . ARG A 1 177 ? 232.057 100.845 12.735 1.00 77.91 ? 172 ARG A CZ 1 ATOM 1372 N NH1 . ARG A 1 177 ? 233.285 101.286 12.494 1.00 76.06 ? 172 ARG A NH1 1 ATOM 1373 N NH2 . ARG A 1 177 ? 231.818 99.541 12.768 1.00 80.24 ? 172 ARG A NH2 1 ATOM 1374 N N . GLU A 1 178 ? 235.211 105.992 14.945 1.00 104.02 ? 173 GLU A N 1 ATOM 1375 C CA . GLU A 1 178 ? 236.363 106.740 14.468 1.00 101.44 ? 173 GLU A CA 1 ATOM 1376 C C . GLU A 1 178 ? 236.417 106.668 12.947 1.00 97.40 ? 173 GLU A C 1 ATOM 1377 O O . GLU A 1 178 ? 236.831 107.618 12.286 1.00 100.69 ? 173 GLU A O 1 ATOM 1378 C CB . GLU A 1 178 ? 237.664 106.208 15.085 1.00 106.33 ? 173 GLU A CB 1 ATOM 1379 C CG . GLU A 1 178 ? 237.980 104.741 14.789 1.00 119.16 ? 173 GLU A CG 1 ATOM 1380 C CD . GLU A 1 178 ? 237.389 103.783 15.812 1.00 116.51 ? 173 GLU A CD 1 ATOM 1381 O OE1 . GLU A 1 178 ? 236.155 103.589 15.811 1.00 99.53 ? 173 GLU A OE1 1 ATOM 1382 O OE2 . GLU A 1 178 ? 238.163 103.222 16.617 1.00 120.41 ? 173 GLU A OE2 1 ATOM 1383 N N . ASP A 1 179 ? 235.978 105.538 12.399 1.00 103.03 ? 174 ASP A N 1 ATOM 1384 C CA . ASP A 1 179 ? 235.997 105.320 10.957 1.00 103.41 ? 174 ASP A CA 1 ATOM 1385 C C . ASP A 1 179 ? 234.630 104.918 10.418 1.00 99.47 ? 174 ASP A C 1 ATOM 1386 O O . ASP A 1 179 ? 233.852 104.251 11.100 1.00 100.59 ? 174 ASP A O 1 ATOM 1387 C CB . ASP A 1 179 ? 237.024 104.247 10.587 1.00 104.46 ? 174 ASP A CB 1 ATOM 1388 C CG . ASP A 1 179 ? 238.432 104.797 10.480 1.00 115.43 ? 174 ASP A CG 1 ATOM 1389 O OD1 . ASP A 1 179 ? 238.831 105.593 11.355 1.00 108.74 ? 174 ASP A OD1 1 ATOM 1390 O OD2 . ASP A 1 179 ? 239.138 104.436 9.513 1.00 123.90 ? 174 ASP A OD2 1 ATOM 1391 N N . TYR A 1 180 ? 234.350 105.329 9.186 1.00 94.77 ? 175 TYR A N 1 ATOM 1392 C CA . TYR A 1 180 ? 233.135 104.921 8.495 1.00 93.13 ? 175 TYR A CA 1 ATOM 1393 C C . TYR A 1 180 ? 233.258 103.469 8.055 1.00 82.03 ? 175 TYR A C 1 ATOM 1394 O O . TYR A 1 180 ? 234.321 103.041 7.606 1.00 85.29 ? 175 TYR A O 1 ATOM 1395 C CB . TYR A 1 180 ? 232.871 105.825 7.287 1.00 91.06 ? 175 TYR A CB 1 ATOM 1396 C CG . TYR A 1 180 ? 231.637 105.458 6.489 1.00 96.65 ? 175 TYR A CG 1 ATOM 1397 C CD1 . TYR A 1 180 ? 230.377 105.894 6.881 1.00 99.87 ? 175 TYR A CD1 1 ATOM 1398 C CD2 . TYR A 1 180 ? 231.730 104.682 5.340 1.00 88.49 ? 175 TYR A CD2 1 ATOM 1399 C CE1 . TYR A 1 180 ? 229.245 105.567 6.159 1.00 87.06 ? 175 TYR A CE1 1 ATOM 1400 C CE2 . TYR A 1 180 ? 230.602 104.349 4.610 1.00 86.20 ? 175 TYR A CE2 1 ATOM 1401 C CZ . TYR A 1 180 ? 229.362 104.794 5.026 1.00 81.75 ? 175 TYR A CZ 1 ATOM 1402 O OH . TYR A 1 180 ? 228.236 104.469 4.307 1.00 84.87 ? 175 TYR A OH 1 ATOM 1403 N N . SER A 1 181 ? 232.176 102.711 8.189 1.00 68.37 ? 176 SER A N 1 ATOM 1404 C CA . SER A 1 181 ? 232.169 101.331 7.718 1.00 72.48 ? 176 SER A CA 1 ATOM 1405 C C . SER A 1 181 ? 230.760 100.860 7.376 1.00 70.73 ? 176 SER A C 1 ATOM 1406 O O . SER A 1 181 ? 229.772 101.524 7.692 1.00 70.41 ? 176 SER A O 1 ATOM 1407 C CB . SER A 1 181 ? 232.793 100.398 8.757 1.00 65.29 ? 176 SER A CB 1 ATOM 1408 O OG . SER A 1 181 ? 231.858 100.048 9.759 1.00 56.19 ? 176 SER A OG 1 ATOM 1409 N N . LEU A 1 182 ? 230.686 99.704 6.727 1.00 69.46 ? 177 LEU A N 1 ATOM 1410 C CA . LEU A 1 182 ? 229.423 99.139 6.270 1.00 58.11 ? 177 LEU A CA 1 ATOM 1411 C C . LEU A 1 182 ? 228.989 97.977 7.157 1.00 61.34 ? 177 LEU A C 1 ATOM 1412 O O . LEU A 1 182 ? 227.911 97.413 6.977 1.00 64.36 ? 177 LEU A O 1 ATOM 1413 C CB . LEU A 1 182 ? 229.550 98.665 4.819 1.00 63.25 ? 177 LEU A CB 1 ATOM 1414 C CG . LEU A 1 182 ? 229.313 99.641 3.663 1.00 62.72 ? 177 LEU A CG 1 ATOM 1415 C CD1 . LEU A 1 182 ? 229.821 101.034 3.978 1.00 67.02 ? 177 LEU A CD1 1 ATOM 1416 C CD2 . LEU A 1 182 ? 229.980 99.112 2.406 1.00 52.68 ? 177 LEU A CD2 1 ATOM 1417 N N . GLU A 1 183 ? 229.838 97.625 8.114 1.00 67.66 ? 178 GLU A N 1 ATOM 1418 C CA . GLU A 1 183 ? 229.627 96.436 8.927 1.00 63.51 ? 178 GLU A CA 1 ATOM 1419 C C . GLU A 1 183 ? 228.581 96.646 10.016 1.00 65.79 ? 178 GLU A C 1 ATOM 1420 O O . GLU A 1 183 ? 228.592 97.660 10.714 1.00 66.15 ? 178 GLU A O 1 ATOM 1421 C CB . GLU A 1 183 ? 230.951 95.992 9.556 1.00 68.43 ? 178 GLU A CB 1 ATOM 1422 C CG . GLU A 1 183 ? 230.827 94.804 10.495 1.00 78.10 ? 178 GLU A CG 1 ATOM 1423 C CD . GLU A 1 183 ? 232.159 94.377 11.077 1.00 80.29 ? 178 GLU A CD 1 ATOM 1424 O OE1 . GLU A 1 183 ? 232.174 93.853 12.212 1.00 78.19 ? 178 GLU A OE1 1 ATOM 1425 O OE2 . GLU A 1 183 ? 233.191 94.562 10.399 1.00 84.19 ? 178 GLU A OE2 1 ATOM 1426 N N . CYS A 1 184 ? 227.672 95.682 10.146 1.00 66.87 ? 179 CYS A N 1 ATOM 1427 C CA . CYS A 1 184 ? 226.724 95.662 11.255 1.00 62.31 ? 179 CYS A CA 1 ATOM 1428 C C . CYS A 1 184 ? 227.479 95.469 12.563 1.00 61.68 ? 179 CYS A C 1 ATOM 1429 O O . CYS A 1 184 ? 228.425 94.684 12.620 1.00 60.00 ? 179 CYS A O 1 ATOM 1430 C CB . CYS A 1 184 ? 225.691 94.544 11.077 1.00 66.16 ? 179 CYS A CB 1 ATOM 1431 S SG . CYS A 1 184 ? 224.678 94.650 9.583 1.00 67.21 ? 179 CYS A SG 1 ATOM 1432 N N . ASP A 1 185 ? 227.062 96.183 13.605 1.00 56.69 ? 180 ASP A N 1 ATOM 1433 C CA . ASP A 1 185 ? 227.702 96.087 14.912 1.00 57.03 ? 180 ASP A CA 1 ATOM 1434 C C . ASP A 1 185 ? 227.730 94.636 15.389 1.00 60.70 ? 180 ASP A C 1 ATOM 1435 O O . ASP A 1 185 ? 226.685 94.052 15.672 1.00 65.25 ? 180 ASP A O 1 ATOM 1436 C CB . ASP A 1 185 ? 226.976 96.970 15.928 1.00 55.58 ? 180 ASP A CB 1 ATOM 1437 C CG . ASP A 1 185 ? 227.831 97.299 17.140 1.00 65.84 ? 180 ASP A CG 1 ATOM 1438 O OD1 . ASP A 1 185 ? 228.735 96.506 17.479 1.00 65.60 ? 180 ASP A OD1 1 ATOM 1439 O OD2 . ASP A 1 185 ? 227.597 98.358 17.756 1.00 68.03 ? 180 ASP A OD2 1 ATOM 1440 N N . PRO A 1 186 ? 228.934 94.051 15.472 1.00 62.35 ? 181 PRO A N 1 ATOM 1441 C CA . PRO A 1 186 ? 229.095 92.632 15.803 1.00 56.56 ? 181 PRO A CA 1 ATOM 1442 C C . PRO A 1 186 ? 228.868 92.337 17.281 1.00 58.62 ? 181 PRO A C 1 ATOM 1443 O O . PRO A 1 186 ? 228.890 91.175 17.683 1.00 63.79 ? 181 PRO A O 1 ATOM 1444 C CB . PRO A 1 186 ? 230.545 92.351 15.413 1.00 50.22 ? 181 PRO A CB 1 ATOM 1445 C CG . PRO A 1 186 ? 231.231 93.650 15.629 1.00 54.30 ? 181 PRO A CG 1 ATOM 1446 C CD . PRO A 1 186 ? 230.233 94.712 15.252 1.00 58.60 ? 181 PRO A CD 1 ATOM 1447 N N . ALA A 1 187 ? 228.654 93.379 18.074 1.00 54.66 ? 182 ALA A N 1 ATOM 1448 C CA . ALA A 1 187 ? 228.437 93.214 19.505 1.00 56.59 ? 182 ALA A CA 1 ATOM 1449 C C . ALA A 1 187 ? 227.170 92.419 19.788 1.00 62.86 ? 182 ALA A C 1 ATOM 1450 O O . ALA A 1 187 ? 227.175 91.505 20.611 1.00 69.06 ? 182 ALA A O 1 ATOM 1451 C CB . ALA A 1 187 ? 228.369 94.568 20.187 1.00 62.44 ? 182 ALA A CB 1 ATOM 1452 N N . VAL A 1 188 ? 226.091 92.768 19.095 1.00 59.46 ? 183 VAL A N 1 ATOM 1453 C CA . VAL A 1 188 ? 224.782 92.174 19.347 1.00 51.50 ? 183 VAL A CA 1 ATOM 1454 C C . VAL A 1 188 ? 224.474 91.010 18.412 1.00 58.77 ? 183 VAL A C 1 ATOM 1455 O O . VAL A 1 188 ? 223.331 90.561 18.324 1.00 61.74 ? 183 VAL A O 1 ATOM 1456 C CB . VAL A 1 188 ? 223.664 93.218 19.211 1.00 68.43 ? 183 VAL A CB 1 ATOM 1457 C CG1 . VAL A 1 188 ? 223.792 94.276 20.296 1.00 62.70 ? 183 VAL A CG1 1 ATOM 1458 C CG2 . VAL A 1 188 ? 223.698 93.851 17.825 1.00 63.44 ? 183 VAL A CG2 1 ATOM 1459 N N . ILE A 1 189 ? 225.494 90.520 17.716 1.00 62.57 ? 184 ILE A N 1 ATOM 1460 C CA . ILE A 1 189 ? 225.312 89.406 16.796 1.00 54.55 ? 184 ILE A CA 1 ATOM 1461 C C . ILE A 1 189 ? 225.617 88.071 17.461 1.00 54.67 ? 184 ILE A C 1 ATOM 1462 O O . ILE A 1 189 ? 226.676 87.890 18.060 1.00 59.04 ? 184 ILE A O 1 ATOM 1463 C CB . ILE A 1 189 ? 226.198 89.551 15.549 1.00 50.46 ? 184 ILE A CB 1 ATOM 1464 C CG1 . ILE A 1 189 ? 225.800 90.793 14.756 1.00 53.46 ? 184 ILE A CG1 1 ATOM 1465 C CG2 . ILE A 1 189 ? 226.082 88.320 14.674 1.00 47.69 ? 184 ILE A CG2 1 ATOM 1466 C CD1 . ILE A 1 189 ? 226.585 90.969 13.484 1.00 58.07 ? 184 ILE A CD1 1 ATOM 1467 N N . GLY A 1 190 ? 224.675 87.140 17.352 1.00 51.74 ? 185 GLY A N 1 ATOM 1468 C CA . GLY A 1 190 ? 224.869 85.787 17.832 1.00 45.30 ? 185 GLY A CA 1 ATOM 1469 C C . GLY A 1 190 ? 224.593 84.792 16.724 1.00 52.63 ? 185 GLY A C 1 ATOM 1470 O O . GLY A 1 190 ? 223.531 84.822 16.106 1.00 54.13 ? 185 GLY A O 1 ATOM 1471 N N . THR A 1 191 ? 225.555 83.911 16.471 1.00 56.68 ? 186 THR A N 1 ATOM 1472 C CA . THR A 1 191 ? 225.446 82.916 15.410 1.00 44.72 ? 186 THR A CA 1 ATOM 1473 C C . THR A 1 191 ? 225.865 81.558 15.951 1.00 50.05 ? 186 THR A C 1 ATOM 1474 O O . THR A 1 191 ? 226.808 81.483 16.733 1.00 53.44 ? 186 THR A O 1 ATOM 1475 C CB . THR A 1 191 ? 226.325 83.291 14.200 1.00 45.84 ? 186 THR A CB 1 ATOM 1476 O OG1 . THR A 1 191 ? 225.898 84.549 13.665 1.00 50.48 ? 186 THR A OG1 1 ATOM 1477 C CG2 . THR A 1 191 ? 226.227 82.245 13.122 1.00 44.29 ? 186 THR A CG2 1 ATOM 1478 N N . ALA A 1 192 ? 225.175 80.490 15.550 1.00 46.35 ? 187 ALA A N 1 ATOM 1479 C CA . ALA A 1 192 ? 225.505 79.162 16.069 1.00 40.66 ? 187 ALA A CA 1 ATOM 1480 C C . ALA A 1 192 ? 225.014 78.002 15.205 1.00 44.05 ? 187 ALA A C 1 ATOM 1481 O O . ALA A 1 192 ? 224.033 78.127 14.482 1.00 54.28 ? 187 ALA A O 1 ATOM 1482 C CB . ALA A 1 192 ? 224.955 79.009 17.479 1.00 46.38 ? 187 ALA A CB 1 ATOM 1483 N N . VAL A 1 193 ? 225.715 76.872 15.296 1.00 52.75 ? 188 VAL A N 1 ATOM 1484 C CA . VAL A 1 193 ? 225.284 75.614 14.684 1.00 55.21 ? 188 VAL A CA 1 ATOM 1485 C C . VAL A 1 193 ? 225.370 74.467 15.675 1.00 61.96 ? 188 VAL A C 1 ATOM 1486 O O . VAL A 1 193 ? 226.304 74.398 16.474 1.00 58.45 ? 188 VAL A O 1 ATOM 1487 C CB . VAL A 1 193 ? 226.145 75.207 13.465 1.00 58.74 ? 188 VAL A CB 1 ATOM 1488 C CG1 . VAL A 1 193 ? 225.494 74.050 12.708 1.00 57.91 ? 188 VAL A CG1 1 ATOM 1489 C CG2 . VAL A 1 193 ? 226.352 76.358 12.549 1.00 65.77 ? 188 VAL A CG2 1 ATOM 1490 N N . LYS A 1 194 ? 224.401 73.562 15.614 1.00 54.86 ? 189 LYS A N 1 ATOM 1491 C CA . LYS A 1 194 ? 224.560 72.258 16.236 1.00 50.68 ? 189 LYS A CA 1 ATOM 1492 C C . LYS A 1 194 ? 223.882 71.201 15.376 1.00 54.99 ? 189 LYS A C 1 ATOM 1493 O O . LYS A 1 194 ? 222.723 71.358 14.969 1.00 64.27 ? 189 LYS A O 1 ATOM 1494 C CB . LYS A 1 194 ? 224.002 72.243 17.658 1.00 53.33 ? 189 LYS A CB 1 ATOM 1495 C CG . LYS A 1 194 ? 224.394 70.995 18.434 1.00 63.33 ? 189 LYS A CG 1 ATOM 1496 C CD . LYS A 1 194 ? 224.322 71.215 19.934 1.00 67.33 ? 189 LYS A CD 1 ATOM 1497 C CE . LYS A 1 194 ? 222.895 71.413 20.406 1.00 67.83 ? 189 LYS A CE 1 ATOM 1498 N NZ . LYS A 1 194 ? 222.839 71.628 21.877 1.00 68.50 ? 189 LYS A NZ 1 ATOM 1499 N N . GLY A 1 195 ? 224.625 70.137 15.086 1.00 66.73 ? 190 GLY A N 1 ATOM 1500 C CA . GLY A 1 195 ? 224.129 69.054 14.261 1.00 69.82 ? 190 GLY A CA 1 ATOM 1501 C C . GLY A 1 195 ? 223.643 69.532 12.909 1.00 73.21 ? 190 GLY A C 1 ATOM 1502 O O . GLY A 1 195 ? 224.436 69.912 12.047 1.00 70.55 ? 190 GLY A O 1 ATOM 1503 N N . LYS A 1 196 ? 222.327 69.530 12.731 1.00 68.35 ? 191 LYS A N 1 ATOM 1504 C CA . LYS A 1 196 ? 221.740 69.885 11.449 1.00 63.70 ? 191 LYS A CA 1 ATOM 1505 C C . LYS A 1 196 ? 220.924 71.172 11.513 1.00 70.58 ? 191 LYS A C 1 ATOM 1506 O O . LYS A 1 196 ? 220.150 71.460 10.599 1.00 71.53 ? 191 LYS A O 1 ATOM 1507 C CB . LYS A 1 196 ? 220.865 68.740 10.941 1.00 73.60 ? 191 LYS A CB 1 ATOM 1508 C CG . LYS A 1 196 ? 221.567 67.393 10.918 1.00 78.21 ? 191 LYS A CG 1 ATOM 1509 C CD . LYS A 1 196 ? 220.743 66.351 10.179 1.00 98.97 ? 191 LYS A CD 1 ATOM 1510 C CE . LYS A 1 196 ? 221.472 65.019 10.107 1.00 115.00 ? 191 LYS A CE 1 ATOM 1511 N NZ . LYS A 1 196 ? 220.804 64.076 9.171 1.00 111.74 ? 191 LYS A NZ 1 ATOM 1512 N N . GLU A 1 197 ? 221.092 71.947 12.583 1.00 64.52 ? 192 GLU A N 1 ATOM 1513 C CA . GLU A 1 197 ? 220.356 73.205 12.706 1.00 64.66 ? 192 GLU A CA 1 ATOM 1514 C C . GLU A 1 197 ? 221.272 74.377 13.044 1.00 66.01 ? 192 GLU A C 1 ATOM 1515 O O . GLU A 1 197 ? 222.167 74.259 13.881 1.00 64.73 ? 192 GLU A O 1 ATOM 1516 C CB . GLU A 1 197 ? 219.251 73.084 13.760 1.00 64.91 ? 192 GLU A CB 1 ATOM 1517 C CG . GLU A 1 197 ? 218.077 72.205 13.344 1.00 67.95 ? 192 GLU A CG 1 ATOM 1518 C CD . GLU A 1 197 ? 217.196 72.850 12.286 1.00 91.19 ? 192 GLU A CD 1 ATOM 1519 O OE1 . GLU A 1 197 ? 217.327 74.073 12.058 1.00 92.35 ? 192 GLU A OE1 1 ATOM 1520 O OE2 . GLU A 1 197 ? 216.367 72.131 11.685 1.00 86.67 ? 192 GLU A OE2 1 ATOM 1521 N N . ALA A 1 198 ? 221.036 75.511 12.388 1.00 65.43 ? 193 ALA A N 1 ATOM 1522 C CA . ALA A 1 198 ? 221.884 76.685 12.560 1.00 48.75 ? 193 ALA A CA 1 ATOM 1523 C C . ALA A 1 198 ? 221.085 77.983 12.543 1.00 54.06 ? 193 ALA A C 1 ATOM 1524 O O . ALA A 1 198 ? 219.966 78.030 12.032 1.00 61.10 ? 193 ALA A O 1 ATOM 1525 C CB . ALA A 1 198 ? 222.949 76.718 11.484 1.00 48.94 ? 193 ALA A CB 1 ATOM 1526 N N . VAL A 1 199 ? 221.679 79.039 13.093 1.00 45.57 ? 194 VAL A N 1 ATOM 1527 C CA . VAL A 1 199 ? 221.035 80.343 13.144 1.00 45.99 ? 194 VAL A CA 1 ATOM 1528 C C . VAL A 1 199 ? 222.053 81.485 13.077 1.00 46.72 ? 194 VAL A C 1 ATOM 1529 O O . VAL A 1 199 ? 223.114 81.433 13.702 1.00 50.78 ? 194 VAL A O 1 ATOM 1530 C CB . VAL A 1 199 ? 220.174 80.493 14.427 1.00 57.40 ? 194 VAL A CB 1 ATOM 1531 C CG1 . VAL A 1 199 ? 221.028 80.336 15.680 1.00 48.23 ? 194 VAL A CG1 1 ATOM 1532 C CG2 . VAL A 1 199 ? 219.436 81.827 14.439 1.00 53.40 ? 194 VAL A CG2 1 ATOM 1533 N N . HIS A 1 200 ? 221.732 82.498 12.281 1.00 49.35 ? 195 HIS A N 1 ATOM 1534 C CA . HIS A 1 200 ? 222.444 83.768 12.305 1.00 51.50 ? 195 HIS A CA 1 ATOM 1535 C C . HIS A 1 200 ? 221.473 84.806 12.833 1.00 55.35 ? 195 HIS A C 1 ATOM 1536 O O . HIS A 1 200 ? 220.375 84.942 12.304 1.00 59.83 ? 195 HIS A O 1 ATOM 1537 C CB . HIS A 1 200 ? 222.947 84.164 10.915 1.00 52.16 ? 195 HIS A CB 1 ATOM 1538 C CG . HIS A 1 200 ? 223.986 83.244 10.355 1.00 51.02 ? 195 HIS A CG 1 ATOM 1539 N ND1 . HIS A 1 200 ? 223.736 81.917 10.079 1.00 53.42 ? 195 HIS A ND1 1 ATOM 1540 C CD2 . HIS A 1 200 ? 225.277 83.463 10.009 1.00 54.74 ? 195 HIS A CD2 1 ATOM 1541 C CE1 . HIS A 1 200 ? 224.828 81.358 9.589 1.00 51.86 ? 195 HIS A CE1 1 ATOM 1542 N NE2 . HIS A 1 200 ? 225.779 82.274 9.540 1.00 52.28 ? 195 HIS A NE2 1 ATOM 1543 N N . SER A 1 201 ? 221.855 85.541 13.870 1.00 52.91 ? 196 SER A N 1 ATOM 1544 C CA . SER A 1 201 ? 220.887 86.413 14.526 1.00 57.22 ? 196 SER A CA 1 ATOM 1545 C C . SER A 1 201 ? 221.468 87.676 15.145 1.00 55.55 ? 196 SER A C 1 ATOM 1546 O O . SER A 1 201 ? 222.670 87.780 15.381 1.00 57.60 ? 196 SER A O 1 ATOM 1547 C CB . SER A 1 201 ? 220.152 85.632 15.612 1.00 53.99 ? 196 SER A CB 1 ATOM 1548 O OG . SER A 1 201 ? 221.036 85.274 16.661 1.00 54.75 ? 196 SER A OG 1 ATOM 1549 N N . ASP A 1 202 ? 220.584 88.634 15.397 1.00 47.34 ? 197 ASP A N 1 ATOM 1550 C CA . ASP A 1 202 ? 220.897 89.809 16.196 1.00 51.10 ? 197 ASP A CA 1 ATOM 1551 C C . ASP A 1 202 ? 219.583 90.345 16.756 1.00 58.08 ? 197 ASP A C 1 ATOM 1552 O O . ASP A 1 202 ? 218.599 89.612 16.834 1.00 63.30 ? 197 ASP A O 1 ATOM 1553 C CB . ASP A 1 202 ? 221.636 90.869 15.375 1.00 45.97 ? 197 ASP A CB 1 ATOM 1554 C CG . ASP A 1 202 ? 220.784 91.459 14.275 1.00 55.84 ? 197 ASP A CG 1 ATOM 1555 O OD1 . ASP A 1 202 ? 221.022 92.627 13.907 1.00 63.56 ? 197 ASP A OD1 1 ATOM 1556 O OD2 . ASP A 1 202 ? 219.876 90.762 13.779 1.00 65.17 ? 197 ASP A OD2 1 ATOM 1557 N N . LEU A 1 203 ? 219.556 91.614 17.140 1.00 54.22 ? 198 LEU A N 1 ATOM 1558 C CA . LEU A 1 203 ? 218.352 92.179 17.734 1.00 57.06 ? 198 LEU A CA 1 ATOM 1559 C C . LEU A 1 203 ? 217.304 92.527 16.683 1.00 63.75 ? 198 LEU A C 1 ATOM 1560 O O . LEU A 1 203 ? 216.234 93.038 17.011 1.00 72.71 ? 198 LEU A O 1 ATOM 1561 C CB . LEU A 1 203 ? 218.697 93.416 18.559 1.00 58.57 ? 198 LEU A CB 1 ATOM 1562 C CG . LEU A 1 203 ? 219.668 93.144 19.707 1.00 69.67 ? 198 LEU A CG 1 ATOM 1563 C CD1 . LEU A 1 203 ? 219.808 94.370 20.589 1.00 75.95 ? 198 LEU A CD1 1 ATOM 1564 C CD2 . LEU A 1 203 ? 219.213 91.940 20.517 1.00 65.96 ? 198 LEU A CD2 1 ATOM 1565 N N . GLY A 1 204 ? 217.610 92.242 15.422 1.00 49.41 ? 199 GLY A N 1 ATOM 1566 C CA . GLY A 1 204 ? 216.688 92.528 14.340 1.00 50.87 ? 199 GLY A CA 1 ATOM 1567 C C . GLY A 1 204 ? 216.367 91.316 13.487 1.00 56.84 ? 199 GLY A C 1 ATOM 1568 O O . GLY A 1 204 ? 215.243 91.166 13.006 1.00 53.24 ? 199 GLY A O 1 ATOM 1569 N N . TYR A 1 205 ? 217.356 90.448 13.295 1.00 48.80 ? 200 TYR A N 1 ATOM 1570 C CA . TYR A 1 205 ? 217.196 89.293 12.417 1.00 47.18 ? 200 TYR A CA 1 ATOM 1571 C C . TYR A 1 205 ? 217.213 87.974 13.183 1.00 54.46 ? 200 TYR A C 1 ATOM 1572 O O . TYR A 1 205 ? 217.933 87.826 14.169 1.00 59.38 ? 200 TYR A O 1 ATOM 1573 C CB . TYR A 1 205 ? 218.301 89.256 11.355 1.00 54.10 ? 200 TYR A CB 1 ATOM 1574 C CG . TYR A 1 205 ? 218.254 90.349 10.305 1.00 57.93 ? 200 TYR A CG 1 ATOM 1575 C CD1 . TYR A 1 205 ? 217.269 91.329 10.320 1.00 52.89 ? 200 TYR A CD1 1 ATOM 1576 C CD2 . TYR A 1 205 ? 219.198 90.388 9.287 1.00 59.01 ? 200 TYR A CD2 1 ATOM 1577 C CE1 . TYR A 1 205 ? 217.235 92.322 9.358 1.00 59.08 ? 200 TYR A CE1 1 ATOM 1578 C CE2 . TYR A 1 205 ? 219.168 91.373 8.319 1.00 55.69 ? 200 TYR A CE2 1 ATOM 1579 C CZ . TYR A 1 205 ? 218.188 92.338 8.358 1.00 61.78 ? 200 TYR A CZ 1 ATOM 1580 O OH . TYR A 1 205 ? 218.162 93.320 7.392 1.00 58.67 ? 200 TYR A OH 1 ATOM 1581 N N . TRP A 1 206 ? 216.421 87.016 12.713 1.00 49.89 ? 201 TRP A N 1 ATOM 1582 C CA . TRP A 1 206 ? 216.509 85.641 13.190 1.00 54.37 ? 201 TRP A CA 1 ATOM 1583 C C . TRP A 1 206 ? 216.493 84.702 11.986 1.00 53.43 ? 201 TRP A C 1 ATOM 1584 O O . TRP A 1 206 ? 215.433 84.359 11.466 1.00 54.96 ? 201 TRP A O 1 ATOM 1585 C CB . TRP A 1 206 ? 215.369 85.314 14.158 1.00 56.83 ? 201 TRP A CB 1 ATOM 1586 C CG . TRP A 1 206 ? 215.439 83.920 14.710 1.00 53.69 ? 201 TRP A CG 1 ATOM 1587 C CD1 . TRP A 1 206 ? 214.700 82.843 14.314 1.00 57.16 ? 201 TRP A CD1 1 ATOM 1588 C CD2 . TRP A 1 206 ? 216.306 83.450 15.750 1.00 58.15 ? 201 TRP A CD2 1 ATOM 1589 N NE1 . TRP A 1 206 ? 215.048 81.734 15.047 1.00 50.58 ? 201 TRP A NE1 1 ATOM 1590 C CE2 . TRP A 1 206 ? 216.033 82.079 15.934 1.00 56.82 ? 201 TRP A CE2 1 ATOM 1591 C CE3 . TRP A 1 206 ? 217.283 84.055 16.545 1.00 50.51 ? 201 TRP A CE3 1 ATOM 1592 C CZ2 . TRP A 1 206 ? 216.703 81.305 16.879 1.00 48.52 ? 201 TRP A CZ2 1 ATOM 1593 C CZ3 . TRP A 1 206 ? 217.950 83.285 17.479 1.00 48.06 ? 201 TRP A CZ3 1 ATOM 1594 C CH2 . TRP A 1 206 ? 217.654 81.925 17.641 1.00 52.86 ? 201 TRP A CH2 1 ATOM 1595 N N . ILE A 1 207 ? 217.681 84.296 11.548 1.00 53.64 ? 202 ILE A N 1 ATOM 1596 C CA . ILE A 1 207 ? 217.847 83.564 10.295 1.00 50.43 ? 202 ILE A CA 1 ATOM 1597 C C . ILE A 1 207 ? 218.206 82.095 10.512 1.00 51.21 ? 202 ILE A C 1 ATOM 1598 O O . ILE A 1 207 ? 219.353 81.755 10.798 1.00 57.43 ? 202 ILE A O 1 ATOM 1599 C CB . ILE A 1 207 ? 218.927 84.222 9.416 1.00 47.66 ? 202 ILE A CB 1 ATOM 1600 C CG1 . ILE A 1 207 ? 218.620 85.711 9.234 1.00 54.39 ? 202 ILE A CG1 1 ATOM 1601 C CG2 . ILE A 1 207 ? 219.021 83.525 8.074 1.00 36.37 ? 202 ILE A CG2 1 ATOM 1602 C CD1 . ILE A 1 207 ? 219.635 86.454 8.395 1.00 45.95 ? 202 ILE A CD1 1 ATOM 1603 N N . GLU A 1 208 ? 217.204 81.235 10.363 1.00 52.23 ? 203 GLU A N 1 ATOM 1604 C CA . GLU A 1 208 ? 217.341 79.799 10.572 1.00 55.23 ? 203 GLU A CA 1 ATOM 1605 C C . GLU A 1 208 ? 217.699 79.044 9.301 1.00 58.85 ? 203 GLU A C 1 ATOM 1606 O O . GLU A 1 208 ? 217.001 79.144 8.284 1.00 65.85 ? 203 GLU A O 1 ATOM 1607 C CB . GLU A 1 208 ? 216.046 79.211 11.137 1.00 62.85 ? 203 GLU A CB 1 ATOM 1608 C CG . GLU A 1 208 ? 215.636 79.736 12.495 1.00 65.73 ? 203 GLU A CG 1 ATOM 1609 C CD . GLU A 1 208 ? 214.485 78.945 13.090 1.00 70.82 ? 203 GLU A CD 1 ATOM 1610 O OE1 . GLU A 1 208 ? 213.864 79.432 14.056 1.00 70.10 ? 203 GLU A OE1 1 ATOM 1611 O OE2 . GLU A 1 208 ? 214.204 77.834 12.591 1.00 77.05 ? 203 GLU A OE2 1 ATOM 1612 N N . SER A 1 209 ? 218.778 78.272 9.384 1.00 62.34 ? 204 SER A N 1 ATOM 1613 C CA . SER A 1 209 ? 219.183 77.372 8.313 1.00 55.78 ? 204 SER A CA 1 ATOM 1614 C C . SER A 1 209 ? 219.212 75.940 8.828 1.00 61.31 ? 204 SER A C 1 ATOM 1615 O O . SER A 1 209 ? 219.339 75.705 10.031 1.00 68.16 ? 204 SER A O 1 ATOM 1616 C CB . SER A 1 209 ? 220.552 77.765 7.756 1.00 63.81 ? 204 SER A CB 1 ATOM 1617 O OG . SER A 1 209 ? 221.535 77.788 8.777 1.00 65.03 ? 204 SER A OG 1 ATOM 1618 N N . GLU A 1 210 ? 219.092 74.984 7.914 1.00 63.75 ? 205 GLU A N 1 ATOM 1619 C CA . GLU A 1 210 ? 219.039 73.577 8.289 1.00 62.00 ? 205 GLU A CA 1 ATOM 1620 C C . GLU A 1 210 ? 219.801 72.710 7.296 1.00 66.35 ? 205 GLU A C 1 ATOM 1621 O O . GLU A 1 210 ? 220.232 73.183 6.245 1.00 69.84 ? 205 GLU A O 1 ATOM 1622 C CB . GLU A 1 210 ? 217.587 73.107 8.387 1.00 65.21 ? 205 GLU A CB 1 ATOM 1623 C CG . GLU A 1 210 ? 216.817 73.222 7.081 1.00 66.30 ? 205 GLU A CG 1 ATOM 1624 C CD . GLU A 1 210 ? 215.379 72.754 7.202 1.00 76.09 ? 205 GLU A CD 1 ATOM 1625 O OE1 . GLU A 1 210 ? 214.685 72.690 6.163 1.00 62.36 ? 205 GLU A OE1 1 ATOM 1626 O OE2 . GLU A 1 210 ? 214.944 72.452 8.334 1.00 81.37 ? 205 GLU A OE2 1 ATOM 1627 N N . LYS A 1 211 ? 219.959 71.436 7.636 1.00 66.82 ? 206 LYS A N 1 ATOM 1628 C CA . LYS A 1 211 ? 220.677 70.498 6.786 1.00 66.43 ? 206 LYS A CA 1 ATOM 1629 C C . LYS A 1 211 ? 219.757 69.401 6.274 1.00 73.44 ? 206 LYS A C 1 ATOM 1630 O O . LYS A 1 211 ? 219.443 68.459 7.001 1.00 77.02 ? 206 LYS A O 1 ATOM 1631 C CB . LYS A 1 211 ? 221.851 69.875 7.550 1.00 72.87 ? 206 LYS A CB 1 ATOM 1632 C CG . LYS A 1 211 ? 222.583 68.757 6.807 1.00 67.84 ? 206 LYS A CG 1 ATOM 1633 C CD . LYS A 1 211 ? 223.420 69.302 5.662 1.00 70.25 ? 206 LYS A CD 1 ATOM 1634 C CE . LYS A 1 211 ? 224.298 68.223 5.040 1.00 71.89 ? 206 LYS A CE 1 ATOM 1635 N NZ . LYS A 1 211 ? 223.514 67.253 4.226 1.00 82.12 ? 206 LYS A NZ 1 ATOM 1636 N N . ASN A 1 212 ? 219.313 69.525 5.028 1.00 79.00 ? 207 ASN A N 1 ATOM 1637 C CA . ASN A 1 212 ? 218.620 68.421 4.380 1.00 83.74 ? 207 ASN A CA 1 ATOM 1638 C C . ASN A 1 212 ? 219.640 67.615 3.584 1.00 79.89 ? 207 ASN A C 1 ATOM 1639 O O . ASN A 1 212 ? 220.499 66.957 4.169 1.00 77.47 ? 207 ASN A O 1 ATOM 1640 C CB . ASN A 1 212 ? 217.486 68.918 3.483 1.00 81.49 ? 207 ASN A CB 1 ATOM 1641 C CG . ASN A 1 212 ? 216.417 67.864 3.272 1.00 93.41 ? 207 ASN A CG 1 ATOM 1642 O OD1 . ASN A 1 212 ? 216.679 66.674 3.443 1.00 105.14 ? 207 ASN A OD1 1 ATOM 1643 N ND2 . ASN A 1 212 ? 215.206 68.301 2.903 1.00 92.96 ? 207 ASN A ND2 1 ATOM 1644 N N . ASP A 1 213 ? 219.558 67.667 2.259 1.00 82.87 ? 208 ASP A N 1 ATOM 1645 C CA . ASP A 1 213 ? 220.619 67.103 1.432 1.00 84.86 ? 208 ASP A CA 1 ATOM 1646 C C . ASP A 1 213 ? 221.839 68.006 1.523 1.00 81.28 ? 208 ASP A C 1 ATOM 1647 O O . ASP A 1 213 ? 222.957 67.549 1.755 1.00 81.20 ? 208 ASP A O 1 ATOM 1648 C CB . ASP A 1 213 ? 220.174 66.949 -0.023 1.00 86.02 ? 208 ASP A CB 1 ATOM 1649 C CG . ASP A 1 213 ? 219.322 65.717 -0.246 1.00 100.70 ? 208 ASP A CG 1 ATOM 1650 O OD1 . ASP A 1 213 ? 218.091 65.862 -0.397 1.00 99.71 ? 208 ASP A OD1 1 ATOM 1651 O OD2 . ASP A 1 213 ? 219.886 64.602 -0.267 1.00 110.03 ? 208 ASP A OD2 1 ATOM 1652 N N . THR A 1 214 ? 221.605 69.299 1.336 1.00 71.41 ? 209 THR A N 1 ATOM 1653 C CA . THR A 1 214 ? 222.636 70.306 1.516 1.00 73.58 ? 209 THR A CA 1 ATOM 1654 C C . THR A 1 214 ? 222.176 71.276 2.592 1.00 71.39 ? 209 THR A C 1 ATOM 1655 O O . THR A 1 214 ? 221.055 71.173 3.083 1.00 75.58 ? 209 THR A O 1 ATOM 1656 C CB . THR A 1 214 ? 222.924 71.074 0.216 1.00 79.94 ? 209 THR A CB 1 ATOM 1657 O OG1 . THR A 1 214 ? 221.841 71.971 -0.061 1.00 79.17 ? 209 THR A OG1 1 ATOM 1658 C CG2 . THR A 1 214 ? 223.094 70.110 -0.951 1.00 75.15 ? 209 THR A CG2 1 ATOM 1659 N N . TRP A 1 215 ? 223.038 72.212 2.966 1.00 66.29 ? 210 TRP A N 1 ATOM 1660 C CA . TRP A 1 215 ? 222.627 73.264 3.883 1.00 59.30 ? 210 TRP A CA 1 ATOM 1661 C C . TRP A 1 215 ? 221.816 74.300 3.121 1.00 60.85 ? 210 TRP A C 1 ATOM 1662 O O . TRP A 1 215 ? 222.098 74.591 1.959 1.00 64.94 ? 210 TRP A O 1 ATOM 1663 C CB . TRP A 1 215 ? 223.835 73.905 4.564 1.00 54.91 ? 210 TRP A CB 1 ATOM 1664 C CG . TRP A 1 215 ? 224.303 73.131 5.751 1.00 52.26 ? 210 TRP A CG 1 ATOM 1665 C CD1 . TRP A 1 215 ? 225.250 72.152 5.769 1.00 53.02 ? 210 TRP A CD1 1 ATOM 1666 C CD2 . TRP A 1 215 ? 223.834 73.261 7.098 1.00 53.61 ? 210 TRP A CD2 1 ATOM 1667 N NE1 . TRP A 1 215 ? 225.403 71.665 7.044 1.00 50.86 ? 210 TRP A NE1 1 ATOM 1668 C CE2 . TRP A 1 215 ? 224.544 72.330 7.879 1.00 55.42 ? 210 TRP A CE2 1 ATOM 1669 C CE3 . TRP A 1 215 ? 222.882 74.075 7.719 1.00 54.77 ? 210 TRP A CE3 1 ATOM 1670 C CZ2 . TRP A 1 215 ? 224.335 72.193 9.251 1.00 56.83 ? 210 TRP A CZ2 1 ATOM 1671 C CZ3 . TRP A 1 215 ? 222.676 73.938 9.080 1.00 55.67 ? 210 TRP A CZ3 1 ATOM 1672 C CH2 . TRP A 1 215 ? 223.400 73.004 9.831 1.00 57.30 ? 210 TRP A CH2 1 ATOM 1673 N N . ARG A 1 216 ? 220.800 74.846 3.777 1.00 55.27 ? 211 ARG A N 1 ATOM 1674 C CA . ARG A 1 216 ? 219.875 75.756 3.117 1.00 59.54 ? 211 ARG A CA 1 ATOM 1675 C C . ARG A 1 216 ? 219.153 76.643 4.121 1.00 58.60 ? 211 ARG A C 1 ATOM 1676 O O . ARG A 1 216 ? 219.089 76.327 5.308 1.00 55.24 ? 211 ARG A O 1 ATOM 1677 C CB . ARG A 1 216 ? 218.849 74.968 2.304 1.00 61.64 ? 211 ARG A CB 1 ATOM 1678 C CG . ARG A 1 216 ? 217.913 74.154 3.177 1.00 64.81 ? 211 ARG A CG 1 ATOM 1679 C CD . ARG A 1 216 ? 216.951 73.315 2.364 1.00 67.35 ? 211 ARG A CD 1 ATOM 1680 N NE . ARG A 1 216 ? 215.907 72.742 3.208 1.00 69.98 ? 211 ARG A NE 1 ATOM 1681 C CZ . ARG A 1 216 ? 215.061 71.797 2.814 1.00 77.85 ? 211 ARG A CZ 1 ATOM 1682 N NH1 . ARG A 1 216 ? 214.141 71.339 3.652 1.00 81.81 ? 211 ARG A NH1 1 ATOM 1683 N NH2 . ARG A 1 216 ? 215.137 71.306 1.585 1.00 74.47 ? 211 ARG A NH2 1 ATOM 1684 N N . LEU A 1 217 ? 218.604 77.750 3.632 1.00 59.19 ? 212 LEU A N 1 ATOM 1685 C CA . LEU A 1 217 ? 217.776 78.624 4.453 1.00 57.86 ? 212 LEU A CA 1 ATOM 1686 C C . LEU A 1 217 ? 216.484 77.914 4.844 1.00 62.36 ? 212 LEU A C 1 ATOM 1687 O O . LEU A 1 217 ? 215.707 77.506 3.979 1.00 60.62 ? 212 LEU A O 1 ATOM 1688 C CB . LEU A 1 217 ? 217.461 79.921 3.705 1.00 48.34 ? 212 LEU A CB 1 ATOM 1689 C CG . LEU A 1 217 ? 216.517 80.912 4.388 1.00 57.12 ? 212 LEU A CG 1 ATOM 1690 C CD1 . LEU A 1 217 ? 217.130 81.446 5.672 1.00 51.47 ? 212 LEU A CD1 1 ATOM 1691 C CD2 . LEU A 1 217 ? 216.164 82.054 3.444 1.00 57.26 ? 212 LEU A CD2 1 ATOM 1692 N N . LYS A 1 218 ? 216.262 77.756 6.145 1.00 56.84 ? 213 LYS A N 1 ATOM 1693 C CA . LYS A 1 218 ? 215.033 77.140 6.631 1.00 52.72 ? 213 LYS A CA 1 ATOM 1694 C C . LYS A 1 218 ? 213.919 78.176 6.691 1.00 57.87 ? 213 LYS A C 1 ATOM 1695 O O . LYS A 1 218 ? 212.873 78.007 6.063 1.00 56.49 ? 213 LYS A O 1 ATOM 1696 C CB . LYS A 1 218 ? 215.244 76.508 8.007 1.00 51.78 ? 213 LYS A CB 1 ATOM 1697 C CG . LYS A 1 218 ? 214.034 75.752 8.529 1.00 57.89 ? 213 LYS A CG 1 ATOM 1698 C CD . LYS A 1 218 ? 214.237 75.306 9.967 1.00 61.19 ? 213 LYS A CD 1 ATOM 1699 C CE . LYS A 1 218 ? 213.046 74.509 10.468 1.00 69.18 ? 213 LYS A CE 1 ATOM 1700 N NZ . LYS A 1 218 ? 213.197 74.123 11.898 1.00 89.85 ? 213 LYS A NZ 1 ATOM 1701 N N . ARG A 1 219 ? 214.154 79.251 7.440 1.00 56.03 ? 214 ARG A N 1 ATOM 1702 C CA . ARG A 1 219 ? 213.167 80.324 7.575 1.00 53.05 ? 214 ARG A CA 1 ATOM 1703 C C . ARG A 1 219 ? 213.779 81.523 8.279 1.00 55.30 ? 214 ARG A C 1 ATOM 1704 O O . ARG A 1 219 ? 214.686 81.363 9.077 1.00 57.35 ? 214 ARG A O 1 ATOM 1705 C CB . ARG A 1 219 ? 211.935 79.845 8.348 1.00 60.34 ? 214 ARG A CB 1 ATOM 1706 C CG . ARG A 1 219 ? 212.249 79.284 9.727 1.00 65.19 ? 214 ARG A CG 1 ATOM 1707 C CD . ARG A 1 219 ? 210.989 79.121 10.561 1.00 63.49 ? 214 ARG A CD 1 ATOM 1708 N NE . ARG A 1 219 ? 210.383 80.408 10.888 1.00 65.88 ? 214 ARG A NE 1 ATOM 1709 C CZ . ARG A 1 219 ? 210.640 81.096 11.996 1.00 72.62 ? 214 ARG A CZ 1 ATOM 1710 N NH1 . ARG A 1 219 ? 211.495 80.619 12.892 1.00 67.10 ? 214 ARG A NH1 1 ATOM 1711 N NH2 . ARG A 1 219 ? 210.043 82.261 12.211 1.00 65.99 ? 214 ARG A NH2 1 ATOM 1712 N N . ALA A 1 220 ? 213.280 82.722 8.003 1.00 65.55 ? 215 ALA A N 1 ATOM 1713 C CA . ALA A 1 220 ? 213.834 83.914 8.635 1.00 54.70 ? 215 ALA A CA 1 ATOM 1714 C C . ALA A 1 220 ? 212.751 84.818 9.214 1.00 62.13 ? 215 ALA A C 1 ATOM 1715 O O . ALA A 1 220 ? 211.609 84.805 8.763 1.00 68.41 ? 215 ALA A O 1 ATOM 1716 C CB . ALA A 1 220 ? 214.686 84.686 7.643 1.00 57.85 ? 215 ALA A CB 1 ATOM 1717 N N . HIS A 1 221 ? 213.123 85.599 10.222 1.00 56.91 ? 216 HIS A N 1 ATOM 1718 C CA . HIS A 1 221 ? 212.206 86.547 10.842 1.00 51.32 ? 216 HIS A CA 1 ATOM 1719 C C . HIS A 1 221 ? 212.909 87.884 11.028 1.00 56.03 ? 216 HIS A C 1 ATOM 1720 O O . HIS A 1 221 ? 213.841 88.003 11.822 1.00 57.77 ? 216 HIS A O 1 ATOM 1721 C CB . HIS A 1 221 ? 211.695 86.015 12.184 1.00 48.27 ? 216 HIS A CB 1 ATOM 1722 C CG . HIS A 1 221 ? 210.736 86.934 12.877 1.00 56.94 ? 216 HIS A CG 1 ATOM 1723 N ND1 . HIS A 1 221 ? 210.494 86.872 14.233 1.00 61.89 ? 216 HIS A ND1 1 ATOM 1724 C CD2 . HIS A 1 221 ? 209.955 87.934 12.403 1.00 57.11 ? 216 HIS A CD2 1 ATOM 1725 C CE1 . HIS A 1 221 ? 209.611 87.797 14.565 1.00 49.80 ? 216 HIS A CE1 1 ATOM 1726 N NE2 . HIS A 1 221 ? 209.269 88.456 13.472 1.00 53.48 ? 216 HIS A NE2 1 ATOM 1727 N N . LEU A 1 222 ? 212.460 88.887 10.283 1.00 61.04 ? 217 LEU A N 1 ATOM 1728 C CA . LEU A 1 222 ? 213.088 90.198 10.309 1.00 54.55 ? 217 LEU A CA 1 ATOM 1729 C C . LEU A 1 222 ? 212.117 91.251 10.827 1.00 61.99 ? 217 LEU A C 1 ATOM 1730 O O . LEU A 1 222 ? 211.120 91.553 10.178 1.00 63.72 ? 217 LEU A O 1 ATOM 1731 C CB . LEU A 1 222 ? 213.581 90.582 8.912 1.00 57.99 ? 217 LEU A CB 1 ATOM 1732 C CG . LEU A 1 222 ? 214.128 89.453 8.034 1.00 58.80 ? 217 LEU A CG 1 ATOM 1733 C CD1 . LEU A 1 222 ? 214.508 89.980 6.660 1.00 49.41 ? 217 LEU A CD1 1 ATOM 1734 C CD2 . LEU A 1 222 ? 215.317 88.771 8.691 1.00 62.08 ? 217 LEU A CD2 1 ATOM 1735 N N . ILE A 1 223 ? 212.409 91.808 11.996 1.00 57.88 ? 218 ILE A N 1 ATOM 1736 C CA . ILE A 1 223 ? 211.577 92.865 12.557 1.00 51.54 ? 218 ILE A CA 1 ATOM 1737 C C . ILE A 1 223 ? 212.032 94.220 12.037 1.00 52.50 ? 218 ILE A C 1 ATOM 1738 O O . ILE A 1 223 ? 211.544 95.262 12.472 1.00 56.54 ? 218 ILE A O 1 ATOM 1739 C CB . ILE A 1 223 ? 211.610 92.863 14.098 1.00 59.03 ? 218 ILE A CB 1 ATOM 1740 C CG1 . ILE A 1 223 ? 213.039 93.062 14.609 1.00 56.62 ? 218 ILE A CG1 1 ATOM 1741 C CG2 . ILE A 1 223 ? 211.023 91.570 14.640 1.00 61.33 ? 218 ILE A CG2 1 ATOM 1742 C CD1 . ILE A 1 223 ? 213.310 94.447 15.162 1.00 58.37 ? 218 ILE A CD1 1 ATOM 1743 N N . GLU A 1 224 ? 212.972 94.191 11.100 1.00 65.43 ? 219 GLU A N 1 ATOM 1744 C CA . GLU A 1 224 ? 213.525 95.404 10.515 1.00 66.58 ? 219 GLU A CA 1 ATOM 1745 C C . GLU A 1 224 ? 214.242 95.073 9.212 1.00 59.89 ? 219 GLU A C 1 ATOM 1746 O O . GLU A 1 224 ? 214.648 93.934 8.995 1.00 55.98 ? 219 GLU A O 1 ATOM 1747 C CB . GLU A 1 224 ? 214.482 96.083 11.495 1.00 59.68 ? 219 GLU A CB 1 ATOM 1748 C CG . GLU A 1 224 ? 215.725 95.268 11.817 1.00 66.22 ? 219 GLU A CG 1 ATOM 1749 C CD . GLU A 1 224 ? 216.640 95.961 12.809 1.00 67.79 ? 219 GLU A CD 1 ATOM 1750 O OE1 . GLU A 1 224 ? 216.293 97.068 13.274 1.00 72.63 ? 219 GLU A OE1 1 ATOM 1751 O OE2 . GLU A 1 224 ? 217.708 95.398 13.127 1.00 70.49 ? 219 GLU A OE2 1 ATOM 1752 N N . MET A 1 225 ? 214.381 96.062 8.336 1.00 53.16 ? 220 MET A N 1 ATOM 1753 C CA . MET A 1 225 ? 215.070 95.848 7.071 1.00 59.65 ? 220 MET A CA 1 ATOM 1754 C C . MET A 1 225 ? 216.299 96.743 6.971 1.00 58.06 ? 220 MET A C 1 ATOM 1755 O O . MET A 1 225 ? 216.259 97.794 6.334 1.00 62.82 ? 220 MET A O 1 ATOM 1756 C CB . MET A 1 225 ? 214.137 96.111 5.883 1.00 60.39 ? 220 MET A CB 1 ATOM 1757 C CG . MET A 1 225 ? 212.653 95.870 6.141 1.00 63.24 ? 220 MET A CG 1 ATOM 1758 S SD . MET A 1 225 ? 212.232 94.221 6.734 1.00 71.22 ? 220 MET A SD 1 ATOM 1759 C CE . MET A 1 225 ? 213.175 93.201 5.620 1.00 55.14 ? 220 MET A CE 1 ATOM 1760 N N . LYS A 1 226 ? 217.391 96.325 7.602 1.00 56.80 ? 221 LYS A N 1 ATOM 1761 C CA . LYS A 1 226 ? 218.596 97.144 7.636 1.00 59.07 ? 221 LYS A CA 1 ATOM 1762 C C . LYS A 1 226 ? 219.536 96.813 6.482 1.00 57.02 ? 221 LYS A C 1 ATOM 1763 O O . LYS A 1 226 ? 219.489 95.719 5.919 1.00 50.79 ? 221 LYS A O 1 ATOM 1764 C CB . LYS A 1 226 ? 219.316 96.989 8.978 1.00 52.96 ? 221 LYS A CB 1 ATOM 1765 C CG . LYS A 1 226 ? 219.661 95.571 9.381 1.00 47.14 ? 221 LYS A CG 1 ATOM 1766 C CD . LYS A 1 226 ? 220.300 95.571 10.762 1.00 56.12 ? 221 LYS A CD 1 ATOM 1767 C CE . LYS A 1 226 ? 220.843 94.204 11.139 1.00 43.18 ? 221 LYS A CE 1 ATOM 1768 N NZ . LYS A 1 226 ? 219.759 93.231 11.428 1.00 54.01 ? 221 LYS A NZ 1 ATOM 1769 N N . THR A 1 227 ? 220.393 97.769 6.139 1.00 55.23 ? 222 THR A N 1 ATOM 1770 C CA . THR A 1 227 ? 221.199 97.671 4.931 1.00 56.59 ? 222 THR A CA 1 ATOM 1771 C C . THR A 1 227 ? 222.702 97.699 5.198 1.00 55.44 ? 222 THR A C 1 ATOM 1772 O O . THR A 1 227 ? 223.492 97.963 4.292 1.00 58.50 ? 222 THR A O 1 ATOM 1773 C CB . THR A 1 227 ? 220.849 98.805 3.948 1.00 56.64 ? 222 THR A CB 1 ATOM 1774 O OG1 . THR A 1 227 ? 220.907 100.066 4.627 1.00 53.47 ? 222 THR A OG1 1 ATOM 1775 C CG2 . THR A 1 227 ? 219.448 98.607 3.395 1.00 57.29 ? 222 THR A CG2 1 ATOM 1776 N N . CYS A 1 228 ? 223.098 97.418 6.436 1.00 54.42 ? 223 CYS A N 1 ATOM 1777 C CA . CYS A 1 228 ? 224.513 97.273 6.758 1.00 54.08 ? 223 CYS A CA 1 ATOM 1778 C C . CYS A 1 228 ? 225.015 95.929 6.233 1.00 55.08 ? 223 CYS A C 1 ATOM 1779 O O . CYS A 1 228 ? 224.275 95.209 5.569 1.00 46.67 ? 223 CYS A O 1 ATOM 1780 C CB . CYS A 1 228 ? 224.750 97.400 8.266 1.00 55.21 ? 223 CYS A CB 1 ATOM 1781 S SG . CYS A 1 228 ? 223.665 96.392 9.305 1.00 60.20 ? 223 CYS A SG 1 ATOM 1782 N N . GLU A 1 229 ? 226.269 95.593 6.512 1.00 60.83 ? 224 GLU A N 1 ATOM 1783 C CA . GLU A 1 229 ? 226.824 94.337 6.016 1.00 64.41 ? 224 GLU A CA 1 ATOM 1784 C C . GLU A 1 229 ? 227.153 93.368 7.141 1.00 58.65 ? 224 GLU A C 1 ATOM 1785 O O . GLU A 1 229 ? 227.996 93.649 7.991 1.00 61.01 ? 224 GLU A O 1 ATOM 1786 C CB . GLU A 1 229 ? 228.071 94.596 5.170 1.00 64.44 ? 224 GLU A CB 1 ATOM 1787 C CG . GLU A 1 229 ? 227.767 95.147 3.787 1.00 65.99 ? 224 GLU A CG 1 ATOM 1788 C CD . GLU A 1 229 ? 229.011 95.328 2.942 1.00 67.85 ? 224 GLU A CD 1 ATOM 1789 O OE1 . GLU A 1 229 ? 230.049 94.712 3.263 1.00 66.17 ? 224 GLU A OE1 1 ATOM 1790 O OE2 . GLU A 1 229 ? 228.951 96.091 1.956 1.00 79.28 ? 224 GLU A OE2 1 ATOM 1791 N N . TRP A 1 230 ? 226.478 92.224 7.132 1.00 49.75 ? 225 TRP A N 1 ATOM 1792 C CA . TRP A 1 230 ? 226.712 91.182 8.119 1.00 53.88 ? 225 TRP A CA 1 ATOM 1793 C C . TRP A 1 230 ? 228.152 90.690 8.025 1.00 52.10 ? 225 TRP A C 1 ATOM 1794 O O . TRP A 1 230 ? 228.561 90.157 6.994 1.00 60.88 ? 225 TRP A O 1 ATOM 1795 C CB . TRP A 1 230 ? 225.733 90.026 7.912 1.00 49.25 ? 225 TRP A CB 1 ATOM 1796 C CG . TRP A 1 230 ? 225.558 89.150 9.112 1.00 53.70 ? 225 TRP A CG 1 ATOM 1797 C CD1 . TRP A 1 230 ? 226.418 88.190 9.558 1.00 59.69 ? 225 TRP A CD1 1 ATOM 1798 C CD2 . TRP A 1 230 ? 224.445 89.142 10.014 1.00 54.72 ? 225 TRP A CD2 1 ATOM 1799 N NE1 . TRP A 1 230 ? 225.913 87.589 10.686 1.00 57.24 ? 225 TRP A NE1 1 ATOM 1800 C CE2 . TRP A 1 230 ? 224.702 88.154 10.985 1.00 58.27 ? 225 TRP A CE2 1 ATOM 1801 C CE3 . TRP A 1 230 ? 223.257 89.875 10.095 1.00 53.66 ? 225 TRP A CE3 1 ATOM 1802 C CZ2 . TRP A 1 230 ? 223.815 87.880 12.025 1.00 60.03 ? 225 TRP A CZ2 1 ATOM 1803 C CZ3 . TRP A 1 230 ? 222.378 89.603 11.129 1.00 55.18 ? 225 TRP A CZ3 1 ATOM 1804 C CH2 . TRP A 1 230 ? 222.662 88.614 12.080 1.00 58.72 ? 225 TRP A CH2 1 ATOM 1805 N N . PRO A 1 231 ? 228.926 90.875 9.105 1.00 45.12 ? 226 PRO A N 1 ATOM 1806 C CA . PRO A 1 231 ? 230.351 90.526 9.141 1.00 51.86 ? 226 PRO A CA 1 ATOM 1807 C C . PRO A 1 231 ? 230.612 89.033 8.965 1.00 51.42 ? 226 PRO A C 1 ATOM 1808 O O . PRO A 1 231 ? 229.859 88.205 9.476 1.00 51.70 ? 226 PRO A O 1 ATOM 1809 C CB . PRO A 1 231 ? 230.793 90.994 10.532 1.00 51.43 ? 226 PRO A CB 1 ATOM 1810 C CG . PRO A 1 231 ? 229.545 91.021 11.338 1.00 51.78 ? 226 PRO A CG 1 ATOM 1811 C CD . PRO A 1 231 ? 228.465 91.432 10.388 1.00 51.71 ? 226 PRO A CD 1 ATOM 1812 N N . LYS A 1 232 ? 231.678 88.706 8.241 1.00 63.15 ? 227 LYS A N 1 ATOM 1813 C CA . LYS A 1 232 ? 232.061 87.319 8.001 1.00 57.79 ? 227 LYS A CA 1 ATOM 1814 C C . LYS A 1 232 ? 232.565 86.654 9.274 1.00 60.35 ? 227 LYS A C 1 ATOM 1815 O O . LYS A 1 232 ? 232.497 85.433 9.414 1.00 62.73 ? 227 LYS A O 1 ATOM 1816 C CB . LYS A 1 232 ? 233.138 87.241 6.918 1.00 63.85 ? 227 LYS A CB 1 ATOM 1817 C CG . LYS A 1 232 ? 232.686 87.703 5.546 1.00 68.74 ? 227 LYS A CG 1 ATOM 1818 C CD . LYS A 1 232 ? 233.870 87.815 4.600 1.00 67.66 ? 227 LYS A CD 1 ATOM 1819 C CE . LYS A 1 232 ? 233.421 88.064 3.172 1.00 72.95 ? 227 LYS A CE 1 ATOM 1820 N NZ . LYS A 1 232 ? 234.584 88.229 2.258 1.00 81.11 ? 227 LYS A NZ 1 ATOM 1821 N N . SER A 1 233 ? 233.079 87.464 10.194 1.00 55.28 ? 228 SER A N 1 ATOM 1822 C CA . SER A 1 233 ? 233.582 86.961 11.467 1.00 50.78 ? 228 SER A CA 1 ATOM 1823 C C . SER A 1 233 ? 232.473 86.275 12.253 1.00 49.78 ? 228 SER A C 1 ATOM 1824 O O . SER A 1 233 ? 232.725 85.340 13.011 1.00 49.34 ? 228 SER A O 1 ATOM 1825 C CB . SER A 1 233 ? 234.190 88.097 12.293 1.00 47.71 ? 228 SER A CB 1 ATOM 1826 O OG . SER A 1 233 ? 233.213 89.069 12.624 1.00 53.46 ? 228 SER A OG 1 ATOM 1827 N N . HIS A 1 234 ? 231.245 86.745 12.060 1.00 56.05 ? 229 HIS A N 1 ATOM 1828 C CA . HIS A 1 234 ? 230.082 86.173 12.725 1.00 57.51 ? 229 HIS A CA 1 ATOM 1829 C C . HIS A 1 234 ? 229.201 85.423 11.735 1.00 56.25 ? 229 HIS A C 1 ATOM 1830 O O . HIS A 1 234 ? 227.981 85.374 11.889 1.00 53.63 ? 229 HIS A O 1 ATOM 1831 C CB . HIS A 1 234 ? 229.270 87.264 13.420 1.00 53.26 ? 229 HIS A CB 1 ATOM 1832 C CG . HIS A 1 234 ? 229.989 87.927 14.552 1.00 58.75 ? 229 HIS A CG 1 ATOM 1833 N ND1 . HIS A 1 234 ? 231.206 88.555 14.397 1.00 58.06 ? 229 HIS A ND1 1 ATOM 1834 C CD2 . HIS A 1 234 ? 229.658 88.065 15.858 1.00 58.90 ? 229 HIS A CD2 1 ATOM 1835 C CE1 . HIS A 1 234 ? 231.595 89.049 15.559 1.00 60.31 ? 229 HIS A CE1 1 ATOM 1836 N NE2 . HIS A 1 234 ? 230.673 88.767 16.461 1.00 60.25 ? 229 HIS A NE2 1 ATOM 1837 N N . THR A 1 235 ? 229.826 84.846 10.715 1.00 54.92 ? 230 THR A N 1 ATOM 1838 C CA . THR A 1 235 ? 229.101 84.110 9.688 1.00 47.27 ? 230 THR A CA 1 ATOM 1839 C C . THR A 1 235 ? 229.767 82.759 9.447 1.00 47.28 ? 230 THR A C 1 ATOM 1840 O O . THR A 1 235 ? 230.990 82.648 9.511 1.00 54.27 ? 230 THR A O 1 ATOM 1841 C CB . THR A 1 235 ? 229.040 84.904 8.365 1.00 54.41 ? 230 THR A CB 1 ATOM 1842 O OG1 . THR A 1 235 ? 228.588 86.240 8.620 1.00 55.06 ? 230 THR A OG1 1 ATOM 1843 C CG2 . THR A 1 235 ? 228.102 84.239 7.376 1.00 52.13 ? 230 THR A CG2 1 ATOM 1844 N N . LEU A 1 236 ? 228.966 81.733 9.181 1.00 46.78 ? 231 LEU A N 1 ATOM 1845 C CA . LEU A 1 236 ? 229.502 80.407 8.886 1.00 48.30 ? 231 LEU A CA 1 ATOM 1846 C C . LEU A 1 236 ? 229.596 80.145 7.395 1.00 52.05 ? 231 LEU A C 1 ATOM 1847 O O . LEU A 1 236 ? 228.746 80.600 6.627 1.00 50.14 ? 231 LEU A O 1 ATOM 1848 C CB . LEU A 1 236 ? 228.641 79.322 9.522 1.00 43.12 ? 231 LEU A CB 1 ATOM 1849 C CG . LEU A 1 236 ? 228.419 79.457 11.021 1.00 40.00 ? 231 LEU A CG 1 ATOM 1850 C CD1 . LEU A 1 236 ? 226.943 79.413 11.294 1.00 45.47 ? 231 LEU A CD1 1 ATOM 1851 C CD2 . LEU A 1 236 ? 229.149 78.361 11.770 1.00 41.08 ? 231 LEU A CD2 1 ATOM 1852 N N . TRP A 1 237 ? 230.626 79.396 7.003 1.00 49.79 ? 232 TRP A N 1 ATOM 1853 C CA . TRP A 1 237 ? 230.791 78.950 5.624 1.00 52.44 ? 232 TRP A CA 1 ATOM 1854 C C . TRP A 1 237 ? 230.719 80.140 4.674 1.00 54.21 ? 232 TRP A C 1 ATOM 1855 O O . TRP A 1 237 ? 229.764 80.285 3.912 1.00 51.63 ? 232 TRP A O 1 ATOM 1856 C CB . TRP A 1 237 ? 229.726 77.907 5.277 1.00 53.60 ? 232 TRP A CB 1 ATOM 1857 C CG . TRP A 1 237 ? 230.079 77.016 4.131 1.00 61.72 ? 232 TRP A CG 1 ATOM 1858 C CD1 . TRP A 1 237 ? 231.168 77.116 3.316 1.00 59.50 ? 232 TRP A CD1 1 ATOM 1859 C CD2 . TRP A 1 237 ? 229.339 75.876 3.674 1.00 64.61 ? 232 TRP A CD2 1 ATOM 1860 N NE1 . TRP A 1 237 ? 231.151 76.112 2.378 1.00 62.66 ? 232 TRP A NE1 1 ATOM 1861 C CE2 . TRP A 1 237 ? 230.039 75.337 2.576 1.00 61.69 ? 232 TRP A CE2 1 ATOM 1862 C CE3 . TRP A 1 237 ? 228.153 75.261 4.087 1.00 57.95 ? 232 TRP A CE3 1 ATOM 1863 C CZ2 . TRP A 1 237 ? 229.592 74.212 1.885 1.00 54.89 ? 232 TRP A CZ2 1 ATOM 1864 C CZ3 . TRP A 1 237 ? 227.710 74.145 3.399 1.00 61.84 ? 232 TRP A CZ3 1 ATOM 1865 C CH2 . TRP A 1 237 ? 228.428 73.632 2.310 1.00 56.03 ? 232 TRP A CH2 1 ATOM 1866 N N . THR A 1 238 ? 231.729 81.000 4.745 1.00 57.18 ? 233 THR A N 1 ATOM 1867 C CA . THR A 1 238 ? 231.714 82.264 4.021 1.00 51.72 ? 233 THR A CA 1 ATOM 1868 C C . THR A 1 238 ? 232.537 82.203 2.741 1.00 51.36 ? 233 THR A C 1 ATOM 1869 O O . THR A 1 238 ? 232.814 83.230 2.124 1.00 58.57 ? 233 THR A O 1 ATOM 1870 C CB . THR A 1 238 ? 232.246 83.409 4.899 1.00 50.53 ? 233 THR A CB 1 ATOM 1871 O OG1 . THR A 1 238 ? 233.634 83.191 5.182 1.00 51.35 ? 233 THR A OG1 1 ATOM 1872 C CG2 . THR A 1 238 ? 231.485 83.468 6.203 1.00 49.35 ? 233 THR A CG2 1 ATOM 1873 N N . ASP A 1 239 ? 232.926 80.998 2.344 1.00 62.79 ? 234 ASP A N 1 ATOM 1874 C CA . ASP A 1 239 ? 233.710 80.818 1.130 1.00 62.69 ? 234 ASP A CA 1 ATOM 1875 C C . ASP A 1 239 ? 232.930 80.021 0.096 1.00 64.91 ? 234 ASP A C 1 ATOM 1876 O O . ASP A 1 239 ? 232.075 79.206 0.441 1.00 68.30 ? 234 ASP A O 1 ATOM 1877 C CB . ASP A 1 239 ? 235.030 80.114 1.440 1.00 58.10 ? 234 ASP A CB 1 ATOM 1878 C CG . ASP A 1 239 ? 234.837 78.656 1.782 1.00 62.50 ? 234 ASP A CG 1 ATOM 1879 O OD1 . ASP A 1 239 ? 235.111 77.799 0.916 1.00 74.20 ? 234 ASP A OD1 1 ATOM 1880 O OD2 . ASP A 1 239 ? 234.396 78.367 2.912 1.00 69.51 ? 234 ASP A OD2 1 ATOM 1881 N N . GLY A 1 240 ? 233.230 80.261 -1.175 1.00 65.00 ? 235 GLY A N 1 ATOM 1882 C CA . GLY A 1 240 ? 232.596 79.534 -2.257 1.00 69.28 ? 235 GLY A CA 1 ATOM 1883 C C . GLY A 1 240 ? 231.166 79.962 -2.523 1.00 64.22 ? 235 GLY A C 1 ATOM 1884 O O . GLY A 1 240 ? 230.365 79.174 -3.020 1.00 71.84 ? 235 GLY A O 1 ATOM 1885 N N . ILE A 1 241 ? 230.841 81.207 -2.188 1.00 60.53 ? 236 ILE A N 1 ATOM 1886 C CA . ILE A 1 241 ? 229.513 81.746 -2.463 1.00 62.53 ? 236 ILE A CA 1 ATOM 1887 C C . ILE A 1 241 ? 229.581 83.121 -3.110 1.00 64.14 ? 236 ILE A C 1 ATOM 1888 O O . ILE A 1 241 ? 230.217 84.037 -2.591 1.00 60.93 ? 236 ILE A O 1 ATOM 1889 C CB . ILE A 1 241 ? 228.648 81.848 -1.182 1.00 72.00 ? 236 ILE A CB 1 ATOM 1890 C CG1 . ILE A 1 241 ? 229.523 81.828 0.074 1.00 63.26 ? 236 ILE A CG1 1 ATOM 1891 C CG2 . ILE A 1 241 ? 227.613 80.731 -1.144 1.00 71.58 ? 236 ILE A CG2 1 ATOM 1892 C CD1 . ILE A 1 241 ? 230.101 83.176 0.439 1.00 60.28 ? 236 ILE A CD1 1 ATOM 1893 N N . GLU A 1 242 ? 228.923 83.253 -4.256 1.00 86.59 ? 237 GLU A N 1 ATOM 1894 C CA . GLU A 1 242 ? 228.798 84.542 -4.916 1.00 81.48 ? 237 GLU A CA 1 ATOM 1895 C C . GLU A 1 242 ? 227.698 85.334 -4.218 1.00 81.14 ? 237 GLU A C 1 ATOM 1896 O O . GLU A 1 242 ? 226.804 84.754 -3.600 1.00 77.20 ? 237 GLU A O 1 ATOM 1897 C CB . GLU A 1 242 ? 228.489 84.364 -6.407 1.00 92.18 ? 237 GLU A CB 1 ATOM 1898 C CG . GLU A 1 242 ? 228.936 85.517 -7.302 1.00 102.64 ? 237 GLU A CG 1 ATOM 1899 C CD . GLU A 1 242 ? 230.401 85.426 -7.698 1.00 109.79 ? 237 GLU A CD 1 ATOM 1900 O OE1 . GLU A 1 242 ? 231.270 85.468 -6.800 1.00 110.31 ? 237 GLU A OE1 1 ATOM 1901 O OE2 . GLU A 1 242 ? 230.683 85.310 -8.911 1.00 105.28 ? 237 GLU A OE2 1 ATOM 1902 N N . GLU A 1 243 ? 227.765 86.656 -4.315 1.00 71.41 ? 238 GLU A N 1 ATOM 1903 C CA . GLU A 1 243 ? 226.803 87.526 -3.647 1.00 63.99 ? 238 GLU A CA 1 ATOM 1904 C C . GLU A 1 243 ? 225.385 87.337 -4.195 1.00 68.52 ? 238 GLU A C 1 ATOM 1905 O O . GLU A 1 243 ? 224.398 87.645 -3.521 1.00 66.47 ? 238 GLU A O 1 ATOM 1906 C CB . GLU A 1 243 ? 227.258 88.986 -3.771 1.00 59.14 ? 238 GLU A CB 1 ATOM 1907 C CG . GLU A 1 243 ? 226.222 89.968 -4.286 1.00 69.29 ? 238 GLU A CG 1 ATOM 1908 C CD . GLU A 1 243 ? 226.733 91.395 -4.285 1.00 78.11 ? 238 GLU A CD 1 ATOM 1909 O OE1 . GLU A 1 243 ? 226.076 92.266 -4.893 1.00 92.27 ? 238 GLU A OE1 1 ATOM 1910 O OE2 . GLU A 1 243 ? 227.794 91.645 -3.674 1.00 75.87 ? 238 GLU A OE2 1 ATOM 1911 N N . SER A 1 244 ? 225.285 86.795 -5.404 1.00 61.49 ? 239 SER A N 1 ATOM 1912 C CA . SER A 1 244 ? 223.987 86.578 -6.032 1.00 55.44 ? 239 SER A CA 1 ATOM 1913 C C . SER A 1 244 ? 223.334 85.262 -5.599 1.00 60.32 ? 239 SER A C 1 ATOM 1914 O O . SER A 1 244 ? 222.188 84.988 -5.956 1.00 57.10 ? 239 SER A O 1 ATOM 1915 C CB . SER A 1 244 ? 224.120 86.614 -7.556 1.00 54.76 ? 239 SER A CB 1 ATOM 1916 O OG . SER A 1 244 ? 224.935 85.554 -8.026 1.00 70.61 ? 239 SER A OG 1 ATOM 1917 N N . ASP A 1 245 ? 224.057 84.452 -4.831 1.00 63.91 ? 240 ASP A N 1 ATOM 1918 C CA . ASP A 1 245 ? 223.520 83.180 -4.350 1.00 57.61 ? 240 ASP A CA 1 ATOM 1919 C C . ASP A 1 245 ? 222.622 83.379 -3.135 1.00 57.82 ? 240 ASP A C 1 ATOM 1920 O O . ASP A 1 245 ? 221.716 82.586 -2.883 1.00 58.01 ? 240 ASP A O 1 ATOM 1921 C CB . ASP A 1 245 ? 224.650 82.211 -3.995 1.00 66.31 ? 240 ASP A CB 1 ATOM 1922 C CG . ASP A 1 245 ? 225.422 81.739 -5.209 1.00 74.92 ? 240 ASP A CG 1 ATOM 1923 O OD1 . ASP A 1 245 ? 224.804 81.551 -6.278 1.00 71.47 ? 240 ASP A OD1 1 ATOM 1924 O OD2 . ASP A 1 245 ? 226.652 81.551 -5.091 1.00 73.68 ? 240 ASP A OD2 1 ATOM 1925 N N . LEU A 1 246 ? 222.887 84.443 -2.384 1.00 59.62 ? 241 LEU A N 1 ATOM 1926 C CA . LEU A 1 246 ? 222.200 84.693 -1.122 1.00 63.31 ? 241 LEU A CA 1 ATOM 1927 C C . LEU A 1 246 ? 220.721 84.994 -1.317 1.00 65.71 ? 241 LEU A C 1 ATOM 1928 O O . LEU A 1 246 ? 220.359 85.784 -2.182 1.00 72.06 ? 241 LEU A O 1 ATOM 1929 C CB . LEU A 1 246 ? 222.862 85.855 -0.384 1.00 58.16 ? 241 LEU A CB 1 ATOM 1930 C CG . LEU A 1 246 ? 224.382 85.793 -0.261 1.00 52.33 ? 241 LEU A CG 1 ATOM 1931 C CD1 . LEU A 1 246 ? 224.910 87.068 0.372 1.00 59.85 ? 241 LEU A CD1 1 ATOM 1932 C CD2 . LEU A 1 246 ? 224.799 84.577 0.544 1.00 53.82 ? 241 LEU A CD2 1 ATOM 1933 N N . ILE A 1 247 ? 219.870 84.368 -0.509 1.00 61.39 ? 242 ILE A N 1 ATOM 1934 C CA . ILE A 1 247 ? 218.442 84.665 -0.541 1.00 56.05 ? 242 ILE A CA 1 ATOM 1935 C C . ILE A 1 247 ? 218.201 86.069 0.007 1.00 56.09 ? 242 ILE A C 1 ATOM 1936 O O . ILE A 1 247 ? 217.690 86.939 -0.695 1.00 65.84 ? 242 ILE A O 1 ATOM 1937 C CB . ILE A 1 247 ? 217.624 83.640 0.264 1.00 63.66 ? 242 ILE A CB 1 ATOM 1938 C CG1 . ILE A 1 247 ? 217.890 82.224 -0.252 1.00 64.42 ? 242 ILE A CG1 1 ATOM 1939 C CG2 . ILE A 1 247 ? 216.141 83.964 0.187 1.00 70.63 ? 242 ILE A CG2 1 ATOM 1940 C CD1 . ILE A 1 247 ? 217.604 82.047 -1.728 1.00 64.03 ? 242 ILE A CD1 1 ATOM 1941 N N . ILE A 1 248 ? 218.579 86.287 1.262 1.00 53.17 ? 243 ILE A N 1 ATOM 1942 C CA . ILE A 1 248 ? 218.563 87.627 1.835 1.00 57.57 ? 243 ILE A CA 1 ATOM 1943 C C . ILE A 1 248 ? 219.768 88.408 1.318 1.00 54.09 ? 243 ILE A C 1 ATOM 1944 O O . ILE A 1 248 ? 220.909 88.036 1.586 1.00 56.83 ? 243 ILE A O 1 ATOM 1945 C CB . ILE A 1 248 ? 218.584 87.594 3.376 1.00 61.14 ? 243 ILE A CB 1 ATOM 1946 C CG1 . ILE A 1 248 ? 217.467 86.690 3.903 1.00 56.73 ? 243 ILE A CG1 1 ATOM 1947 C CG2 . ILE A 1 248 ? 218.457 89.001 3.945 1.00 49.44 ? 243 ILE A CG2 1 ATOM 1948 C CD1 . ILE A 1 248 ? 217.422 86.586 5.411 1.00 48.77 ? 243 ILE A CD1 1 ATOM 1949 N N . PRO A 1 249 ? 219.514 89.490 0.566 1.00 57.01 ? 244 PRO A N 1 ATOM 1950 C CA . PRO A 1 249 ? 220.561 90.283 -0.093 1.00 58.42 ? 244 PRO A CA 1 ATOM 1951 C C . PRO A 1 249 ? 221.657 90.765 0.853 1.00 61.38 ? 244 PRO A C 1 ATOM 1952 O O . PRO A 1 249 ? 221.371 91.160 1.983 1.00 62.83 ? 244 PRO A O 1 ATOM 1953 C CB . PRO A 1 249 ? 219.787 91.474 -0.665 1.00 55.23 ? 244 PRO A CB 1 ATOM 1954 C CG . PRO A 1 249 ? 218.404 90.963 -0.855 1.00 65.37 ? 244 PRO A CG 1 ATOM 1955 C CD . PRO A 1 249 ? 218.168 90.019 0.288 1.00 61.37 ? 244 PRO A CD 1 ATOM 1956 N N . LYS A 1 250 ? 222.899 90.724 0.381 1.00 65.47 ? 245 LYS A N 1 ATOM 1957 C CA . LYS A 1 250 ? 224.040 91.216 1.144 1.00 56.29 ? 245 LYS A CA 1 ATOM 1958 C C . LYS A 1 250 ? 223.853 92.682 1.514 1.00 54.69 ? 245 LYS A C 1 ATOM 1959 O O . LYS A 1 250 ? 224.207 93.108 2.612 1.00 65.47 ? 245 LYS A O 1 ATOM 1960 C CB . LYS A 1 250 ? 225.332 91.034 0.346 1.00 54.89 ? 245 LYS A CB 1 ATOM 1961 C CG . LYS A 1 250 ? 226.541 91.722 0.947 1.00 60.79 ? 245 LYS A CG 1 ATOM 1962 C CD . LYS A 1 250 ? 227.762 91.565 0.058 1.00 63.13 ? 245 LYS A CD 1 ATOM 1963 C CE . LYS A 1 250 ? 228.939 92.360 0.600 1.00 65.07 ? 245 LYS A CE 1 ATOM 1964 N NZ . LYS A 1 250 ? 230.138 92.250 -0.277 1.00 67.24 ? 245 LYS A NZ 1 ATOM 1965 N N . SER A 1 251 ? 223.278 93.446 0.592 1.00 53.76 ? 246 SER A N 1 ATOM 1966 C CA . SER A 1 251 ? 223.014 94.862 0.819 1.00 57.73 ? 246 SER A CA 1 ATOM 1967 C C . SER A 1 251 ? 221.775 95.068 1.688 1.00 58.80 ? 246 SER A C 1 ATOM 1968 O O . SER A 1 251 ? 221.385 96.201 1.972 1.00 54.93 ? 246 SER A O 1 ATOM 1969 C CB . SER A 1 251 ? 222.858 95.594 -0.515 1.00 57.72 ? 246 SER A CB 1 ATOM 1970 O OG . SER A 1 251 ? 222.128 94.809 -1.442 1.00 66.71 ? 246 SER A OG 1 ATOM 1971 N N . LEU A 1 252 ? 221.162 93.961 2.102 1.00 65.82 ? 247 LEU A N 1 ATOM 1972 C CA . LEU A 1 252 ? 220.049 93.985 3.045 1.00 65.20 ? 247 LEU A CA 1 ATOM 1973 C C . LEU A 1 252 ? 220.473 93.246 4.314 1.00 69.55 ? 247 LEU A C 1 ATOM 1974 O O . LEU A 1 252 ? 219.688 92.512 4.918 1.00 67.29 ? 247 LEU A O 1 ATOM 1975 C CB . LEU A 1 252 ? 218.796 93.353 2.428 1.00 68.34 ? 247 LEU A CB 1 ATOM 1976 C CG . LEU A 1 252 ? 217.405 93.842 2.857 1.00 69.59 ? 247 LEU A CG 1 ATOM 1977 C CD1 . LEU A 1 252 ? 216.725 92.856 3.798 1.00 59.26 ? 247 LEU A CD1 1 ATOM 1978 C CD2 . LEU A 1 252 ? 217.467 95.229 3.486 1.00 61.70 ? 247 LEU A CD2 1 ATOM 1979 N N . ALA A 1 253 ? 221.736 93.441 4.689 1.00 60.57 ? 248 ALA A N 1 ATOM 1980 C CA . ALA A 1 253 ? 222.338 92.824 5.870 1.00 49.16 ? 248 ALA A CA 1 ATOM 1981 C C . ALA A 1 253 ? 222.280 91.300 5.836 1.00 49.86 ? 248 ALA A C 1 ATOM 1982 O O . ALA A 1 253 ? 222.256 90.650 6.880 1.00 52.23 ? 248 ALA A O 1 ATOM 1983 C CB . ALA A 1 253 ? 221.680 93.350 7.134 1.00 60.40 ? 248 ALA A CB 1 ATOM 1984 N N . GLY A 1 254 ? 222.274 90.735 4.633 1.00 58.90 ? 249 GLY A N 1 ATOM 1985 C CA . GLY A 1 254 ? 222.303 89.293 4.470 1.00 59.79 ? 249 GLY A CA 1 ATOM 1986 C C . GLY A 1 254 ? 223.696 88.728 4.681 1.00 64.13 ? 249 GLY A C 1 ATOM 1987 O O . GLY A 1 254 ? 224.677 89.275 4.177 1.00 72.95 ? 249 GLY A O 1 ATOM 1988 N N . PRO A 1 255 ? 223.795 87.633 5.446 1.00 44.43 ? 250 PRO A N 1 ATOM 1989 C CA . PRO A 1 255 ? 225.075 86.970 5.722 1.00 51.24 ? 250 PRO A CA 1 ATOM 1990 C C . PRO A 1 255 ? 225.685 86.296 4.493 1.00 51.93 ? 250 PRO A C 1 ATOM 1991 O O . PRO A 1 255 ? 225.003 85.542 3.800 1.00 52.78 ? 250 PRO A O 1 ATOM 1992 C CB . PRO A 1 255 ? 224.705 85.923 6.781 1.00 46.80 ? 250 PRO A CB 1 ATOM 1993 C CG . PRO A 1 255 ? 223.437 86.423 7.390 1.00 38.46 ? 250 PRO A CG 1 ATOM 1994 C CD . PRO A 1 255 ? 222.704 87.079 6.264 1.00 46.69 ? 250 PRO A CD 1 ATOM 1995 N N . LEU A 1 256 ? 226.960 86.570 4.236 1.00 60.98 ? 251 LEU A N 1 ATOM 1996 C CA . LEU A 1 256 ? 227.692 85.912 3.159 1.00 54.39 ? 251 LEU A CA 1 ATOM 1997 C C . LEU A 1 256 ? 227.874 84.434 3.472 1.00 57.82 ? 251 LEU A C 1 ATOM 1998 O O . LEU A 1 256 ? 228.956 84.016 3.880 1.00 59.09 ? 251 LEU A O 1 ATOM 1999 C CB . LEU A 1 256 ? 229.060 86.565 2.952 1.00 62.16 ? 251 LEU A CB 1 ATOM 2000 C CG . LEU A 1 256 ? 229.190 87.823 2.091 1.00 75.74 ? 251 LEU A CG 1 ATOM 2001 C CD1 . LEU A 1 256 ? 228.859 87.511 0.638 1.00 75.95 ? 251 LEU A CD1 1 ATOM 2002 C CD2 . LEU A 1 256 ? 228.326 88.965 2.619 1.00 63.55 ? 251 LEU A CD2 1 ATOM 2003 N N . SER A 1 257 ? 226.827 83.640 3.278 1.00 50.95 ? 252 SER A N 1 ATOM 2004 C CA . SER A 1 257 ? 226.870 82.249 3.715 1.00 53.27 ? 252 SER A CA 1 ATOM 2005 C C . SER A 1 257 ? 226.122 81.278 2.811 1.00 54.35 ? 252 SER A C 1 ATOM 2006 O O . SER A 1 257 ? 225.133 81.636 2.174 1.00 61.35 ? 252 SER A O 1 ATOM 2007 C CB . SER A 1 257 ? 226.308 82.139 5.132 1.00 47.77 ? 252 SER A CB 1 ATOM 2008 O OG . SER A 1 257 ? 226.251 80.788 5.544 1.00 49.42 ? 252 SER A OG 1 ATOM 2009 N N . HIS A 1 258 ? 226.604 80.040 2.771 1.00 51.92 ? 253 HIS A N 1 ATOM 2010 C CA . HIS A 1 258 ? 225.885 78.955 2.121 1.00 49.58 ? 253 HIS A CA 1 ATOM 2011 C C . HIS A 1 258 ? 224.580 78.689 2.864 1.00 60.37 ? 253 HIS A C 1 ATOM 2012 O O . HIS A 1 258 ? 223.609 78.207 2.279 1.00 66.73 ? 253 HIS A O 1 ATOM 2013 C CB . HIS A 1 258 ? 226.734 77.683 2.076 1.00 56.79 ? 253 HIS A CB 1 ATOM 2014 C CG . HIS A 1 258 ? 227.884 77.752 1.121 1.00 66.94 ? 253 HIS A CG 1 ATOM 2015 N ND1 . HIS A 1 258 ? 227.974 76.945 0.007 1.00 67.60 ? 253 HIS A ND1 1 ATOM 2016 C CD2 . HIS A 1 258 ? 228.996 78.524 1.117 1.00 71.59 ? 253 HIS A CD2 1 ATOM 2017 C CE1 . HIS A 1 258 ? 229.089 77.220 -0.645 1.00 68.90 ? 253 HIS A CE1 1 ATOM 2018 N NE2 . HIS A 1 258 ? 229.727 78.176 0.007 1.00 71.65 ? 253 HIS A NE2 1 ATOM 2019 N N . HIS A 1 259 ? 224.568 79.004 4.158 1.00 51.00 ? 254 HIS A N 1 ATOM 2020 C CA . HIS A 1 259 ? 223.365 78.875 4.975 1.00 58.08 ? 254 HIS A CA 1 ATOM 2021 C C . HIS A 1 259 ? 222.265 79.804 4.472 1.00 57.58 ? 254 HIS A C 1 ATOM 2022 O O . HIS A 1 259 ? 221.080 79.555 4.691 1.00 55.77 ? 254 HIS A O 1 ATOM 2023 C CB . HIS A 1 259 ? 223.670 79.182 6.443 1.00 50.52 ? 254 HIS A CB 1 ATOM 2024 C CG . HIS A 1 259 ? 224.567 78.181 7.100 1.00 47.65 ? 254 HIS A CG 1 ATOM 2025 N ND1 . HIS A 1 259 ? 224.091 77.177 7.915 1.00 48.29 ? 254 HIS A ND1 1 ATOM 2026 C CD2 . HIS A 1 259 ? 225.913 78.031 7.067 1.00 51.86 ? 254 HIS A CD2 1 ATOM 2027 C CE1 . HIS A 1 259 ? 225.103 76.451 8.354 1.00 53.77 ? 254 HIS A CE1 1 ATOM 2028 N NE2 . HIS A 1 259 ? 226.220 76.949 7.855 1.00 51.21 ? 254 HIS A NE2 1 ATOM 2029 N N . ASN A 1 260 ? 222.672 80.875 3.800 1.00 58.49 ? 255 ASN A N 1 ATOM 2030 C CA . ASN A 1 260 ? 221.746 81.866 3.271 1.00 56.46 ? 255 ASN A CA 1 ATOM 2031 C C . ASN A 1 260 ? 221.415 81.579 1.808 1.00 63.36 ? 255 ASN A C 1 ATOM 2032 O O . ASN A 1 260 ? 221.317 82.489 0.987 1.00 58.79 ? 255 ASN A O 1 ATOM 2033 C CB . ASN A 1 260 ? 222.338 83.271 3.431 1.00 54.19 ? 255 ASN A CB 1 ATOM 2034 C CG . ASN A 1 260 ? 221.333 84.371 3.150 1.00 60.13 ? 255 ASN A CG 1 ATOM 2035 O OD1 . ASN A 1 260 ? 220.137 84.116 3.006 1.00 60.29 ? 255 ASN A OD1 1 ATOM 2036 N ND2 . ASN A 1 260 ? 221.817 85.606 3.069 1.00 54.06 ? 255 ASN A ND2 1 ATOM 2037 N N . THR A 1 261 ? 221.256 80.301 1.481 1.00 54.37 ? 256 THR A N 1 ATOM 2038 C CA . THR A 1 261 ? 220.931 79.908 0.115 1.00 56.41 ? 256 THR A CA 1 ATOM 2039 C C . THR A 1 261 ? 219.781 78.912 0.072 1.00 61.03 ? 256 THR A C 1 ATOM 2040 O O . THR A 1 261 ? 219.383 78.357 1.096 1.00 66.34 ? 256 THR A O 1 ATOM 2041 C CB . THR A 1 261 ? 222.142 79.279 -0.605 1.00 55.14 ? 256 THR A CB 1 ATOM 2042 O OG1 . THR A 1 261 ? 222.509 78.060 0.051 1.00 60.34 ? 256 THR A OG1 1 ATOM 2043 C CG2 . THR A 1 261 ? 223.328 80.233 -0.611 1.00 48.16 ? 256 THR A CG2 1 ATOM 2044 N N . ARG A 1 262 ? 219.259 78.693 -1.129 1.00 62.19 ? 257 ARG A N 1 ATOM 2045 C CA . ARG A 1 262 ? 218.225 77.695 -1.367 1.00 57.14 ? 257 ARG A CA 1 ATOM 2046 C C . ARG A 1 262 ? 218.158 77.393 -2.857 1.00 54.96 ? 257 ARG A C 1 ATOM 2047 O O . ARG A 1 262 ? 218.125 78.309 -3.679 1.00 61.42 ? 257 ARG A O 1 ATOM 2048 C CB . ARG A 1 262 ? 216.864 78.176 -0.862 1.00 65.42 ? 257 ARG A CB 1 ATOM 2049 C CG . ARG A 1 262 ? 215.760 77.133 -0.964 1.00 58.44 ? 257 ARG A CG 1 ATOM 2050 C CD . ARG A 1 262 ? 215.472 76.503 0.386 1.00 61.06 ? 257 ARG A CD 1 ATOM 2051 N NE . ARG A 1 262 ? 214.331 75.593 0.334 1.00 65.67 ? 257 ARG A NE 1 ATOM 2052 C CZ . ARG A 1 262 ? 213.679 75.151 1.404 1.00 64.48 ? 257 ARG A CZ 1 ATOM 2053 N NH1 . ARG A 1 262 ? 214.046 75.543 2.617 1.00 63.61 ? 257 ARG A NH1 1 ATOM 2054 N NH2 . ARG A 1 262 ? 212.655 74.322 1.262 1.00 70.79 ? 257 ARG A NH2 1 ATOM 2055 N N . GLU A 1 263 ? 218.147 76.109 -3.199 1.00 49.16 ? 258 GLU A N 1 ATOM 2056 C CA . GLU A 1 263 ? 218.078 75.685 -4.592 1.00 53.57 ? 258 GLU A CA 1 ATOM 2057 C C . GLU A 1 263 ? 216.849 76.262 -5.284 1.00 62.65 ? 258 GLU A C 1 ATOM 2058 O O . GLU A 1 263 ? 215.752 76.261 -4.724 1.00 59.23 ? 258 GLU A O 1 ATOM 2059 C CB . GLU A 1 263 ? 218.063 74.158 -4.685 1.00 54.05 ? 258 GLU A CB 1 ATOM 2060 C CG . GLU A 1 263 ? 219.279 73.489 -4.067 1.00 60.37 ? 258 GLU A CG 1 ATOM 2061 C CD . GLU A 1 263 ? 219.176 71.978 -4.071 1.00 74.14 ? 258 GLU A CD 1 ATOM 2062 O OE1 . GLU A 1 263 ? 218.096 71.457 -4.418 1.00 76.29 ? 258 GLU A OE1 1 ATOM 2063 O OE2 . GLU A 1 263 ? 220.175 71.311 -3.728 1.00 81.19 ? 258 GLU A OE2 1 ATOM 2064 N N . GLY A 1 264 ? 217.044 76.770 -6.496 1.00 61.86 ? 259 GLY A N 1 ATOM 2065 C CA . GLY A 1 264 ? 215.951 77.309 -7.281 1.00 58.54 ? 259 GLY A CA 1 ATOM 2066 C C . GLY A 1 264 ? 215.665 78.774 -7.016 1.00 65.94 ? 259 GLY A C 1 ATOM 2067 O O . GLY A 1 264 ? 214.709 79.327 -7.558 1.00 68.40 ? 259 GLY A O 1 ATOM 2068 N N . TYR A 1 265 ? 216.489 79.410 -6.187 1.00 57.50 ? 260 TYR A N 1 ATOM 2069 C CA . TYR A 1 265 ? 216.283 80.818 -5.857 1.00 61.49 ? 260 TYR A CA 1 ATOM 2070 C C . TYR A 1 265 ? 217.589 81.600 -5.766 1.00 56.47 ? 260 TYR A C 1 ATOM 2071 O O . TYR A 1 265 ? 218.599 81.089 -5.281 1.00 59.08 ? 260 TYR A O 1 ATOM 2072 C CB . TYR A 1 265 ? 215.515 80.951 -4.539 1.00 60.24 ? 260 TYR A CB 1 ATOM 2073 C CG . TYR A 1 265 ? 214.165 80.277 -4.557 1.00 56.60 ? 260 TYR A CG 1 ATOM 2074 C CD1 . TYR A 1 265 ? 213.046 80.932 -5.053 1.00 50.97 ? 260 TYR A CD1 1 ATOM 2075 C CD2 . TYR A 1 265 ? 214.012 78.981 -4.085 1.00 58.56 ? 260 TYR A CD2 1 ATOM 2076 C CE1 . TYR A 1 265 ? 211.814 80.315 -5.078 1.00 56.03 ? 260 TYR A CE1 1 ATOM 2077 C CE2 . TYR A 1 265 ? 212.785 78.357 -4.103 1.00 57.33 ? 260 TYR A CE2 1 ATOM 2078 C CZ . TYR A 1 265 ? 211.690 79.027 -4.600 1.00 58.17 ? 260 TYR A CZ 1 ATOM 2079 O OH . TYR A 1 265 ? 210.467 78.402 -4.619 1.00 57.29 ? 260 TYR A OH 1 ATOM 2080 N N . ARG A 1 266 ? 217.553 82.843 -6.238 1.00 60.53 ? 261 ARG A N 1 ATOM 2081 C CA . ARG A 1 266 ? 218.693 83.750 -6.150 1.00 64.88 ? 261 ARG A CA 1 ATOM 2082 C C . ARG A 1 266 ? 218.344 84.948 -5.268 1.00 71.96 ? 261 ARG A C 1 ATOM 2083 O O . ARG A 1 266 ? 217.378 84.901 -4.508 1.00 72.72 ? 261 ARG A O 1 ATOM 2084 C CB . ARG A 1 266 ? 219.125 84.215 -7.544 1.00 68.61 ? 261 ARG A CB 1 ATOM 2085 C CG . ARG A 1 266 ? 220.319 83.458 -8.137 1.00 74.14 ? 261 ARG A CG 1 ATOM 2086 C CD . ARG A 1 266 ? 220.434 82.047 -7.582 1.00 64.71 ? 261 ARG A CD 1 ATOM 2087 N NE . ARG A 1 266 ? 221.044 81.111 -8.520 1.00 58.16 ? 261 ARG A NE 1 ATOM 2088 C CZ . ARG A 1 266 ? 221.092 79.796 -8.330 1.00 56.11 ? 261 ARG A CZ 1 ATOM 2089 N NH1 . ARG A 1 266 ? 221.660 79.013 -9.235 1.00 67.86 ? 261 ARG A NH1 1 ATOM 2090 N NH2 . ARG A 1 266 ? 220.568 79.261 -7.236 1.00 65.72 ? 261 ARG A NH2 1 ATOM 2091 N N . THR A 1 267 ? 219.124 86.019 -5.378 1.00 67.51 ? 262 THR A N 1 ATOM 2092 C CA . THR A 1 267 ? 218.959 87.183 -4.510 1.00 59.35 ? 262 THR A CA 1 ATOM 2093 C C . THR A 1 267 ? 217.612 87.865 -4.684 1.00 62.53 ? 262 THR A C 1 ATOM 2094 O O . THR A 1 267 ? 217.196 88.170 -5.802 1.00 68.17 ? 262 THR A O 1 ATOM 2095 C CB . THR A 1 267 ? 220.060 88.228 -4.754 1.00 61.93 ? 262 THR A CB 1 ATOM 2096 O OG1 . THR A 1 267 ? 221.171 87.607 -5.402 1.00 71.21 ? 262 THR A OG1 1 ATOM 2097 C CG2 . THR A 1 267 ? 220.517 88.839 -3.441 1.00 54.59 ? 262 THR A CG2 1 ATOM 2098 N N . GLN A 1 268 ? 216.941 88.111 -3.566 1.00 62.43 ? 263 GLN A N 1 ATOM 2099 C CA . GLN A 1 268 ? 215.666 88.810 -3.580 1.00 65.32 ? 263 GLN A CA 1 ATOM 2100 C C . GLN A 1 268 ? 215.884 90.311 -3.464 1.00 64.37 ? 263 GLN A C 1 ATOM 2101 O O . GLN A 1 268 ? 215.385 90.947 -2.539 1.00 61.98 ? 263 GLN A O 1 ATOM 2102 C CB . GLN A 1 268 ? 214.770 88.314 -2.446 1.00 63.23 ? 263 GLN A CB 1 ATOM 2103 C CG . GLN A 1 268 ? 214.564 86.807 -2.435 1.00 67.46 ? 263 GLN A CG 1 ATOM 2104 C CD . GLN A 1 268 ? 213.880 86.302 -3.690 1.00 68.41 ? 263 GLN A CD 1 ATOM 2105 O OE1 . GLN A 1 268 ? 212.881 86.865 -4.137 1.00 73.00 ? 263 GLN A OE1 1 ATOM 2106 N NE2 . GLN A 1 268 ? 214.421 85.237 -4.270 1.00 63.70 ? 263 GLN A NE2 1 ATOM 2107 N N . MET A 1 269 ? 216.640 90.868 -4.407 1.00 60.35 ? 264 MET A N 1 ATOM 2108 C CA . MET A 1 269 ? 216.929 92.298 -4.426 1.00 61.73 ? 264 MET A CA 1 ATOM 2109 C C . MET A 1 269 ? 215.649 93.121 -4.410 1.00 64.18 ? 264 MET A C 1 ATOM 2110 O O . MET A 1 269 ? 215.578 94.166 -3.764 1.00 69.46 ? 264 MET A O 1 ATOM 2111 C CB . MET A 1 269 ? 217.761 92.662 -5.657 1.00 52.48 ? 264 MET A CB 1 ATOM 2112 C CG . MET A 1 269 ? 219.102 91.959 -5.728 1.00 65.08 ? 264 MET A CG 1 ATOM 2113 S SD . MET A 1 269 ? 220.199 92.455 -4.391 1.00 71.26 ? 264 MET A SD 1 ATOM 2114 C CE . MET A 1 269 ? 220.391 94.200 -4.737 1.00 51.00 ? 264 MET A CE 1 ATOM 2115 N N . LYS A 1 270 ? 214.638 92.638 -5.121 1.00 60.00 ? 265 LYS A N 1 ATOM 2116 C CA . LYS A 1 270 ? 213.369 93.343 -5.212 1.00 66.23 ? 265 LYS A CA 1 ATOM 2117 C C . LYS A 1 270 ? 212.293 92.680 -4.360 1.00 61.26 ? 265 LYS A C 1 ATOM 2118 O O . LYS A 1 270 ? 211.142 92.574 -4.776 1.00 66.22 ? 265 LYS A O 1 ATOM 2119 C CB . LYS A 1 270 ? 212.912 93.425 -6.668 1.00 72.62 ? 265 LYS A CB 1 ATOM 2120 C CG . LYS A 1 270 ? 213.914 94.106 -7.587 1.00 68.88 ? 265 LYS A CG 1 ATOM 2121 C CD . LYS A 1 270 ? 213.399 94.172 -9.014 1.00 75.57 ? 265 LYS A CD 1 ATOM 2122 C CE . LYS A 1 270 ? 214.440 94.765 -9.947 1.00 77.99 ? 265 LYS A CE 1 ATOM 2123 N NZ . LYS A 1 270 ? 213.947 94.837 -11.350 1.00 88.75 ? 265 LYS A NZ 1 ATOM 2124 N N . GLY A 1 271 ? 212.675 92.234 -3.167 1.00 60.31 ? 266 GLY A N 1 ATOM 2125 C CA . GLY A 1 271 ? 211.724 91.681 -2.221 1.00 57.10 ? 266 GLY A CA 1 ATOM 2126 C C . GLY A 1 271 ? 210.928 92.783 -1.545 1.00 54.13 ? 266 GLY A C 1 ATOM 2127 O O . GLY A 1 271 ? 211.245 93.960 -1.698 1.00 55.44 ? 266 GLY A O 1 ATOM 2128 N N . PRO A 1 272 ? 209.885 92.409 -0.790 1.00 55.10 ? 267 PRO A N 1 ATOM 2129 C CA . PRO A 1 272 ? 209.030 93.391 -0.113 1.00 58.96 ? 267 PRO A CA 1 ATOM 2130 C C . PRO A 1 272 ? 209.720 94.043 1.081 1.00 62.02 ? 267 PRO A C 1 ATOM 2131 O O . PRO A 1 272 ? 209.251 93.904 2.211 1.00 63.00 ? 267 PRO A O 1 ATOM 2132 C CB . PRO A 1 272 ? 207.834 92.553 0.341 1.00 55.99 ? 267 PRO A CB 1 ATOM 2133 C CG . PRO A 1 272 ? 208.395 91.187 0.522 1.00 56.93 ? 267 PRO A CG 1 ATOM 2134 C CD . PRO A 1 272 ? 209.445 91.026 -0.540 1.00 56.36 ? 267 PRO A CD 1 ATOM 2135 N N . TRP A 1 273 ? 210.812 94.758 0.827 1.00 63.48 ? 268 TRP A N 1 ATOM 2136 C CA . TRP A 1 273 ? 211.640 95.293 1.902 1.00 60.35 ? 268 TRP A CA 1 ATOM 2137 C C . TRP A 1 273 ? 211.110 96.618 2.446 1.00 65.77 ? 268 TRP A C 1 ATOM 2138 O O . TRP A 1 273 ? 211.780 97.286 3.234 1.00 66.90 ? 268 TRP A O 1 ATOM 2139 C CB . TRP A 1 273 ? 213.087 95.474 1.428 1.00 53.90 ? 268 TRP A CB 1 ATOM 2140 C CG . TRP A 1 273 ? 213.689 94.268 0.746 1.00 55.82 ? 268 TRP A CG 1 ATOM 2141 C CD1 . TRP A 1 273 ? 214.292 94.241 -0.477 1.00 58.83 ? 268 TRP A CD1 1 ATOM 2142 C CD2 . TRP A 1 273 ? 213.749 92.925 1.249 1.00 53.68 ? 268 TRP A CD2 1 ATOM 2143 N NE1 . TRP A 1 273 ? 214.723 92.969 -0.767 1.00 60.66 ? 268 TRP A NE1 1 ATOM 2144 C CE2 . TRP A 1 273 ? 214.400 92.143 0.276 1.00 58.89 ? 268 TRP A CE2 1 ATOM 2145 C CE3 . TRP A 1 273 ? 213.311 92.309 2.424 1.00 50.30 ? 268 TRP A CE3 1 ATOM 2146 C CZ2 . TRP A 1 273 ? 214.627 90.776 0.444 1.00 58.90 ? 268 TRP A CZ2 1 ATOM 2147 C CZ3 . TRP A 1 273 ? 213.539 90.953 2.589 1.00 54.96 ? 268 TRP A CZ3 1 ATOM 2148 C CH2 . TRP A 1 273 ? 214.189 90.202 1.604 1.00 50.46 ? 268 TRP A CH2 1 ATOM 2149 N N . HIS A 1 274 ? 209.910 96.998 2.023 1.00 71.85 ? 269 HIS A N 1 ATOM 2150 C CA . HIS A 1 274 ? 209.269 98.196 2.551 1.00 69.28 ? 269 HIS A CA 1 ATOM 2151 C C . HIS A 1 274 ? 208.450 97.836 3.786 1.00 70.15 ? 269 HIS A C 1 ATOM 2152 O O . HIS A 1 274 ? 207.997 98.711 4.522 1.00 74.02 ? 269 HIS A O 1 ATOM 2153 C CB . HIS A 1 274 ? 208.383 98.851 1.491 1.00 67.07 ? 269 HIS A CB 1 ATOM 2154 C CG . HIS A 1 274 ? 207.254 97.982 1.028 1.00 88.79 ? 269 HIS A CG 1 ATOM 2155 N ND1 . HIS A 1 274 ? 207.441 96.893 0.204 1.00 87.30 ? 269 HIS A ND1 1 ATOM 2156 C CD2 . HIS A 1 274 ? 205.924 98.042 1.276 1.00 93.27 ? 269 HIS A CD2 1 ATOM 2157 C CE1 . HIS A 1 274 ? 206.275 96.319 -0.036 1.00 84.99 ? 269 HIS A CE1 1 ATOM 2158 N NE2 . HIS A 1 274 ? 205.338 96.997 0.602 1.00 89.84 ? 269 HIS A NE2 1 ATOM 2159 N N . SER A 1 275 ? 208.276 96.536 4.005 1.00 62.22 ? 270 SER A N 1 ATOM 2160 C CA . SER A 1 275 ? 207.501 96.028 5.133 1.00 63.24 ? 270 SER A CA 1 ATOM 2161 C C . SER A 1 275 ? 208.146 96.366 6.473 1.00 63.62 ? 270 SER A C 1 ATOM 2162 O O . SER A 1 275 ? 209.367 96.465 6.581 1.00 62.64 ? 270 SER A O 1 ATOM 2163 C CB . SER A 1 275 ? 207.328 94.513 5.013 1.00 63.80 ? 270 SER A CB 1 ATOM 2164 O OG . SER A 1 275 ? 206.736 94.164 3.773 1.00 75.51 ? 270 SER A OG 1 ATOM 2165 N N . GLU A 1 276 ? 207.313 96.543 7.494 1.00 79.06 ? 271 GLU A N 1 ATOM 2166 C CA . GLU A 1 276 ? 207.798 96.811 8.842 1.00 75.67 ? 271 GLU A CA 1 ATOM 2167 C C . GLU A 1 276 ? 208.378 95.546 9.457 1.00 74.73 ? 271 GLU A C 1 ATOM 2168 O O . GLU A 1 276 ? 209.182 95.606 10.387 1.00 80.07 ? 271 GLU A O 1 ATOM 2169 C CB . GLU A 1 276 ? 206.672 97.355 9.726 1.00 71.67 ? 271 GLU A CB 1 ATOM 2170 C CG . GLU A 1 276 ? 206.081 98.676 9.255 1.00 79.02 ? 271 GLU A CG 1 ATOM 2171 C CD . GLU A 1 276 ? 207.021 99.849 9.469 1.00 94.39 ? 271 GLU A CD 1 ATOM 2172 O OE1 . GLU A 1 276 ? 207.971 99.717 10.270 1.00 94.21 ? 271 GLU A OE1 1 ATOM 2173 O OE2 . GLU A 1 276 ? 206.809 100.904 8.836 1.00 95.43 ? 271 GLU A OE2 1 ATOM 2174 N N . GLU A 1 277 ? 207.964 94.401 8.923 1.00 58.86 ? 272 GLU A N 1 ATOM 2175 C CA . GLU A 1 277 ? 208.336 93.107 9.476 1.00 58.57 ? 272 GLU A CA 1 ATOM 2176 C C . GLU A 1 277 ? 208.042 91.996 8.469 1.00 59.92 ? 272 GLU A C 1 ATOM 2177 O O . GLU A 1 277 ? 207.084 92.082 7.704 1.00 60.62 ? 272 GLU A O 1 ATOM 2178 C CB . GLU A 1 277 ? 207.588 92.863 10.789 1.00 58.08 ? 272 GLU A CB 1 ATOM 2179 C CG . GLU A 1 277 ? 207.899 91.547 11.475 1.00 69.00 ? 272 GLU A CG 1 ATOM 2180 C CD . GLU A 1 277 ? 207.129 91.376 12.770 1.00 77.90 ? 272 GLU A CD 1 ATOM 2181 O OE1 . GLU A 1 277 ? 206.398 92.314 13.156 1.00 74.41 ? 272 GLU A OE1 1 ATOM 2182 O OE2 . GLU A 1 277 ? 207.253 90.305 13.402 1.00 78.82 ? 272 GLU A OE2 1 ATOM 2183 N N . LEU A 1 278 ? 208.873 90.960 8.466 1.00 53.73 ? 273 LEU A N 1 ATOM 2184 C CA . LEU A 1 278 ? 208.727 89.863 7.517 1.00 56.39 ? 273 LEU A CA 1 ATOM 2185 C C . LEU A 1 278 ? 209.044 88.515 8.141 1.00 63.16 ? 273 LEU A C 1 ATOM 2186 O O . LEU A 1 278 ? 209.914 88.407 9.003 1.00 62.58 ? 273 LEU A O 1 ATOM 2187 C CB . LEU A 1 278 ? 209.640 90.072 6.304 1.00 59.65 ? 273 LEU A CB 1 ATOM 2188 C CG . LEU A 1 278 ? 209.242 91.090 5.238 1.00 64.26 ? 273 LEU A CG 1 ATOM 2189 C CD1 . LEU A 1 278 ? 210.332 91.195 4.189 1.00 55.70 ? 273 LEU A CD1 1 ATOM 2190 C CD2 . LEU A 1 278 ? 207.925 90.700 4.602 1.00 67.37 ? 273 LEU A CD2 1 ATOM 2191 N N . GLU A 1 279 ? 208.332 87.486 7.699 1.00 55.97 ? 274 GLU A N 1 ATOM 2192 C CA . GLU A 1 279 ? 208.741 86.118 7.968 1.00 60.53 ? 274 GLU A CA 1 ATOM 2193 C C . GLU A 1 279 ? 208.980 85.404 6.646 1.00 65.10 ? 274 GLU A C 1 ATOM 2194 O O . GLU A 1 279 ? 208.035 84.991 5.975 1.00 65.42 ? 274 GLU A O 1 ATOM 2195 C CB . GLU A 1 279 ? 207.698 85.364 8.794 1.00 60.06 ? 274 GLU A CB 1 ATOM 2196 C CG . GLU A 1 279 ? 208.113 83.928 9.109 1.00 66.26 ? 274 GLU A CG 1 ATOM 2197 C CD . GLU A 1 279 ? 206.988 83.094 9.693 1.00 81.59 ? 274 GLU A CD 1 ATOM 2198 O OE1 . GLU A 1 279 ? 205.921 83.662 10.005 1.00 88.80 ? 274 GLU A OE1 1 ATOM 2199 O OE2 . GLU A 1 279 ? 207.172 81.866 9.837 1.00 80.07 ? 274 GLU A OE2 1 ATOM 2200 N N . ILE A 1 280 ? 210.245 85.284 6.261 1.00 57.08 ? 275 ILE A N 1 ATOM 2201 C CA . ILE A 1 280 ? 210.598 84.508 5.083 1.00 60.42 ? 275 ILE A CA 1 ATOM 2202 C C . ILE A 1 280 ? 210.347 83.036 5.368 1.00 56.73 ? 275 ILE A C 1 ATOM 2203 O O . ILE A 1 280 ? 210.946 82.454 6.274 1.00 58.63 ? 275 ILE A O 1 ATOM 2204 C CB . ILE A 1 280 ? 212.062 84.717 4.668 1.00 56.28 ? 275 ILE A CB 1 ATOM 2205 C CG1 . ILE A 1 280 ? 212.313 86.188 4.339 1.00 48.53 ? 275 ILE A CG1 1 ATOM 2206 C CG2 . ILE A 1 280 ? 212.402 83.842 3.471 1.00 52.73 ? 275 ILE A CG2 1 ATOM 2207 C CD1 . ILE A 1 280 ? 213.750 86.499 3.996 1.00 51.87 ? 275 ILE A CD1 1 ATOM 2208 N N . ARG A 1 281 ? 209.448 82.446 4.592 1.00 64.63 ? 276 ARG A N 1 ATOM 2209 C CA . ARG A 1 281 ? 209.021 81.075 4.806 1.00 70.41 ? 276 ARG A CA 1 ATOM 2210 C C . ARG A 1 281 ? 208.933 80.352 3.470 1.00 71.01 ? 276 ARG A C 1 ATOM 2211 O O . ARG A 1 281 ? 208.607 80.958 2.449 1.00 72.75 ? 276 ARG A O 1 ATOM 2212 C CB . ARG A 1 281 ? 207.671 81.050 5.529 1.00 74.47 ? 276 ARG A CB 1 ATOM 2213 C CG . ARG A 1 281 ? 207.349 79.742 6.231 1.00 88.39 ? 276 ARG A CG 1 ATOM 2214 C CD . ARG A 1 281 ? 206.362 79.960 7.374 1.00 88.89 ? 276 ARG A CD 1 ATOM 2215 N NE . ARG A 1 281 ? 204.987 80.140 6.911 1.00 96.73 ? 276 ARG A NE 1 ATOM 2216 C CZ . ARG A 1 281 ? 204.003 80.628 7.662 1.00 103.72 ? 276 ARG A CZ 1 ATOM 2217 N NH1 . ARG A 1 281 ? 204.240 81.003 8.913 1.00 98.22 ? 276 ARG A NH1 1 ATOM 2218 N NH2 . ARG A 1 281 ? 202.780 80.753 7.161 1.00 104.35 ? 276 ARG A NH2 1 ATOM 2219 N N . PHE A 1 282 ? 209.243 79.061 3.475 1.00 60.98 ? 277 PHE A N 1 ATOM 2220 C CA . PHE A 1 282 ? 209.087 78.249 2.277 1.00 62.34 ? 277 PHE A CA 1 ATOM 2221 C C . PHE A 1 282 ? 207.798 77.448 2.373 1.00 66.13 ? 277 PHE A C 1 ATOM 2222 O O . PHE A 1 282 ? 207.778 76.311 2.847 1.00 65.56 ? 277 PHE A O 1 ATOM 2223 C CB . PHE A 1 282 ? 210.300 77.343 2.071 1.00 60.07 ? 277 PHE A CB 1 ATOM 2224 C CG . PHE A 1 282 ? 211.511 78.079 1.583 1.00 64.33 ? 277 PHE A CG 1 ATOM 2225 C CD1 . PHE A 1 282 ? 212.436 78.588 2.477 1.00 56.80 ? 277 PHE A CD1 1 ATOM 2226 C CD2 . PHE A 1 282 ? 211.707 78.292 0.228 1.00 63.09 ? 277 PHE A CD2 1 ATOM 2227 C CE1 . PHE A 1 282 ? 213.544 79.279 2.028 1.00 57.57 ? 277 PHE A CE1 1 ATOM 2228 C CE2 . PHE A 1 282 ? 212.811 78.981 -0.225 1.00 58.04 ? 277 PHE A CE2 1 ATOM 2229 C CZ . PHE A 1 282 ? 213.730 79.478 0.676 1.00 57.74 ? 277 PHE A CZ 1 ATOM 2230 N N . GLU A 1 283 ? 206.722 78.079 1.920 1.00 62.06 ? 278 GLU A N 1 ATOM 2231 C CA . GLU A 1 283 ? 205.373 77.547 2.033 1.00 61.13 ? 278 GLU A CA 1 ATOM 2232 C C . GLU A 1 283 ? 204.450 78.396 1.173 1.00 62.85 ? 278 GLU A C 1 ATOM 2233 O O . GLU A 1 283 ? 204.565 79.622 1.163 1.00 58.24 ? 278 GLU A O 1 ATOM 2234 C CB . GLU A 1 283 ? 204.911 77.547 3.491 1.00 62.39 ? 278 GLU A CB 1 ATOM 2235 C CG . GLU A 1 283 ? 203.446 77.209 3.697 1.00 59.45 ? 278 GLU A CG 1 ATOM 2236 C CD . GLU A 1 283 ? 203.043 77.268 5.158 1.00 73.90 ? 278 GLU A CD 1 ATOM 2237 O OE1 . GLU A 1 283 ? 201.907 76.864 5.481 1.00 87.00 ? 278 GLU A OE1 1 ATOM 2238 O OE2 . GLU A 1 283 ? 203.864 77.719 5.983 1.00 79.97 ? 278 GLU A OE2 1 ATOM 2239 N N . GLU A 1 284 ? 203.547 77.745 0.447 1.00 67.07 ? 279 GLU A N 1 ATOM 2240 C CA . GLU A 1 284 ? 202.633 78.445 -0.449 1.00 69.19 ? 279 GLU A CA 1 ATOM 2241 C C . GLU A 1 284 ? 201.787 79.481 0.284 1.00 63.05 ? 279 GLU A C 1 ATOM 2242 O O . GLU A 1 284 ? 201.334 79.246 1.403 1.00 63.72 ? 279 GLU A O 1 ATOM 2243 C CB . GLU A 1 284 ? 201.726 77.440 -1.166 1.00 68.76 ? 279 GLU A CB 1 ATOM 2244 C CG . GLU A 1 284 ? 202.404 76.729 -2.326 1.00 81.61 ? 279 GLU A CG 1 ATOM 2245 C CD . GLU A 1 284 ? 201.608 75.556 -2.855 1.00 88.86 ? 279 GLU A CD 1 ATOM 2246 O OE1 . GLU A 1 284 ? 201.775 75.214 -4.046 1.00 87.64 ? 279 GLU A OE1 1 ATOM 2247 O OE2 . GLU A 1 284 ? 200.825 74.969 -2.079 1.00 94.73 ? 279 GLU A OE2 1 ATOM 2248 N N . CYS A 1 285 ? 201.602 80.637 -0.346 1.00 49.45 ? 280 CYS A N 1 ATOM 2249 C CA . CYS A 1 285 ? 200.674 81.641 0.158 1.00 49.96 ? 280 CYS A CA 1 ATOM 2250 C C . CYS A 1 285 ? 199.268 81.052 0.198 1.00 56.51 ? 280 CYS A C 1 ATOM 2251 O O . CYS A 1 285 ? 198.870 80.337 -0.725 1.00 53.91 ? 280 CYS A O 1 ATOM 2252 C CB . CYS A 1 285 ? 200.698 82.898 -0.714 1.00 44.72 ? 280 CYS A CB 1 ATOM 2253 S SG . CYS A 1 285 ? 202.224 83.857 -0.628 1.00 72.05 ? 280 CYS A SG 1 ATOM 2254 N N . PRO A 1 286 ? 198.515 81.342 1.272 1.00 70.11 ? 281 PRO A N 1 ATOM 2255 C CA . PRO A 1 286 ? 197.158 80.811 1.445 1.00 67.17 ? 281 PRO A CA 1 ATOM 2256 C C . PRO A 1 286 ? 196.263 81.104 0.246 1.00 65.41 ? 281 PRO A C 1 ATOM 2257 O O . PRO A 1 286 ? 196.111 82.262 -0.139 1.00 62.33 ? 281 PRO A O 1 ATOM 2258 C CB . PRO A 1 286 ? 196.650 81.532 2.701 1.00 66.07 ? 281 PRO A CB 1 ATOM 2259 C CG . PRO A 1 286 ? 197.581 82.685 2.904 1.00 61.81 ? 281 PRO A CG 1 ATOM 2260 C CD . PRO A 1 286 ? 198.900 82.230 2.380 1.00 69.75 ? 281 PRO A CD 1 ATOM 2261 N N . GLY A 1 287 ? 195.701 80.054 -0.345 1.00 63.06 ? 282 GLY A N 1 ATOM 2262 C CA . GLY A 1 287 ? 194.818 80.198 -1.487 1.00 67.76 ? 282 GLY A CA 1 ATOM 2263 C C . GLY A 1 287 ? 195.538 80.263 -2.818 1.00 66.24 ? 282 GLY A C 1 ATOM 2264 O O . GLY A 1 287 ? 194.945 80.629 -3.832 1.00 70.92 ? 282 GLY A O 1 ATOM 2265 N N . THR A 1 288 ? 196.820 79.914 -2.817 1.00 67.26 ? 283 THR A N 1 ATOM 2266 C CA . THR A 1 288 ? 197.611 79.926 -4.042 1.00 62.53 ? 283 THR A CA 1 ATOM 2267 C C . THR A 1 288 ? 198.324 78.598 -4.262 1.00 61.47 ? 283 THR A C 1 ATOM 2268 O O . THR A 1 288 ? 198.547 77.835 -3.323 1.00 64.32 ? 283 THR A O 1 ATOM 2269 C CB . THR A 1 288 ? 198.668 81.049 -4.032 1.00 60.33 ? 283 THR A CB 1 ATOM 2270 O OG1 . THR A 1 288 ? 199.690 80.739 -3.077 1.00 61.75 ? 283 THR A OG1 1 ATOM 2271 C CG2 . THR A 1 288 ? 198.037 82.386 -3.680 1.00 62.65 ? 283 THR A CG2 1 ATOM 2272 N N . LYS A 1 289 ? 198.677 78.331 -5.515 1.00 68.92 ? 284 LYS A N 1 ATOM 2273 C CA . LYS A 1 289 ? 199.461 77.156 -5.873 1.00 75.27 ? 284 LYS A CA 1 ATOM 2274 C C . LYS A 1 289 ? 200.482 77.527 -6.939 1.00 78.57 ? 284 LYS A C 1 ATOM 2275 O O . LYS A 1 289 ? 200.153 78.204 -7.910 1.00 80.09 ? 284 LYS A O 1 ATOM 2276 C CB . LYS A 1 289 ? 198.558 76.026 -6.368 1.00 82.65 ? 284 LYS A CB 1 ATOM 2277 C CG . LYS A 1 289 ? 197.918 75.206 -5.257 1.00 92.71 ? 284 LYS A CG 1 ATOM 2278 C CD . LYS A 1 289 ? 196.444 74.970 -5.532 1.00 98.82 ? 284 LYS A CD 1 ATOM 2279 C CE . LYS A 1 289 ? 195.675 76.283 -5.506 1.00 98.20 ? 284 LYS A CE 1 ATOM 2280 N NZ . LYS A 1 289 ? 194.270 76.127 -5.971 1.00 100.67 ? 284 LYS A NZ 1 ATOM 2281 N N . VAL A 1 290 ? 201.722 77.090 -6.752 1.00 73.74 ? 285 VAL A N 1 ATOM 2282 C CA . VAL A 1 290 ? 202.785 77.413 -7.695 1.00 72.11 ? 285 VAL A CA 1 ATOM 2283 C C . VAL A 1 290 ? 203.169 76.189 -8.521 1.00 68.54 ? 285 VAL A C 1 ATOM 2284 O O . VAL A 1 290 ? 203.290 75.085 -7.992 1.00 65.05 ? 285 VAL A O 1 ATOM 2285 C CB . VAL A 1 290 ? 204.032 77.960 -6.972 1.00 70.45 ? 285 VAL A CB 1 ATOM 2286 C CG1 . VAL A 1 290 ? 205.041 78.491 -7.980 1.00 69.34 ? 285 VAL A CG1 1 ATOM 2287 C CG2 . VAL A 1 290 ? 203.637 79.056 -5.994 1.00 61.60 ? 285 VAL A CG2 1 ATOM 2288 N N . HIS A 1 291 ? 203.354 76.388 -9.822 1.00 81.89 ? 286 HIS A N 1 ATOM 2289 C CA . HIS A 1 291 ? 203.728 75.294 -10.709 1.00 80.29 ? 286 HIS A CA 1 ATOM 2290 C C . HIS A 1 291 ? 205.088 75.529 -11.356 1.00 81.72 ? 286 HIS A C 1 ATOM 2291 O O . HIS A 1 291 ? 205.330 76.576 -11.955 1.00 79.75 ? 286 HIS A O 1 ATOM 2292 C CB . HIS A 1 291 ? 202.666 75.100 -11.793 1.00 85.56 ? 286 HIS A CB 1 ATOM 2293 C CG . HIS A 1 291 ? 201.289 74.869 -11.254 1.00 95.40 ? 286 HIS A CG 1 ATOM 2294 N ND1 . HIS A 1 291 ? 200.351 75.874 -11.149 1.00 89.43 ? 286 HIS A ND1 1 ATOM 2295 C CD2 . HIS A 1 291 ? 200.692 73.748 -10.783 1.00 91.82 ? 286 HIS A CD2 1 ATOM 2296 C CE1 . HIS A 1 291 ? 199.236 75.382 -10.641 1.00 90.21 ? 286 HIS A CE1 1 ATOM 2297 N NE2 . HIS A 1 291 ? 199.417 74.094 -10.409 1.00 92.91 ? 286 HIS A NE2 1 ATOM 2298 N N . VAL A 1 292 ? 205.979 74.551 -11.233 1.00 73.70 ? 287 VAL A N 1 ATOM 2299 C CA . VAL A 1 292 ? 207.266 74.621 -11.911 1.00 75.71 ? 287 VAL A CA 1 ATOM 2300 C C . VAL A 1 292 ? 207.057 74.428 -13.410 1.00 76.88 ? 287 VAL A C 1 ATOM 2301 O O . VAL A 1 292 ? 206.883 73.305 -13.883 1.00 72.37 ? 287 VAL A O 1 ATOM 2302 C CB . VAL A 1 292 ? 208.256 73.567 -11.380 1.00 68.22 ? 287 VAL A CB 1 ATOM 2303 C CG1 . VAL A 1 292 ? 209.570 73.641 -12.143 1.00 67.70 ? 287 VAL A CG1 1 ATOM 2304 C CG2 . VAL A 1 292 ? 208.489 73.767 -9.892 1.00 64.31 ? 287 VAL A CG2 1 ATOM 2305 N N . GLU A 1 293 ? 207.057 75.534 -14.149 1.00 76.60 ? 288 GLU A N 1 ATOM 2306 C CA . GLU A 1 293 ? 206.799 75.498 -15.583 1.00 77.76 ? 288 GLU A CA 1 ATOM 2307 C C . GLU A 1 293 ? 207.799 76.351 -16.353 1.00 78.60 ? 288 GLU A C 1 ATOM 2308 O O . GLU A 1 293 ? 207.983 77.529 -16.051 1.00 80.62 ? 288 GLU A O 1 ATOM 2309 C CB . GLU A 1 293 ? 205.374 75.971 -15.877 1.00 83.96 ? 288 GLU A CB 1 ATOM 2310 C CG . GLU A 1 293 ? 204.297 75.142 -15.200 1.00 86.33 ? 288 GLU A CG 1 ATOM 2311 C CD . GLU A 1 293 ? 202.901 75.659 -15.473 1.00 92.42 ? 288 GLU A CD 1 ATOM 2312 O OE1 . GLU A 1 293 ? 202.746 76.879 -15.692 1.00 85.57 ? 288 GLU A OE1 1 ATOM 2313 O OE2 . GLU A 1 293 ? 201.957 74.841 -15.471 1.00 101.38 ? 288 GLU A OE2 1 ATOM 2314 N N . GLU A 1 294 ? 208.431 75.755 -17.359 1.00 87.00 ? 289 GLU A N 1 ATOM 2315 C CA . GLU A 1 294 ? 209.391 76.469 -18.196 1.00 94.18 ? 289 GLU A CA 1 ATOM 2316 C C . GLU A 1 294 ? 208.701 77.514 -19.071 1.00 91.71 ? 289 GLU A C 1 ATOM 2317 O O . GLU A 1 294 ? 209.361 78.313 -19.737 1.00 90.09 ? 289 GLU A O 1 ATOM 2318 C CB . GLU A 1 294 ? 210.174 75.485 -19.070 1.00 88.75 ? 289 GLU A CB 1 ATOM 2319 C CG . GLU A 1 294 ? 211.221 74.681 -18.314 1.00 95.68 ? 289 GLU A CG 1 ATOM 2320 C CD . GLU A 1 294 ? 211.728 73.489 -19.106 1.00 110.49 ? 289 GLU A CD 1 ATOM 2321 O OE1 . GLU A 1 294 ? 212.950 73.227 -19.077 1.00 98.15 ? 289 GLU A OE1 1 ATOM 2322 O OE2 . GLU A 1 294 ? 210.902 72.808 -19.749 1.00 113.73 ? 289 GLU A OE2 1 ATOM 2323 N N . THR A 1 295 ? 207.372 77.503 -19.060 1.00 81.15 ? 290 THR A N 1 ATOM 2324 C CA . THR A 1 295 ? 206.581 78.440 -19.845 1.00 78.71 ? 290 THR A CA 1 ATOM 2325 C C . THR A 1 295 ? 206.216 79.678 -19.032 1.00 77.49 ? 290 THR A C 1 ATOM 2326 O O . THR A 1 295 ? 205.552 80.586 -19.531 1.00 75.51 ? 290 THR A O 1 ATOM 2327 C CB . THR A 1 295 ? 205.290 77.783 -20.361 1.00 73.61 ? 290 THR A CB 1 ATOM 2328 O OG1 . THR A 1 295 ? 204.416 77.516 -19.258 1.00 89.78 ? 290 THR A OG1 1 ATOM 2329 C CG2 . THR A 1 295 ? 205.605 76.479 -21.075 1.00 79.87 ? 290 THR A CG2 1 ATOM 2330 N N . CYS A 1 296 ? 206.653 79.708 -17.777 1.00 76.86 ? 291 CYS A N 1 ATOM 2331 C CA . CYS A 1 296 ? 206.324 80.814 -16.886 1.00 72.52 ? 291 CYS A CA 1 ATOM 2332 C C . CYS A 1 296 ? 207.084 82.082 -17.253 1.00 64.32 ? 291 CYS A C 1 ATOM 2333 O O . CYS A 1 296 ? 207.970 82.064 -18.104 1.00 73.73 ? 291 CYS A O 1 ATOM 2334 C CB . CYS A 1 296 ? 206.617 80.436 -15.432 1.00 74.99 ? 291 CYS A CB 1 ATOM 2335 S SG . CYS A 1 296 ? 206.091 81.678 -14.222 1.00 75.62 ? 291 CYS A SG 1 ATOM 2336 N N . GLY A 1 297 ? 206.730 83.185 -16.604 1.00 83.01 ? 292 GLY A N 1 ATOM 2337 C CA . GLY A 1 297 ? 207.419 84.444 -16.812 1.00 91.16 ? 292 GLY A CA 1 ATOM 2338 C C . GLY A 1 297 ? 208.779 84.445 -16.141 1.00 91.31 ? 292 GLY A C 1 ATOM 2339 O O . GLY A 1 297 ? 209.141 83.491 -15.453 1.00 91.16 ? 292 GLY A O 1 ATOM 2340 N N . THR A 1 298 ? 209.533 85.520 -16.337 1.00 72.38 ? 293 THR A N 1 ATOM 2341 C CA . THR A 1 298 ? 210.877 85.619 -15.781 1.00 74.55 ? 293 THR A CA 1 ATOM 2342 C C . THR A 1 298 ? 210.880 86.313 -14.425 1.00 74.89 ? 293 THR A C 1 ATOM 2343 O O . THR A 1 298 ? 209.875 86.889 -14.011 1.00 78.45 ? 293 THR A O 1 ATOM 2344 C CB . THR A 1 298 ? 211.818 86.379 -16.729 1.00 73.16 ? 293 THR A CB 1 ATOM 2345 O OG1 . THR A 1 298 ? 211.239 87.648 -17.057 1.00 68.91 ? 293 THR A OG1 1 ATOM 2346 C CG2 . THR A 1 298 ? 212.040 85.587 -18.006 1.00 71.72 ? 293 THR A CG2 1 ATOM 2347 N N . ARG A 1 299 ? 212.019 86.249 -13.740 1.00 86.56 ? 294 ARG A N 1 ATOM 2348 C CA . ARG A 1 299 ? 212.196 86.920 -12.457 1.00 79.93 ? 294 ARG A CA 1 ATOM 2349 C C . ARG A 1 299 ? 211.908 88.412 -12.562 1.00 77.18 ? 294 ARG A C 1 ATOM 2350 O O . ARG A 1 299 ? 212.360 89.079 -13.492 1.00 87.86 ? 294 ARG A O 1 ATOM 2351 C CB . ARG A 1 299 ? 213.618 86.706 -11.931 1.00 84.84 ? 294 ARG A CB 1 ATOM 2352 C CG . ARG A 1 299 ? 213.913 85.289 -11.480 1.00 90.08 ? 294 ARG A CG 1 ATOM 2353 C CD . ARG A 1 299 ? 215.401 85.083 -11.216 1.00 98.34 ? 294 ARG A CD 1 ATOM 2354 N NE . ARG A 1 299 ? 215.937 86.013 -10.224 1.00 98.56 ? 294 ARG A NE 1 ATOM 2355 C CZ . ARG A 1 299 ? 216.699 87.063 -10.517 1.00 96.85 ? 294 ARG A CZ 1 ATOM 2356 N NH1 . ARG A 1 299 ? 217.143 87.853 -9.549 1.00 98.64 ? 294 ARG A NH1 1 ATOM 2357 N NH2 . ARG A 1 299 ? 217.018 87.324 -11.777 1.00 94.11 ? 294 ARG A NH2 1 ATOM 2358 N N . GLY A 1 300 ? 211.148 88.926 -11.604 1.00 60.30 ? 295 GLY A N 1 ATOM 2359 C CA . GLY A 1 300 ? 210.833 90.340 -11.546 1.00 58.65 ? 295 GLY A CA 1 ATOM 2360 C C . GLY A 1 300 ? 210.606 90.745 -10.106 1.00 56.28 ? 295 GLY A C 1 ATOM 2361 O O . GLY A 1 300 ? 210.833 89.942 -9.203 1.00 58.45 ? 295 GLY A O 1 ATOM 2362 N N . PRO A 1 301 ? 210.159 91.990 -9.882 1.00 63.32 ? 296 PRO A N 1 ATOM 2363 C CA . PRO A 1 301 ? 209.861 92.475 -8.530 1.00 70.67 ? 296 PRO A CA 1 ATOM 2364 C C . PRO A 1 301 ? 208.927 91.528 -7.783 1.00 65.77 ? 296 PRO A C 1 ATOM 2365 O O . PRO A 1 301 ? 208.026 90.954 -8.395 1.00 61.12 ? 296 PRO A O 1 ATOM 2366 C CB . PRO A 1 301 ? 209.188 93.828 -8.782 1.00 63.61 ? 296 PRO A CB 1 ATOM 2367 C CG . PRO A 1 301 ? 209.736 94.274 -10.092 1.00 66.94 ? 296 PRO A CG 1 ATOM 2368 C CD . PRO A 1 301 ? 209.917 93.023 -10.905 1.00 64.12 ? 296 PRO A CD 1 ATOM 2369 N N . SER A 1 302 ? 209.155 91.357 -6.484 1.00 69.29 ? 297 SER A N 1 ATOM 2370 C CA . SER A 1 302 ? 208.331 90.471 -5.674 1.00 65.35 ? 297 SER A CA 1 ATOM 2371 C C . SER A 1 302 ? 206.874 90.917 -5.698 1.00 69.92 ? 297 SER A C 1 ATOM 2372 O O . SER A 1 302 ? 206.563 92.080 -5.437 1.00 70.14 ? 297 SER A O 1 ATOM 2373 C CB . SER A 1 302 ? 208.843 90.420 -4.235 1.00 58.98 ? 297 SER A CB 1 ATOM 2374 O OG . SER A 1 302 ? 208.031 89.575 -3.440 1.00 65.45 ? 297 SER A OG 1 ATOM 2375 N N . LEU A 1 303 ? 205.985 89.986 -6.024 1.00 68.09 ? 298 LEU A N 1 ATOM 2376 C CA . LEU A 1 303 ? 204.566 90.295 -6.129 1.00 67.71 ? 298 LEU A CA 1 ATOM 2377 C C . LEU A 1 303 ? 203.800 89.811 -4.905 1.00 64.29 ? 298 LEU A C 1 ATOM 2378 O O . LEU A 1 303 ? 204.101 88.755 -4.348 1.00 64.87 ? 298 LEU A O 1 ATOM 2379 C CB . LEU A 1 303 ? 203.982 89.673 -7.397 1.00 64.04 ? 298 LEU A CB 1 ATOM 2380 C CG . LEU A 1 303 ? 204.637 90.142 -8.696 1.00 64.91 ? 298 LEU A CG 1 ATOM 2381 C CD1 . LEU A 1 303 ? 204.089 89.382 -9.875 1.00 63.32 ? 298 LEU A CD1 1 ATOM 2382 C CD2 . LEU A 1 303 ? 204.418 91.626 -8.886 1.00 66.04 ? 298 LEU A CD2 1 ATOM 2383 N N . ARG A 1 304 ? 202.814 90.595 -4.484 1.00 62.76 ? 299 ARG A N 1 ATOM 2384 C CA . ARG A 1 304 ? 201.950 90.195 -3.384 1.00 65.87 ? 299 ARG A CA 1 ATOM 2385 C C . ARG A 1 304 ? 200.849 89.285 -3.915 1.00 65.48 ? 299 ARG A C 1 ATOM 2386 O O . ARG A 1 304 ? 200.410 89.432 -5.056 1.00 62.89 ? 299 ARG A O 1 ATOM 2387 C CB . ARG A 1 304 ? 201.354 91.420 -2.686 1.00 65.80 ? 299 ARG A CB 1 ATOM 2388 C CG . ARG A 1 304 ? 200.766 91.122 -1.316 1.00 67.30 ? 299 ARG A CG 1 ATOM 2389 C CD . ARG A 1 304 ? 200.241 92.379 -0.649 1.00 65.80 ? 299 ARG A CD 1 ATOM 2390 N NE . ARG A 1 304 ? 199.090 92.928 -1.358 1.00 77.62 ? 299 ARG A NE 1 ATOM 2391 C CZ . ARG A 1 304 ? 198.427 94.015 -0.977 1.00 80.74 ? 299 ARG A CZ 1 ATOM 2392 N NH1 . ARG A 1 304 ? 198.803 94.678 0.109 1.00 78.25 ? 299 ARG A NH1 1 ATOM 2393 N NH2 . ARG A 1 304 ? 197.390 94.441 -1.684 1.00 80.14 ? 299 ARG A NH2 1 ATOM 2394 N N . SER A 1 305 ? 200.406 88.345 -3.087 1.00 58.46 ? 300 SER A N 1 ATOM 2395 C CA . SER A 1 305 ? 199.409 87.365 -3.504 1.00 61.11 ? 300 SER A CA 1 ATOM 2396 C C . SER A 1 305 ? 198.003 87.953 -3.557 1.00 62.67 ? 300 SER A C 1 ATOM 2397 O O . SER A 1 305 ? 197.031 87.235 -3.780 1.00 60.37 ? 300 SER A O 1 ATOM 2398 C CB . SER A 1 305 ? 199.427 86.158 -2.567 1.00 50.45 ? 300 SER A CB 1 ATOM 2399 O OG . SER A 1 305 ? 199.198 86.558 -1.227 1.00 55.36 ? 300 SER A OG 1 ATOM 2400 N N . THR A 1 306 ? 197.899 89.259 -3.344 1.00 65.85 ? 301 THR A N 1 ATOM 2401 C CA . THR A 1 306 ? 196.611 89.934 -3.402 1.00 64.41 ? 301 THR A CA 1 ATOM 2402 C C . THR A 1 306 ? 196.680 91.208 -4.233 1.00 76.50 ? 301 THR A C 1 ATOM 2403 O O . THR A 1 306 ? 197.652 91.961 -4.155 1.00 80.50 ? 301 THR A O 1 ATOM 2404 C CB . THR A 1 306 ? 196.096 90.287 -1.994 1.00 67.14 ? 301 THR A CB 1 ATOM 2405 O OG1 . THR A 1 306 ? 197.110 91.006 -1.281 1.00 80.21 ? 301 THR A OG1 1 ATOM 2406 C CG2 . THR A 1 306 ? 195.738 89.028 -1.223 1.00 60.38 ? 301 THR A CG2 1 ATOM 2407 N N . THR A 1 307 ? 195.645 91.441 -5.034 1.00 74.49 ? 302 THR A N 1 ATOM 2408 C CA . THR A 1 307 ? 195.502 92.705 -5.745 1.00 75.51 ? 302 THR A CA 1 ATOM 2409 C C . THR A 1 307 ? 195.326 93.834 -4.737 1.00 79.23 ? 302 THR A C 1 ATOM 2410 O O . THR A 1 307 ? 194.960 93.594 -3.586 1.00 81.22 ? 302 THR A O 1 ATOM 2411 C CB . THR A 1 307 ? 194.300 92.691 -6.709 1.00 84.26 ? 302 THR A CB 1 ATOM 2412 O OG1 . THR A 1 307 ? 193.083 92.570 -5.961 1.00 84.52 ? 302 THR A OG1 1 ATOM 2413 C CG2 . THR A 1 307 ? 194.409 91.533 -7.688 1.00 71.53 ? 302 THR A CG2 1 ATOM 2414 N N . ALA A 1 308 ? 195.588 95.063 -5.169 1.00 91.64 ? 303 ALA A N 1 ATOM 2415 C CA . ALA A 1 308 ? 195.422 96.224 -4.301 1.00 93.90 ? 303 ALA A CA 1 ATOM 2416 C C . ALA A 1 308 ? 193.973 96.347 -3.841 1.00 99.23 ? 303 ALA A C 1 ATOM 2417 O O . ALA A 1 308 ? 193.696 96.830 -2.742 1.00 96.96 ? 303 ALA A O 1 ATOM 2418 C CB . ALA A 1 308 ? 195.865 97.488 -5.013 1.00 100.50 ? 303 ALA A CB 1 ATOM 2419 N N . SER A 1 309 ? 193.051 95.903 -4.691 1.00 93.84 ? 304 SER A N 1 ATOM 2420 C CA . SER A 1 309 ? 191.640 95.861 -4.336 1.00 88.04 ? 304 SER A CA 1 ATOM 2421 C C . SER A 1 309 ? 191.409 94.884 -3.181 1.00 88.51 ? 304 SER A C 1 ATOM 2422 O O . SER A 1 309 ? 190.556 95.115 -2.325 1.00 92.68 ? 304 SER A O 1 ATOM 2423 C CB . SER A 1 309 ? 190.794 95.475 -5.551 1.00 93.66 ? 304 SER A CB 1 ATOM 2424 O OG . SER A 1 309 ? 191.180 94.211 -6.065 1.00 96.25 ? 304 SER A OG 1 ATOM 2425 N N . GLY A 1 310 ? 192.177 93.796 -3.160 1.00 82.85 ? 305 GLY A N 1 ATOM 2426 C CA . GLY A 1 310 ? 192.138 92.856 -2.053 1.00 70.99 ? 305 GLY A CA 1 ATOM 2427 C C . GLY A 1 310 ? 191.854 91.410 -2.422 1.00 68.59 ? 305 GLY A C 1 ATOM 2428 O O . GLY A 1 310 ? 191.535 90.601 -1.552 1.00 66.03 ? 305 GLY A O 1 ATOM 2429 N N . ARG A 1 311 ? 191.980 91.076 -3.703 1.00 63.29 ? 306 ARG A N 1 ATOM 2430 C CA . ARG A 1 311 ? 191.632 89.736 -4.174 1.00 71.55 ? 306 ARG A CA 1 ATOM 2431 C C . ARG A 1 311 ? 192.839 88.816 -4.331 1.00 72.55 ? 306 ARG A C 1 ATOM 2432 O O . ARG A 1 311 ? 193.886 89.224 -4.828 1.00 74.38 ? 306 ARG A O 1 ATOM 2433 C CB . ARG A 1 311 ? 190.888 89.814 -5.508 1.00 77.63 ? 306 ARG A CB 1 ATOM 2434 C CG . ARG A 1 311 ? 190.315 88.479 -5.960 1.00 71.64 ? 306 ARG A CG 1 ATOM 2435 C CD . ARG A 1 311 ? 189.637 88.577 -7.313 1.00 80.62 ? 306 ARG A CD 1 ATOM 2436 N NE . ARG A 1 311 ? 190.590 88.486 -8.414 1.00 89.08 ? 306 ARG A NE 1 ATOM 2437 C CZ . ARG A 1 311 ? 191.140 89.533 -9.019 1.00 88.50 ? 306 ARG A CZ 1 ATOM 2438 N NH1 . ARG A 1 311 ? 191.997 89.348 -10.015 1.00 85.79 ? 306 ARG A NH1 1 ATOM 2439 N NH2 . ARG A 1 311 ? 190.834 90.765 -8.632 1.00 84.05 ? 306 ARG A NH2 1 ATOM 2440 N N . VAL A 1 312 ? 192.669 87.564 -3.921 1.00 72.09 ? 307 VAL A N 1 ATOM 2441 C CA . VAL A 1 312 ? 193.711 86.554 -4.051 1.00 65.36 ? 307 VAL A CA 1 ATOM 2442 C C . VAL A 1 312 ? 193.888 86.085 -5.491 1.00 71.04 ? 307 VAL A C 1 ATOM 2443 O O . VAL A 1 312 ? 192.937 85.630 -6.124 1.00 78.61 ? 307 VAL A O 1 ATOM 2444 C CB . VAL A 1 312 ? 193.408 85.322 -3.176 1.00 65.20 ? 307 VAL A CB 1 ATOM 2445 C CG1 . VAL A 1 312 ? 194.389 84.199 -3.473 1.00 66.36 ? 307 VAL A CG1 1 ATOM 2446 C CG2 . VAL A 1 312 ? 193.442 85.694 -1.710 1.00 63.54 ? 307 VAL A CG2 1 ATOM 2447 N N . ILE A 1 313 ? 195.110 86.202 -6.003 1.00 66.30 ? 308 ILE A N 1 ATOM 2448 C CA . ILE A 1 313 ? 195.469 85.578 -7.269 1.00 61.46 ? 308 ILE A CA 1 ATOM 2449 C C . ILE A 1 313 ? 195.790 84.117 -6.988 1.00 59.99 ? 308 ILE A C 1 ATOM 2450 O O . ILE A 1 313 ? 196.723 83.814 -6.248 1.00 64.55 ? 308 ILE A O 1 ATOM 2451 C CB . ILE A 1 313 ? 196.672 86.265 -7.939 1.00 57.47 ? 308 ILE A CB 1 ATOM 2452 C CG1 . ILE A 1 313 ? 196.336 87.712 -8.306 1.00 66.98 ? 308 ILE A CG1 1 ATOM 2453 C CG2 . ILE A 1 313 ? 197.109 85.492 -9.173 1.00 62.72 ? 308 ILE A CG2 1 ATOM 2454 C CD1 . ILE A 1 313 ? 196.626 88.715 -7.207 1.00 76.46 ? 308 ILE A CD1 1 ATOM 2455 N N . GLU A 1 314 ? 195.016 83.211 -7.573 1.00 63.16 ? 309 GLU A N 1 ATOM 2456 C CA . GLU A 1 314 ? 195.042 81.816 -7.146 1.00 66.02 ? 309 GLU A CA 1 ATOM 2457 C C . GLU A 1 314 ? 196.133 80.967 -7.794 1.00 60.24 ? 309 GLU A C 1 ATOM 2458 O O . GLU A 1 314 ? 196.571 79.981 -7.207 1.00 60.58 ? 309 GLU A O 1 ATOM 2459 C CB . GLU A 1 314 ? 193.680 81.170 -7.407 1.00 64.41 ? 309 GLU A CB 1 ATOM 2460 C CG . GLU A 1 314 ? 192.530 81.849 -6.681 1.00 76.68 ? 309 GLU A CG 1 ATOM 2461 C CD . GLU A 1 314 ? 191.229 81.081 -6.801 1.00 82.69 ? 309 GLU A CD 1 ATOM 2462 O OE1 . GLU A 1 314 ? 191.266 79.910 -7.236 1.00 89.80 ? 309 GLU A OE1 1 ATOM 2463 O OE2 . GLU A 1 314 ? 190.170 81.648 -6.459 1.00 80.27 ? 309 GLU A OE2 1 ATOM 2464 N N . GLU A 1 315 ? 196.575 81.338 -8.990 1.00 69.15 ? 310 GLU A N 1 ATOM 2465 C CA . GLU A 1 315 ? 197.512 80.491 -9.728 1.00 74.74 ? 310 GLU A CA 1 ATOM 2466 C C . GLU A 1 315 ? 198.846 81.172 -10.043 1.00 75.67 ? 310 GLU A C 1 ATOM 2467 O O . GLU A 1 315 ? 198.888 82.222 -10.685 1.00 74.68 ? 310 GLU A O 1 ATOM 2468 C CB . GLU A 1 315 ? 196.860 80.007 -11.024 1.00 77.04 ? 310 GLU A CB 1 ATOM 2469 C CG . GLU A 1 315 ? 195.723 79.019 -10.808 1.00 82.48 ? 310 GLU A CG 1 ATOM 2470 C CD . GLU A 1 315 ? 196.155 77.579 -11.002 1.00 93.90 ? 310 GLU A CD 1 ATOM 2471 O OE1 . GLU A 1 315 ? 196.352 77.170 -12.167 1.00 102.72 ? 310 GLU A OE1 1 ATOM 2472 O OE2 . GLU A 1 315 ? 196.295 76.854 -9.994 1.00 92.86 ? 310 GLU A OE2 1 ATOM 2473 N N . TRP A 1 316 ? 199.932 80.549 -9.590 1.00 70.72 ? 311 TRP A N 1 ATOM 2474 C CA . TRP A 1 316 ? 201.286 81.052 -9.812 1.00 66.36 ? 311 TRP A CA 1 ATOM 2475 C C . TRP A 1 316 ? 202.192 79.966 -10.408 1.00 70.79 ? 311 TRP A C 1 ATOM 2476 O O . TRP A 1 316 ? 201.824 78.790 -10.458 1.00 71.48 ? 311 TRP A O 1 ATOM 2477 C CB . TRP A 1 316 ? 201.884 81.580 -8.503 1.00 60.51 ? 311 TRP A CB 1 ATOM 2478 C CG . TRP A 1 316 ? 201.121 82.727 -7.895 1.00 59.13 ? 311 TRP A CG 1 ATOM 2479 C CD1 . TRP A 1 316 ? 199.878 82.678 -7.330 1.00 58.32 ? 311 TRP A CD1 1 ATOM 2480 C CD2 . TRP A 1 316 ? 201.561 84.088 -7.776 1.00 60.73 ? 311 TRP A CD2 1 ATOM 2481 N NE1 . TRP A 1 316 ? 199.513 83.923 -6.878 1.00 55.70 ? 311 TRP A NE1 1 ATOM 2482 C CE2 . TRP A 1 316 ? 200.527 84.806 -7.139 1.00 59.52 ? 311 TRP A CE2 1 ATOM 2483 C CE3 . TRP A 1 316 ? 202.724 84.768 -8.148 1.00 53.70 ? 311 TRP A CE3 1 ATOM 2484 C CZ2 . TRP A 1 316 ? 200.624 86.171 -6.866 1.00 59.10 ? 311 TRP A CZ2 1 ATOM 2485 C CZ3 . TRP A 1 316 ? 202.817 86.123 -7.878 1.00 55.15 ? 311 TRP A CZ3 1 ATOM 2486 C CH2 . TRP A 1 316 ? 201.773 86.809 -7.243 1.00 60.63 ? 311 TRP A CH2 1 ATOM 2487 N N . CYS A 1 317 ? 203.380 80.372 -10.847 1.00 70.93 ? 312 CYS A N 1 ATOM 2488 C CA . CYS A 1 317 ? 204.314 79.480 -11.527 1.00 73.67 ? 312 CYS A CA 1 ATOM 2489 C C . CYS A 1 317 ? 205.754 79.983 -11.422 1.00 68.95 ? 312 CYS A C 1 ATOM 2490 O O . CYS A 1 317 ? 205.993 81.125 -11.028 1.00 59.85 ? 312 CYS A O 1 ATOM 2491 C CB . CYS A 1 317 ? 203.932 79.335 -13.001 1.00 69.76 ? 312 CYS A CB 1 ATOM 2492 S SG . CYS A 1 317 ? 204.257 80.822 -13.981 1.00 86.66 ? 312 CYS A SG 1 ATOM 2493 N N . CYS A 1 318 ? 206.709 79.136 -11.796 1.00 65.18 ? 313 CYS A N 1 ATOM 2494 C CA . CYS A 1 318 ? 208.119 79.528 -11.812 1.00 69.95 ? 313 CYS A CA 1 ATOM 2495 C C . CYS A 1 318 ? 208.906 78.727 -12.848 1.00 68.77 ? 313 CYS A C 1 ATOM 2496 O O . CYS A 1 318 ? 208.618 77.554 -13.083 1.00 68.98 ? 313 CYS A O 1 ATOM 2497 C CB . CYS A 1 318 ? 208.745 79.353 -10.427 1.00 51.97 ? 313 CYS A CB 1 ATOM 2498 S SG . CYS A 1 318 ? 208.826 77.639 -9.868 1.00 66.23 ? 313 CYS A SG 1 ATOM 2499 N N . ARG A 1 319 ? 209.900 79.367 -13.458 1.00 63.93 ? 314 ARG A N 1 ATOM 2500 C CA . ARG A 1 319 ? 210.692 78.744 -14.517 1.00 61.66 ? 314 ARG A CA 1 ATOM 2501 C C . ARG A 1 319 ? 211.410 77.481 -14.051 1.00 67.86 ? 314 ARG A C 1 ATOM 2502 O O . ARG A 1 319 ? 211.302 76.427 -14.678 1.00 69.15 ? 314 ARG A O 1 ATOM 2503 C CB . ARG A 1 319 ? 211.717 79.739 -15.064 1.00 68.23 ? 314 ARG A CB 1 ATOM 2504 C CG . ARG A 1 319 ? 211.110 80.987 -15.675 1.00 65.75 ? 314 ARG A CG 1 ATOM 2505 C CD . ARG A 1 319 ? 210.644 80.731 -17.093 1.00 79.18 ? 314 ARG A CD 1 ATOM 2506 N NE . ARG A 1 319 ? 211.607 81.208 -18.082 1.00 89.59 ? 314 ARG A NE 1 ATOM 2507 C CZ . ARG A 1 319 ? 211.386 82.222 -18.912 1.00 86.09 ? 314 ARG A CZ 1 ATOM 2508 N NH1 . ARG A 1 319 ? 212.320 82.589 -19.777 1.00 91.98 ? 314 ARG A NH1 1 ATOM 2509 N NH2 . ARG A 1 319 ? 210.228 82.867 -18.883 1.00 88.15 ? 314 ARG A NH2 1 ATOM 2510 N N . GLU A 1 320 ? 212.141 77.591 -12.946 1.00 75.17 ? 315 GLU A N 1 ATOM 2511 C CA . GLU A 1 320 ? 212.987 76.497 -12.487 1.00 73.33 ? 315 GLU A CA 1 ATOM 2512 C C . GLU A 1 320 ? 213.227 76.537 -10.982 1.00 72.51 ? 315 GLU A C 1 ATOM 2513 O O . GLU A 1 320 ? 214.215 75.987 -10.494 1.00 73.16 ? 315 GLU A O 1 ATOM 2514 C CB . GLU A 1 320 ? 214.327 76.536 -13.221 1.00 64.56 ? 315 GLU A CB 1 ATOM 2515 C CG . GLU A 1 320 ? 215.096 77.821 -12.978 1.00 70.60 ? 315 GLU A CG 1 ATOM 2516 C CD . GLU A 1 320 ? 216.243 78.016 -13.942 1.00 73.09 ? 315 GLU A CD 1 ATOM 2517 O OE1 . GLU A 1 320 ? 216.772 77.010 -14.458 1.00 79.86 ? 315 GLU A OE1 1 ATOM 2518 O OE2 . GLU A 1 320 ? 216.611 79.183 -14.187 1.00 75.97 ? 315 GLU A OE2 1 ATOM 2519 N N . CYS A 1 321 ? 212.332 77.187 -10.245 1.00 66.54 ? 316 CYS A N 1 ATOM 2520 C CA . CYS A 1 321 ? 212.467 77.254 -8.793 1.00 66.37 ? 316 CYS A CA 1 ATOM 2521 C C . CYS A 1 321 ? 212.083 75.919 -8.161 1.00 67.65 ? 316 CYS A C 1 ATOM 2522 O O . CYS A 1 321 ? 211.743 74.966 -8.864 1.00 68.41 ? 316 CYS A O 1 ATOM 2523 C CB . CYS A 1 321 ? 211.614 78.386 -8.214 1.00 62.30 ? 316 CYS A CB 1 ATOM 2524 S SG . CYS A 1 321 ? 209.840 78.057 -8.161 1.00 81.64 ? 316 CYS A SG 1 ATOM 2525 N N . THR A 1 322 ? 212.139 75.850 -6.835 1.00 59.48 ? 317 THR A N 1 ATOM 2526 C CA . THR A 1 322 ? 211.832 74.610 -6.134 1.00 62.31 ? 317 THR A CA 1 ATOM 2527 C C . THR A 1 322 ? 210.649 74.762 -5.179 1.00 65.06 ? 317 THR A C 1 ATOM 2528 O O . THR A 1 322 ? 210.287 75.873 -4.794 1.00 64.88 ? 317 THR A O 1 ATOM 2529 C CB . THR A 1 322 ? 213.048 74.106 -5.347 1.00 59.96 ? 317 THR A CB 1 ATOM 2530 O OG1 . THR A 1 322 ? 213.456 75.109 -4.408 1.00 70.66 ? 317 THR A OG1 1 ATOM 2531 C CG2 . THR A 1 322 ? 214.198 73.803 -6.294 1.00 51.02 ? 317 THR A CG2 1 ATOM 2532 N N . MET A 1 323 ? 210.053 73.633 -4.806 1.00 61.42 ? 318 MET A N 1 ATOM 2533 C CA . MET A 1 323 ? 208.922 73.617 -3.883 1.00 55.95 ? 318 MET A CA 1 ATOM 2534 C C . MET A 1 323 ? 209.349 73.067 -2.525 1.00 54.65 ? 318 MET A C 1 ATOM 2535 O O . MET A 1 323 ? 210.158 72.143 -2.462 1.00 63.48 ? 318 MET A O 1 ATOM 2536 C CB . MET A 1 323 ? 207.774 72.781 -4.456 1.00 59.12 ? 318 MET A CB 1 ATOM 2537 C CG . MET A 1 323 ? 207.171 73.340 -5.733 1.00 47.11 ? 318 MET A CG 1 ATOM 2538 S SD . MET A 1 323 ? 206.356 74.926 -5.470 1.00 67.48 ? 318 MET A SD 1 ATOM 2539 C CE . MET A 1 323 ? 207.269 75.964 -6.608 1.00 66.40 ? 318 MET A CE 1 ATOM 2540 N N . PRO A 1 324 ? 208.806 73.623 -1.427 1.00 56.22 ? 319 PRO A N 1 ATOM 2541 C CA . PRO A 1 324 ? 207.820 74.709 -1.332 1.00 55.20 ? 319 PRO A CA 1 ATOM 2542 C C . PRO A 1 324 ? 208.375 76.060 -1.770 1.00 60.08 ? 319 PRO A C 1 ATOM 2543 O O . PRO A 1 324 ? 209.583 76.278 -1.684 1.00 69.01 ? 319 PRO A O 1 ATOM 2544 C CB . PRO A 1 324 ? 207.465 74.732 0.162 1.00 54.30 ? 319 PRO A CB 1 ATOM 2545 C CG . PRO A 1 324 ? 207.904 73.412 0.692 1.00 54.21 ? 319 PRO A CG 1 ATOM 2546 C CD . PRO A 1 324 ? 209.116 73.064 -0.102 1.00 51.64 ? 319 PRO A CD 1 ATOM 2547 N N . PRO A 1 325 ? 207.498 76.960 -2.236 1.00 65.76 ? 320 PRO A N 1 ATOM 2548 C CA . PRO A 1 325 ? 207.924 78.232 -2.823 1.00 63.39 ? 320 PRO A CA 1 ATOM 2549 C C . PRO A 1 325 ? 208.392 79.261 -1.799 1.00 69.13 ? 320 PRO A C 1 ATOM 2550 O O . PRO A 1 325 ? 207.923 79.276 -0.661 1.00 68.67 ? 320 PRO A O 1 ATOM 2551 C CB . PRO A 1 325 ? 206.661 78.719 -3.530 1.00 62.77 ? 320 PRO A CB 1 ATOM 2552 C CG . PRO A 1 325 ? 205.566 78.188 -2.696 1.00 63.87 ? 320 PRO A CG 1 ATOM 2553 C CD . PRO A 1 325 ? 206.030 76.828 -2.239 1.00 66.69 ? 320 PRO A CD 1 ATOM 2554 N N . LEU A 1 326 ? 209.318 80.115 -2.220 1.00 69.64 ? 321 LEU A N 1 ATOM 2555 C CA . LEU A 1 326 ? 209.798 81.207 -1.388 1.00 67.74 ? 321 LEU A CA 1 ATOM 2556 C C . LEU A 1 326 ? 208.691 82.239 -1.209 1.00 69.35 ? 321 LEU A C 1 ATOM 2557 O O . LEU A 1 326 ? 208.119 82.720 -2.189 1.00 70.02 ? 321 LEU A O 1 ATOM 2558 C CB . LEU A 1 326 ? 211.036 81.853 -2.017 1.00 64.63 ? 321 LEU A CB 1 ATOM 2559 C CG . LEU A 1 326 ? 212.086 82.559 -1.151 1.00 62.71 ? 321 LEU A CG 1 ATOM 2560 C CD1 . LEU A 1 326 ? 213.205 83.085 -2.035 1.00 68.51 ? 321 LEU A CD1 1 ATOM 2561 C CD2 . LEU A 1 326 ? 211.500 83.688 -0.322 1.00 54.18 ? 321 LEU A CD2 1 ATOM 2562 N N . SER A 1 327 ? 208.392 82.581 0.039 1.00 52.22 ? 322 SER A N 1 ATOM 2563 C CA . SER A 1 327 ? 207.386 83.600 0.311 1.00 61.47 ? 322 SER A CA 1 ATOM 2564 C C . SER A 1 327 ? 207.756 84.464 1.513 1.00 58.12 ? 322 SER A C 1 ATOM 2565 O O . SER A 1 327 ? 208.510 84.043 2.385 1.00 54.32 ? 322 SER A O 1 ATOM 2566 C CB . SER A 1 327 ? 206.020 82.951 0.531 1.00 54.73 ? 322 SER A CB 1 ATOM 2567 O OG . SER A 1 327 ? 206.070 81.999 1.579 1.00 65.10 ? 322 SER A OG 1 ATOM 2568 N N . PHE A 1 328 ? 207.221 85.679 1.543 1.00 55.01 ? 323 PHE A N 1 ATOM 2569 C CA . PHE A 1 328 ? 207.468 86.615 2.631 1.00 54.21 ? 323 PHE A CA 1 ATOM 2570 C C . PHE A 1 328 ? 206.156 86.937 3.334 1.00 64.24 ? 323 PHE A C 1 ATOM 2571 O O . PHE A 1 328 ? 205.201 87.381 2.697 1.00 61.67 ? 323 PHE A O 1 ATOM 2572 C CB . PHE A 1 328 ? 208.111 87.904 2.110 1.00 53.44 ? 323 PHE A CB 1 ATOM 2573 C CG . PHE A 1 328 ? 209.210 87.680 1.111 1.00 59.51 ? 323 PHE A CG 1 ATOM 2574 C CD1 . PHE A 1 328 ? 210.533 87.616 1.517 1.00 62.16 ? 323 PHE A CD1 1 ATOM 2575 C CD2 . PHE A 1 328 ? 208.922 87.548 -0.238 1.00 56.21 ? 323 PHE A CD2 1 ATOM 2576 C CE1 . PHE A 1 328 ? 211.547 87.416 0.596 1.00 51.20 ? 323 PHE A CE1 1 ATOM 2577 C CE2 . PHE A 1 328 ? 209.930 87.347 -1.162 1.00 62.53 ? 323 PHE A CE2 1 ATOM 2578 C CZ . PHE A 1 328 ? 211.245 87.281 -0.744 1.00 57.88 ? 323 PHE A CZ 1 ATOM 2579 N N . ARG A 1 329 ? 206.105 86.720 4.644 1.00 67.35 ? 324 ARG A N 1 ATOM 2580 C CA . ARG A 1 329 ? 204.881 86.973 5.398 1.00 56.59 ? 324 ARG A CA 1 ATOM 2581 C C . ARG A 1 329 ? 204.938 88.305 6.139 1.00 61.55 ? 324 ARG A C 1 ATOM 2582 O O . ARG A 1 329 ? 205.655 88.442 7.128 1.00 65.33 ? 324 ARG A O 1 ATOM 2583 C CB . ARG A 1 329 ? 204.619 85.841 6.393 1.00 60.07 ? 324 ARG A CB 1 ATOM 2584 C CG . ARG A 1 329 ? 204.494 84.459 5.770 1.00 67.84 ? 324 ARG A CG 1 ATOM 2585 C CD . ARG A 1 329 ? 203.256 84.337 4.898 1.00 72.49 ? 324 ARG A CD 1 ATOM 2586 N NE . ARG A 1 329 ? 202.789 82.956 4.812 1.00 77.73 ? 324 ARG A NE 1 ATOM 2587 C CZ . ARG A 1 329 ? 203.295 82.044 3.988 1.00 78.68 ? 324 ARG A CZ 1 ATOM 2588 N NH1 . ARG A 1 329 ? 204.291 82.365 3.175 1.00 81.54 ? 324 ARG A NH1 1 ATOM 2589 N NH2 . ARG A 1 329 ? 202.809 80.811 3.978 1.00 74.74 ? 324 ARG A NH2 1 ATOM 2590 N N . ALA A 1 330 ? 204.177 89.283 5.655 1.00 64.90 ? 325 ALA A N 1 ATOM 2591 C CA . ALA A 1 330 ? 204.086 90.583 6.310 1.00 62.99 ? 325 ALA A CA 1 ATOM 2592 C C . ALA A 1 330 ? 202.663 90.847 6.785 1.00 76.82 ? 325 ALA A C 1 ATOM 2593 O O . ALA A 1 330 ? 201.725 90.162 6.372 1.00 75.29 ? 325 ALA A O 1 ATOM 2594 C CB . ALA A 1 330 ? 204.543 91.686 5.374 1.00 63.64 ? 325 ALA A CB 1 ATOM 2595 N N . LYS A 1 331 ? 202.504 91.851 7.641 1.00 95.26 ? 326 LYS A N 1 ATOM 2596 C CA . LYS A 1 331 ? 201.199 92.178 8.204 1.00 92.13 ? 326 LYS A CA 1 ATOM 2597 C C . LYS A 1 331 ? 200.192 92.560 7.122 1.00 97.97 ? 326 LYS A C 1 ATOM 2598 O O . LYS A 1 331 ? 198.983 92.447 7.322 1.00 103.48 ? 326 LYS A O 1 ATOM 2599 C CB . LYS A 1 331 ? 201.329 93.309 9.231 1.00 94.62 ? 326 LYS A CB 1 ATOM 2600 C CG . LYS A 1 331 ? 201.936 94.598 8.689 1.00 107.40 ? 326 LYS A CG 1 ATOM 2601 C CD . LYS A 1 331 ? 200.864 95.586 8.243 1.00 110.57 ? 326 LYS A CD 1 ATOM 2602 C CE . LYS A 1 331 ? 201.470 96.779 7.520 1.00 107.34 ? 326 LYS A CE 1 ATOM 2603 N NZ . LYS A 1 331 ? 200.420 97.655 6.929 1.00 100.84 ? 326 LYS A NZ 1 ATOM 2604 N N . ASP A 1 332 ? 200.692 93.007 5.974 1.00 73.54 ? 327 ASP A N 1 ATOM 2605 C CA . ASP A 1 332 ? 199.813 93.435 4.894 1.00 73.94 ? 327 ASP A CA 1 ATOM 2606 C C . ASP A 1 332 ? 199.551 92.314 3.892 1.00 69.32 ? 327 ASP A C 1 ATOM 2607 O O . ASP A 1 332 ? 198.904 92.528 2.869 1.00 74.14 ? 327 ASP A O 1 ATOM 2608 C CB . ASP A 1 332 ? 200.393 94.659 4.175 1.00 72.85 ? 327 ASP A CB 1 ATOM 2609 C CG . ASP A 1 332 ? 201.359 94.289 3.064 1.00 71.90 ? 327 ASP A CG 1 ATOM 2610 O OD1 . ASP A 1 332 ? 202.305 93.515 3.320 1.00 69.57 ? 327 ASP A OD1 1 ATOM 2611 O OD2 . ASP A 1 332 ? 201.166 94.774 1.928 1.00 69.32 ? 327 ASP A OD2 1 ATOM 2612 N N . GLY A 1 333 ? 200.051 91.119 4.183 1.00 64.88 ? 328 GLY A N 1 ATOM 2613 C CA . GLY A 1 333 ? 199.787 89.983 3.320 1.00 64.14 ? 328 GLY A CA 1 ATOM 2614 C C . GLY A 1 333 ? 200.971 89.071 3.068 1.00 67.64 ? 328 GLY A C 1 ATOM 2615 O O . GLY A 1 333 ? 201.953 89.083 3.807 1.00 71.22 ? 328 GLY A O 1 ATOM 2616 N N . CYS A 1 334 ? 200.871 88.276 2.008 1.00 65.26 ? 329 CYS A N 1 ATOM 2617 C CA . CYS A 1 334 ? 201.882 87.276 1.695 1.00 56.96 ? 329 CYS A CA 1 ATOM 2618 C C . CYS A 1 334 ? 202.470 87.485 0.303 1.00 65.49 ? 329 CYS A C 1 ATOM 2619 O O . CYS A 1 334 ? 201.802 87.267 -0.704 1.00 68.10 ? 329 CYS A O 1 ATOM 2620 C CB . CYS A 1 334 ? 201.285 85.874 1.810 1.00 64.75 ? 329 CYS A CB 1 ATOM 2621 S SG . CYS A 1 334 ? 202.377 84.548 1.276 1.00 77.86 ? 329 CYS A SG 1 ATOM 2622 N N . TRP A 1 335 ? 203.730 87.903 0.261 1.00 68.98 ? 330 TRP A N 1 ATOM 2623 C CA . TRP A 1 335 ? 204.427 88.159 -0.993 1.00 62.10 ? 330 TRP A CA 1 ATOM 2624 C C . TRP A 1 335 ? 205.149 86.909 -1.485 1.00 57.61 ? 330 TRP A C 1 ATOM 2625 O O . TRP A 1 335 ? 205.447 86.014 -0.701 1.00 58.18 ? 330 TRP A O 1 ATOM 2626 C CB . TRP A 1 335 ? 205.421 89.306 -0.817 1.00 52.69 ? 330 TRP A CB 1 ATOM 2627 C CG . TRP A 1 335 ? 204.790 90.581 -0.343 1.00 51.63 ? 330 TRP A CG 1 ATOM 2628 C CD1 . TRP A 1 335 ? 204.247 90.821 0.885 1.00 51.61 ? 330 TRP A CD1 1 ATOM 2629 C CD2 . TRP A 1 335 ? 204.650 91.796 -1.088 1.00 51.00 ? 330 TRP A CD2 1 ATOM 2630 N NE1 . TRP A 1 335 ? 203.770 92.107 0.948 1.00 55.50 ? 330 TRP A NE1 1 ATOM 2631 C CE2 . TRP A 1 335 ? 204.006 92.727 -0.250 1.00 52.23 ? 330 TRP A CE2 1 ATOM 2632 C CE3 . TRP A 1 335 ? 205.003 92.185 -2.384 1.00 53.25 ? 330 TRP A CE3 1 ATOM 2633 C CZ2 . TRP A 1 335 ? 203.709 94.023 -0.664 1.00 55.60 ? 330 TRP A CZ2 1 ATOM 2634 C CZ3 . TRP A 1 335 ? 204.707 93.472 -2.793 1.00 57.42 ? 330 TRP A CZ3 1 ATOM 2635 C CH2 . TRP A 1 335 ? 204.067 94.376 -1.936 1.00 62.02 ? 330 TRP A CH2 1 ATOM 2636 N N . TYR A 1 336 ? 205.428 86.845 -2.783 1.00 56.20 ? 331 TYR A N 1 ATOM 2637 C CA . TYR A 1 336 ? 206.183 85.727 -3.338 1.00 54.78 ? 331 TYR A CA 1 ATOM 2638 C C . TYR A 1 336 ? 207.597 86.144 -3.718 1.00 59.31 ? 331 TYR A C 1 ATOM 2639 O O . TYR A 1 336 ? 207.892 87.331 -3.850 1.00 58.12 ? 331 TYR A O 1 ATOM 2640 C CB . TYR A 1 336 ? 205.472 85.141 -4.559 1.00 51.54 ? 331 TYR A CB 1 ATOM 2641 C CG . TYR A 1 336 ? 204.571 83.972 -4.239 1.00 64.57 ? 331 TYR A CG 1 ATOM 2642 C CD1 . TYR A 1 336 ? 205.093 82.791 -3.733 1.00 54.10 ? 331 TYR A CD1 1 ATOM 2643 C CD2 . TYR A 1 336 ? 203.201 84.045 -4.450 1.00 60.14 ? 331 TYR A CD2 1 ATOM 2644 C CE1 . TYR A 1 336 ? 204.276 81.716 -3.438 1.00 62.89 ? 331 TYR A CE1 1 ATOM 2645 C CE2 . TYR A 1 336 ? 202.376 82.974 -4.160 1.00 56.54 ? 331 TYR A CE2 1 ATOM 2646 C CZ . TYR A 1 336 ? 202.919 81.812 -3.654 1.00 66.04 ? 331 TYR A CZ 1 ATOM 2647 O OH . TYR A 1 336 ? 202.104 80.742 -3.363 1.00 62.96 ? 331 TYR A OH 1 ATOM 2648 N N . GLY A 1 337 ? 208.470 85.157 -3.893 1.00 54.48 ? 332 GLY A N 1 ATOM 2649 C CA . GLY A 1 337 ? 209.822 85.410 -4.352 1.00 55.20 ? 332 GLY A CA 1 ATOM 2650 C C . GLY A 1 337 ? 209.840 85.905 -5.785 1.00 64.69 ? 332 GLY A C 1 ATOM 2651 O O . GLY A 1 337 ? 208.857 85.754 -6.515 1.00 67.36 ? 332 GLY A O 1 ATOM 2652 N N . MET A 1 338 ? 210.963 86.493 -6.187 1.00 60.89 ? 333 MET A N 1 ATOM 2653 C CA . MET A 1 338 ? 211.102 87.073 -7.519 1.00 64.20 ? 333 MET A CA 1 ATOM 2654 C C . MET A 1 338 ? 210.886 86.041 -8.622 1.00 70.09 ? 333 MET A C 1 ATOM 2655 O O . MET A 1 338 ? 210.350 86.358 -9.683 1.00 71.40 ? 333 MET A O 1 ATOM 2656 C CB . MET A 1 338 ? 212.482 87.720 -7.672 1.00 63.42 ? 333 MET A CB 1 ATOM 2657 C CG . MET A 1 338 ? 212.740 88.858 -6.696 1.00 63.29 ? 333 MET A CG 1 ATOM 2658 S SD . MET A 1 338 ? 214.345 89.646 -6.920 1.00 55.06 ? 333 MET A SD 1 ATOM 2659 C CE . MET A 1 338 ? 214.171 90.308 -8.574 1.00 54.49 ? 333 MET A CE 1 ATOM 2660 N N . GLU A 1 339 ? 211.291 84.804 -8.357 1.00 66.79 ? 334 GLU A N 1 ATOM 2661 C CA . GLU A 1 339 ? 211.213 83.737 -9.348 1.00 67.90 ? 334 GLU A CA 1 ATOM 2662 C C . GLU A 1 339 ? 209.772 83.311 -9.628 1.00 71.24 ? 334 GLU A C 1 ATOM 2663 O O . GLU A 1 339 ? 209.495 82.654 -10.631 1.00 70.39 ? 334 GLU A O 1 ATOM 2664 C CB . GLU A 1 339 ? 212.031 82.524 -8.890 1.00 60.05 ? 334 GLU A CB 1 ATOM 2665 C CG . GLU A 1 339 ? 213.544 82.729 -8.902 1.00 75.21 ? 334 GLU A CG 1 ATOM 2666 C CD . GLU A 1 339 ? 214.032 83.659 -7.805 1.00 74.32 ? 334 GLU A CD 1 ATOM 2667 O OE1 . GLU A 1 339 ? 215.140 84.220 -7.950 1.00 73.33 ? 334 GLU A OE1 1 ATOM 2668 O OE2 . GLU A 1 339 ? 213.310 83.829 -6.800 1.00 68.36 ? 334 GLU A OE2 1 ATOM 2669 N N . ILE A 1 340 ? 208.857 83.694 -8.744 1.00 70.08 ? 335 ILE A N 1 ATOM 2670 C CA . ILE A 1 340 ? 207.474 83.236 -8.831 1.00 74.07 ? 335 ILE A CA 1 ATOM 2671 C C . ILE A 1 340 ? 206.536 84.307 -9.388 1.00 68.91 ? 335 ILE A C 1 ATOM 2672 O O . ILE A 1 340 ? 206.408 85.396 -8.829 1.00 68.17 ? 335 ILE A O 1 ATOM 2673 C CB . ILE A 1 340 ? 206.975 82.770 -7.456 1.00 73.93 ? 335 ILE A CB 1 ATOM 2674 C CG1 . ILE A 1 340 ? 207.899 81.673 -6.926 1.00 73.76 ? 335 ILE A CG1 1 ATOM 2675 C CG2 . ILE A 1 340 ? 205.542 82.268 -7.547 1.00 69.88 ? 335 ILE A CG2 1 ATOM 2676 C CD1 . ILE A 1 340 ? 207.825 81.469 -5.439 1.00 71.68 ? 335 ILE A CD1 1 ATOM 2677 N N . ARG A 1 341 ? 205.879 83.970 -10.494 1.00 68.82 ? 336 ARG A N 1 ATOM 2678 C CA . ARG A 1 341 ? 205.040 84.902 -11.244 1.00 69.96 ? 336 ARG A CA 1 ATOM 2679 C C . ARG A 1 341 ? 203.603 84.389 -11.348 1.00 67.23 ? 336 ARG A C 1 ATOM 2680 O O . ARG A 1 341 ? 203.370 83.196 -11.213 1.00 68.18 ? 336 ARG A O 1 ATOM 2681 C CB . ARG A 1 341 ? 205.625 85.111 -12.642 1.00 74.97 ? 336 ARG A CB 1 ATOM 2682 C CG . ARG A 1 341 ? 207.073 85.565 -12.658 1.00 71.82 ? 336 ARG A CG 1 ATOM 2683 C CD . ARG A 1 341 ? 207.180 87.048 -12.363 1.00 76.31 ? 336 ARG A CD 1 ATOM 2684 N NE . ARG A 1 341 ? 207.600 87.318 -10.994 1.00 70.94 ? 336 ARG A NE 1 ATOM 2685 C CZ . ARG A 1 341 ? 207.687 88.537 -10.475 1.00 69.24 ? 336 ARG A CZ 1 ATOM 2686 N NH1 . ARG A 1 341 ? 208.082 88.700 -9.220 1.00 76.52 ? 336 ARG A NH1 1 ATOM 2687 N NH2 . ARG A 1 341 ? 207.376 89.595 -11.211 1.00 67.76 ? 336 ARG A NH2 1 ATOM 2688 N N . PRO A 1 342 ? 202.630 85.285 -11.594 1.00 62.25 ? 337 PRO A N 1 ATOM 2689 C CA . PRO A 1 342 ? 201.243 84.830 -11.764 1.00 61.08 ? 337 PRO A CA 1 ATOM 2690 C C . PRO A 1 342 ? 201.073 84.005 -13.036 1.00 64.57 ? 337 PRO A C 1 ATOM 2691 O O . PRO A 1 342 ? 201.523 84.437 -14.097 1.00 72.04 ? 337 PRO A O 1 ATOM 2692 C CB . PRO A 1 342 ? 200.446 86.138 -11.855 1.00 55.30 ? 337 PRO A CB 1 ATOM 2693 C CG . PRO A 1 342 ? 201.353 87.192 -11.308 1.00 56.32 ? 337 PRO A CG 1 ATOM 2694 C CD . PRO A 1 342 ? 202.732 86.750 -11.671 1.00 64.67 ? 337 PRO A CD 1 ATOM 2695 N N . ARG A 1 343 ? 200.430 82.845 -12.936 1.00 72.93 ? 338 ARG A N 1 ATOM 2696 C CA . ARG A 1 343 ? 200.336 81.933 -14.073 1.00 71.20 ? 338 ARG A CA 1 ATOM 2697 C C . ARG A 1 343 ? 199.520 82.503 -15.233 1.00 80.20 ? 338 ARG A C 1 ATOM 2698 O O . ARG A 1 343 ? 199.882 82.319 -16.395 1.00 81.17 ? 338 ARG A O 1 ATOM 2699 C CB . ARG A 1 343 ? 199.741 80.589 -13.640 1.00 65.47 ? 338 ARG A CB 1 ATOM 2700 C CG . ARG A 1 343 ? 199.642 79.582 -14.779 1.00 69.54 ? 338 ARG A CG 1 ATOM 2701 C CD . ARG A 1 343 ? 200.005 78.167 -14.345 1.00 78.62 ? 338 ARG A CD 1 ATOM 2702 N NE . ARG A 1 343 ? 198.831 77.367 -14.006 1.00 92.98 ? 338 ARG A NE 1 ATOM 2703 C CZ . ARG A 1 343 ? 198.818 76.037 -13.966 1.00 95.44 ? 338 ARG A CZ 1 ATOM 2704 N NH1 . ARG A 1 343 ? 197.705 75.390 -13.649 1.00 103.33 ? 338 ARG A NH1 1 ATOM 2705 N NH2 . ARG A 1 343 ? 199.918 75.352 -14.250 1.00 90.19 ? 338 ARG A NH2 1 ATOM 2706 N N . LYS A 1 344 ? 198.429 83.197 -14.925 1.00 93.83 ? 339 LYS A N 1 ATOM 2707 C CA . LYS A 1 344 ? 197.551 83.709 -15.974 1.00 92.60 ? 339 LYS A CA 1 ATOM 2708 C C . LYS A 1 344 ? 197.309 85.211 -15.873 1.00 90.48 ? 339 LYS A C 1 ATOM 2709 O O . LYS A 1 344 ? 197.285 85.911 -16.886 1.00 97.02 ? 339 LYS A O 1 ATOM 2710 C CB . LYS A 1 344 ? 196.209 82.977 -15.947 1.00 79.92 ? 339 LYS A CB 1 ATOM 2711 C CG . LYS A 1 344 ? 195.313 83.316 -17.124 1.00 106.88 ? 339 LYS A CG 1 ATOM 2712 C CD . LYS A 1 344 ? 196.035 83.067 -18.441 1.00 110.57 ? 339 LYS A CD 1 ATOM 2713 C CE . LYS A 1 344 ? 195.144 83.378 -19.633 1.00 120.76 ? 339 LYS A CE 1 ATOM 2714 N NZ . LYS A 1 344 ? 195.833 83.097 -20.924 1.00 125.02 ? 339 LYS A NZ 1 ATOM 2715 N N . GLU A 1 345 ? 197.120 85.697 -14.651 1.00 91.44 ? 340 GLU A N 1 ATOM 2716 C CA . GLU A 1 345 ? 196.824 87.106 -14.415 1.00 95.70 ? 340 GLU A CA 1 ATOM 2717 C C . GLU A 1 345 ? 197.929 88.008 -14.956 1.00 97.70 ? 340 GLU A C 1 ATOM 2718 O O . GLU A 1 345 ? 199.109 87.760 -14.711 1.00 105.24 ? 340 GLU A O 1 ATOM 2719 C CB . GLU A 1 345 ? 196.628 87.364 -12.920 1.00 96.93 ? 340 GLU A CB 1 ATOM 2720 C CG . GLU A 1 345 ? 196.165 88.772 -12.579 1.00 102.91 ? 340 GLU A CG 1 ATOM 2721 C CD . GLU A 1 345 ? 194.657 88.882 -12.456 1.00 104.72 ? 340 GLU A CD 1 ATOM 2722 O OE1 . GLU A 1 345 ? 194.007 87.855 -12.163 1.00 97.41 ? 340 GLU A OE1 1 ATOM 2723 O OE2 . GLU A 1 345 ? 194.122 89.995 -12.649 1.00 107.35 ? 340 GLU A OE2 1 ATOM 2724 N N . PRO A 1 346 ? 197.548 89.055 -15.704 1.00 80.46 ? 341 PRO A N 1 ATOM 2725 C CA . PRO A 1 346 ? 198.529 90.032 -16.187 1.00 81.80 ? 341 PRO A CA 1 ATOM 2726 C C . PRO A 1 346 ? 199.164 90.787 -15.026 1.00 80.32 ? 341 PRO A C 1 ATOM 2727 O O . PRO A 1 346 ? 198.448 91.229 -14.130 1.00 78.80 ? 341 PRO A O 1 ATOM 2728 C CB . PRO A 1 346 ? 197.692 90.968 -17.065 1.00 80.47 ? 341 PRO A CB 1 ATOM 2729 C CG . PRO A 1 346 ? 196.302 90.834 -16.537 1.00 78.99 ? 341 PRO A CG 1 ATOM 2730 C CD . PRO A 1 346 ? 196.176 89.399 -16.116 1.00 80.71 ? 341 PRO A CD 1 ATOM 2731 N N . GLU A 1 347 ? 200.486 90.936 -15.047 1.00 114.43 ? 342 GLU A N 1 ATOM 2732 C CA . GLU A 1 347 ? 201.210 91.556 -13.939 1.00 109.59 ? 342 GLU A CA 1 ATOM 2733 C C . GLU A 1 347 ? 200.826 93.016 -13.707 1.00 109.20 ? 342 GLU A C 1 ATOM 2734 O O . GLU A 1 347 ? 201.175 93.594 -12.678 1.00 108.18 ? 342 GLU A O 1 ATOM 2735 C CB . GLU A 1 347 ? 202.720 91.462 -14.170 1.00 102.99 ? 342 GLU A CB 1 ATOM 2736 C CG . GLU A 1 347 ? 203.272 90.047 -14.160 1.00 96.35 ? 342 GLU A CG 1 ATOM 2737 C CD . GLU A 1 347 ? 204.785 90.019 -14.045 1.00 99.54 ? 342 GLU A CD 1 ATOM 2738 O OE1 . GLU A 1 347 ? 205.380 88.943 -14.262 1.00 100.32 ? 342 GLU A OE1 1 ATOM 2739 O OE2 . GLU A 1 347 ? 205.377 91.074 -13.734 1.00 102.67 ? 342 GLU A OE2 1 ATOM 2740 N N . SER A 1 348 ? 200.106 93.603 -14.660 1.00 92.74 ? 343 SER A N 1 ATOM 2741 C CA . SER A 1 348 ? 199.735 95.013 -14.593 1.00 92.36 ? 343 SER A CA 1 ATOM 2742 C C . SER A 1 348 ? 198.917 95.347 -13.347 1.00 96.46 ? 343 SER A C 1 ATOM 2743 O O . SER A 1 348 ? 199.184 96.344 -12.676 1.00 94.87 ? 343 SER A O 1 ATOM 2744 C CB . SER A 1 348 ? 198.949 95.416 -15.843 1.00 103.74 ? 343 SER A CB 1 ATOM 2745 O OG . SER A 1 348 ? 197.558 95.480 -15.573 1.00 106.78 ? 343 SER A OG 1 ATOM 2746 N N . ASN A 1 349 ? 197.927 94.515 -13.038 1.00 97.80 ? 344 ASN A N 1 ATOM 2747 C CA . ASN A 1 349 ? 197.020 94.801 -11.928 1.00 95.86 ? 344 ASN A CA 1 ATOM 2748 C C . ASN A 1 349 ? 197.377 94.076 -10.629 1.00 93.33 ? 344 ASN A C 1 ATOM 2749 O O . ASN A 1 349 ? 196.506 93.811 -9.799 1.00 87.33 ? 344 ASN A O 1 ATOM 2750 C CB . ASN A 1 349 ? 195.577 94.466 -12.325 1.00 103.89 ? 344 ASN A CB 1 ATOM 2751 C CG . ASN A 1 349 ? 195.410 93.029 -12.786 1.00 103.09 ? 344 ASN A CG 1 ATOM 2752 O OD1 . ASN A 1 349 ? 196.308 92.203 -12.631 1.00 100.62 ? 344 ASN A OD1 1 ATOM 2753 N ND2 . ASN A 1 349 ? 194.249 92.723 -13.354 1.00 89.41 ? 344 ASN A ND2 1 ATOM 2754 N N . LEU A 1 350 ? 198.656 93.759 -10.453 1.00 97.08 ? 345 LEU A N 1 ATOM 2755 C CA . LEU A 1 350 ? 199.124 93.177 -9.200 1.00 87.45 ? 345 LEU A CA 1 ATOM 2756 C C . LEU A 1 350 ? 199.935 94.184 -8.399 1.00 84.58 ? 345 LEU A C 1 ATOM 2757 O O . LEU A 1 350 ? 200.312 95.239 -8.908 1.00 87.16 ? 345 LEU A O 1 ATOM 2758 C CB . LEU A 1 350 ? 199.962 91.925 -9.454 1.00 86.11 ? 345 LEU A CB 1 ATOM 2759 C CG . LEU A 1 350 ? 199.195 90.627 -9.705 1.00 89.30 ? 345 LEU A CG 1 ATOM 2760 C CD1 . LEU A 1 350 ? 199.193 90.285 -11.180 1.00 98.27 ? 345 LEU A CD1 1 ATOM 2761 C CD2 . LEU A 1 350 ? 199.786 89.493 -8.886 1.00 79.99 ? 345 LEU A CD2 1 ATOM 2762 N N . VAL A 1 351 ? 200.200 93.852 -7.140 1.00 70.78 ? 346 VAL A N 1 ATOM 2763 C CA . VAL A 1 351 ? 201.009 94.705 -6.282 1.00 71.30 ? 346 VAL A CA 1 ATOM 2764 C C . VAL A 1 351 ? 202.457 94.232 -6.279 1.00 70.65 ? 346 VAL A C 1 ATOM 2765 O O . VAL A 1 351 ? 202.743 93.077 -5.959 1.00 66.47 ? 346 VAL A O 1 ATOM 2766 C CB . VAL A 1 351 ? 200.475 94.726 -4.844 1.00 71.62 ? 346 VAL A CB 1 ATOM 2767 C CG1 . VAL A 1 351 ? 201.326 95.644 -3.980 1.00 66.05 ? 346 VAL A CG1 1 ATOM 2768 C CG2 . VAL A 1 351 ? 199.022 95.169 -4.830 1.00 73.72 ? 346 VAL A CG2 1 ATOM 2769 N N . ARG A 1 352 ? 203.370 95.129 -6.637 1.00 72.51 ? 347 ARG A N 1 ATOM 2770 C CA . ARG A 1 352 ? 204.778 94.772 -6.746 1.00 72.17 ? 347 ARG A CA 1 ATOM 2771 C C . ARG A 1 352 ? 205.647 95.582 -5.795 1.00 73.36 ? 347 ARG A C 1 ATOM 2772 O O . ARG A 1 352 ? 205.322 96.721 -5.453 1.00 72.57 ? 347 ARG A O 1 ATOM 2773 C CB . ARG A 1 352 ? 205.265 94.965 -8.184 1.00 70.81 ? 347 ARG A CB 1 ATOM 2774 C CG . ARG A 1 352 ? 205.325 96.411 -8.643 1.00 79.95 ? 347 ARG A CG 1 ATOM 2775 C CD . ARG A 1 352 ? 205.237 96.495 -10.155 1.00 89.48 ? 347 ARG A CD 1 ATOM 2776 N NE . ARG A 1 352 ? 203.888 96.188 -10.622 1.00 111.60 ? 347 ARG A NE 1 ATOM 2777 C CZ . ARG A 1 352 ? 203.585 95.833 -11.866 1.00 118.03 ? 347 ARG A CZ 1 ATOM 2778 N NH1 . ARG A 1 352 ? 204.540 95.726 -12.781 1.00 111.84 ? 347 ARG A NH1 1 ATOM 2779 N NH2 . ARG A 1 352 ? 202.326 95.577 -12.194 1.00 115.06 ? 347 ARG A NH2 1 ATOM 2780 N N . SER A 1 353 ? 206.751 94.983 -5.365 1.00 72.72 ? 348 SER A N 1 ATOM 2781 C CA . SER A 1 353 ? 207.736 95.699 -4.573 1.00 71.87 ? 348 SER A CA 1 ATOM 2782 C C . SER A 1 353 ? 208.383 96.779 -5.420 1.00 71.26 ? 348 SER A C 1 ATOM 2783 O O . SER A 1 353 ? 208.978 96.493 -6.458 1.00 81.48 ? 348 SER A O 1 ATOM 2784 C CB . SER A 1 353 ? 208.802 94.750 -4.030 1.00 69.13 ? 348 SER A CB 1 ATOM 2785 O OG . SER A 1 353 ? 209.874 95.481 -3.462 1.00 72.15 ? 348 SER A OG 1 ATOM 2786 N N . MET A 1 354 ? 208.254 98.023 -4.980 1.00 64.05 ? 349 MET A N 1 ATOM 2787 C CA . MET A 1 354 ? 208.847 99.139 -5.698 1.00 65.01 ? 349 MET A CA 1 ATOM 2788 C C . MET A 1 354 ? 210.130 99.572 -5.009 1.00 64.92 ? 349 MET A C 1 ATOM 2789 O O . MET A 1 354 ? 210.398 100.762 -4.852 1.00 69.59 ? 349 MET A O 1 ATOM 2790 C CB . MET A 1 354 ? 207.858 100.301 -5.791 1.00 70.32 ? 349 MET A CB 1 ATOM 2791 C CG . MET A 1 354 ? 206.595 99.979 -6.584 1.00 69.91 ? 349 MET A CG 1 ATOM 2792 S SD . MET A 1 354 ? 206.688 100.402 -8.340 1.00 100.10 ? 349 MET A SD 1 ATOM 2793 C CE . MET A 1 354 ? 207.713 99.091 -9.008 1.00 81.26 ? 349 MET A CE 1 ATOM 2794 N N . VAL A 1 355 ? 210.926 98.589 -4.605 1.00 67.93 ? 350 VAL A N 1 ATOM 2795 C CA . VAL A 1 355 ? 212.133 98.854 -3.841 1.00 64.07 ? 350 VAL A CA 1 ATOM 2796 C C . VAL A 1 355 ? 213.219 97.836 -4.192 1.00 62.23 ? 350 VAL A C 1 ATOM 2797 O O . VAL A 1 355 ? 212.920 96.718 -4.618 1.00 65.20 ? 350 VAL A O 1 ATOM 2798 C CB . VAL A 1 355 ? 211.837 98.836 -2.321 1.00 59.98 ? 350 VAL A CB 1 ATOM 2799 C CG1 . VAL A 1 355 ? 212.048 97.446 -1.733 1.00 53.73 ? 350 VAL A CG1 1 ATOM 2800 C CG2 . VAL A 1 355 ? 212.687 99.858 -1.603 1.00 65.67 ? 350 VAL A CG2 1 ATOM 2801 N N . THR A 1 356 ? 214.478 98.234 -4.035 1.00 70.48 ? 351 THR A N 1 ATOM 2802 C CA . THR A 1 356 ? 215.602 97.364 -4.369 1.00 67.20 ? 351 THR A CA 1 ATOM 2803 C C . THR A 1 356 ? 216.733 97.503 -3.358 1.00 65.95 ? 351 THR A C 1 ATOM 2804 O O . THR A 1 356 ? 217.093 98.611 -2.964 1.00 75.35 ? 351 THR A O 1 ATOM 2805 C CB . THR A 1 356 ? 216.162 97.668 -5.773 1.00 67.08 ? 351 THR A CB 1 ATOM 2806 O OG1 . THR A 1 356 ? 215.083 97.810 -6.706 1.00 84.53 ? 351 THR A OG1 1 ATOM 2807 C CG2 . THR A 1 356 ? 217.089 96.551 -6.235 1.00 69.65 ? 351 THR A CG2 1 ATOM 2808 N N . ALA A 1 357 ? 217.294 96.373 -2.942 1.00 69.72 ? 352 ALA A N 1 ATOM 2809 C CA . ALA A 1 357 ? 218.433 96.382 -2.035 1.00 71.45 ? 352 ALA A CA 1 ATOM 2810 C C . ALA A 1 357 ? 219.682 96.883 -2.752 1.00 61.48 ? 352 ALA A C 1 ATOM 2811 O O . ALA A 1 357 ? 220.629 97.347 -2.120 1.00 74.90 ? 352 ALA A O 1 ATOM 2812 C CB . ALA A 1 357 ? 218.668 94.994 -1.460 1.00 69.07 ? 352 ALA A CB 1 ATOM 2813 N N . HIS B 1 1 ? 202.785 75.663 27.634 1.00 101.92 ? -4 HIS B N 1 ATOM 2814 C CA . HIS B 1 1 ? 203.657 76.618 28.290 1.00 98.40 ? -4 HIS B CA 1 ATOM 2815 C C . HIS B 1 1 ? 204.575 77.215 27.256 1.00 97.29 ? -4 HIS B C 1 ATOM 2816 O O . HIS B 1 1 ? 204.776 78.416 27.244 1.00 102.13 ? -4 HIS B O 1 ATOM 2817 C CB . HIS B 1 1 ? 204.458 75.973 29.412 1.00 93.76 ? -4 HIS B CB 1 ATOM 2818 C CG . HIS B 1 1 ? 204.343 76.683 30.719 1.00 103.40 ? -4 HIS B CG 1 ATOM 2819 N ND1 . HIS B 1 1 ? 204.966 77.881 30.971 1.00 102.84 ? -4 HIS B ND1 1 ATOM 2820 C CD2 . HIS B 1 1 ? 203.683 76.357 31.853 1.00 106.50 ? -4 HIS B CD2 1 ATOM 2821 C CE1 . HIS B 1 1 ? 204.692 78.266 32.204 1.00 101.56 ? -4 HIS B CE1 1 ATOM 2822 N NE2 . HIS B 1 1 ? 203.910 77.359 32.760 1.00 98.79 ? -4 HIS B NE2 1 ATOM 2823 N N . HIS B 1 2 ? 205.130 76.408 26.364 1.00 98.68 ? -3 HIS B N 1 ATOM 2824 C CA . HIS B 1 2 ? 205.857 77.050 25.273 1.00 96.22 ? -3 HIS B CA 1 ATOM 2825 C C . HIS B 1 2 ? 205.713 76.261 24.012 1.00 93.91 ? -3 HIS B C 1 ATOM 2826 O O . HIS B 1 2 ? 205.646 75.048 24.048 1.00 91.47 ? -3 HIS B O 1 ATOM 2827 C CB . HIS B 1 2 ? 207.348 77.243 25.573 1.00 101.81 ? -3 HIS B CB 1 ATOM 2828 C CG . HIS B 1 2 ? 207.810 76.560 26.814 1.00 94.32 ? -3 HIS B CG 1 ATOM 2829 N ND1 . HIS B 1 2 ? 208.237 77.248 27.922 1.00 91.23 ? -3 HIS B ND1 1 ATOM 2830 C CD2 . HIS B 1 2 ? 207.862 75.252 27.136 1.00 89.58 ? -3 HIS B CD2 1 ATOM 2831 C CE1 . HIS B 1 2 ? 208.550 76.390 28.871 1.00 90.03 ? -3 HIS B CE1 1 ATOM 2832 N NE2 . HIS B 1 2 ? 208.332 75.173 28.418 1.00 90.30 ? -3 HIS B NE2 1 ATOM 2833 N N . HIS B 1 3 ? 205.673 76.962 22.891 1.00 103.09 ? -2 HIS B N 1 ATOM 2834 C CA . HIS B 1 3 ? 205.392 76.323 21.633 1.00 105.18 ? -2 HIS B CA 1 ATOM 2835 C C . HIS B 1 3 ? 206.646 76.107 20.829 1.00 100.67 ? -2 HIS B C 1 ATOM 2836 O O . HIS B 1 3 ? 206.601 76.063 19.613 1.00 102.11 ? -2 HIS B O 1 ATOM 2837 C CB . HIS B 1 3 ? 204.380 77.149 20.837 1.00 115.33 ? -2 HIS B CB 1 ATOM 2838 C CG . HIS B 1 3 ? 203.096 76.426 20.553 1.00 124.68 ? -2 HIS B CG 1 ATOM 2839 N ND1 . HIS B 1 3 ? 203.017 75.359 19.683 1.00 117.49 ? -2 HIS B ND1 1 ATOM 2840 C CD2 . HIS B 1 3 ? 201.843 76.616 21.026 1.00 121.22 ? -2 HIS B CD2 1 ATOM 2841 C CE1 . HIS B 1 3 ? 201.774 74.922 19.636 1.00 123.03 ? -2 HIS B CE1 1 ATOM 2842 N NE2 . HIS B 1 3 ? 201.041 75.667 20.442 1.00 122.63 ? -2 HIS B NE2 1 ATOM 2843 N N . HIS B 1 4 ? 207.769 75.977 21.509 1.00 91.90 ? -1 HIS B N 1 ATOM 2844 C CA . HIS B 1 4 ? 209.020 75.854 20.806 1.00 83.65 ? -1 HIS B CA 1 ATOM 2845 C C . HIS B 1 4 ? 209.651 74.506 20.947 1.00 88.69 ? -1 HIS B C 1 ATOM 2846 O O . HIS B 1 4 ? 209.201 73.673 21.694 1.00 96.21 ? -1 HIS B O 1 ATOM 2847 C CB . HIS B 1 4 ? 209.981 76.921 21.267 1.00 82.96 ? -1 HIS B CB 1 ATOM 2848 C CG . HIS B 1 4 ? 209.955 78.141 20.418 1.00 78.98 ? -1 HIS B CG 1 ATOM 2849 N ND1 . HIS B 1 4 ? 210.075 78.088 19.052 1.00 71.26 ? -1 HIS B ND1 1 ATOM 2850 C CD2 . HIS B 1 4 ? 209.792 79.442 20.733 1.00 74.36 ? -1 HIS B CD2 1 ATOM 2851 C CE1 . HIS B 1 4 ? 209.999 79.307 18.561 1.00 74.17 ? -1 HIS B CE1 1 ATOM 2852 N NE2 . HIS B 1 4 ? 209.827 80.147 19.561 1.00 75.44 ? -1 HIS B NE2 1 ATOM 2853 N N . HIS B 1 5 ? 210.717 74.306 20.210 1.00 94.68 ? 0 HIS B N 1 ATOM 2854 C CA . HIS B 1 5 ? 211.381 73.028 20.160 1.00 96.12 ? 0 HIS B CA 1 ATOM 2855 C C . HIS B 1 5 ? 212.445 72.955 21.242 1.00 100.05 ? 0 HIS B C 1 ATOM 2856 O O . HIS B 1 5 ? 212.667 71.915 21.819 1.00 95.44 ? 0 HIS B O 1 ATOM 2857 C CB . HIS B 1 5 ? 212.001 72.761 18.767 1.00 103.77 ? 0 HIS B CB 1 ATOM 2858 C CG . HIS B 1 5 ? 211.887 73.900 17.790 1.00 98.54 ? 0 HIS B CG 1 ATOM 2859 N ND1 . HIS B 1 5 ? 212.072 75.214 18.150 1.00 91.19 ? 0 HIS B ND1 1 ATOM 2860 C CD2 . HIS B 1 5 ? 211.601 73.914 16.469 1.00 90.31 ? 0 HIS B CD2 1 ATOM 2861 C CE1 . HIS B 1 5 ? 211.902 75.987 17.096 1.00 87.38 ? 0 HIS B CE1 1 ATOM 2862 N NE2 . HIS B 1 5 ? 211.617 75.222 16.063 1.00 87.79 ? 0 HIS B NE2 1 ATOM 2863 N N . HIS B 1 6 ? 213.106 74.075 21.498 1.00 106.23 ? 1 HIS B N 1 ATOM 2864 C CA . HIS B 1 6 ? 214.145 74.160 22.501 1.00 96.38 ? 1 HIS B CA 1 ATOM 2865 C C . HIS B 1 6 ? 213.886 75.320 23.405 1.00 95.30 ? 1 HIS B C 1 ATOM 2866 O O . HIS B 1 6 ? 213.490 76.367 22.960 1.00 97.65 ? 1 HIS B O 1 ATOM 2867 C CB . HIS B 1 6 ? 215.481 74.451 21.865 1.00 94.01 ? 1 HIS B CB 1 ATOM 2868 C CG . HIS B 1 6 ? 215.964 73.394 20.940 1.00 101.63 ? 1 HIS B CG 1 ATOM 2869 N ND1 . HIS B 1 6 ? 215.421 73.195 19.695 1.00 105.95 ? 1 HIS B ND1 1 ATOM 2870 C CD2 . HIS B 1 6 ? 216.975 72.509 21.057 1.00 105.46 ? 1 HIS B CD2 1 ATOM 2871 C CE1 . HIS B 1 6 ? 216.063 72.215 19.090 1.00 103.29 ? 1 HIS B CE1 1 ATOM 2872 N NE2 . HIS B 1 6 ? 217.011 71.782 19.895 1.00 104.58 ? 1 HIS B NE2 1 ATOM 2873 N N . VAL B 1 7 ? 214.169 75.133 24.675 1.00 70.54 ? 2 VAL B N 1 ATOM 2874 C CA . VAL B 1 7 ? 214.099 76.195 25.670 1.00 69.50 ? 2 VAL B CA 1 ATOM 2875 C C . VAL B 1 7 ? 215.258 76.031 26.634 1.00 69.36 ? 2 VAL B C 1 ATOM 2876 O O . VAL B 1 7 ? 215.555 74.920 27.064 1.00 67.21 ? 2 VAL B O 1 ATOM 2877 C CB . VAL B 1 7 ? 212.769 76.176 26.440 1.00 71.88 ? 2 VAL B CB 1 ATOM 2878 C CG1 . VAL B 1 7 ? 212.753 77.248 27.532 1.00 81.84 ? 2 VAL B CG1 1 ATOM 2879 C CG2 . VAL B 1 7 ? 211.622 76.371 25.478 1.00 76.33 ? 2 VAL B CG2 1 ATOM 2880 N N . GLY B 1 8 ? 215.922 77.132 26.959 1.00 70.16 ? 3 GLY B N 1 ATOM 2881 C CA . GLY B 1 8 ? 217.057 77.088 27.857 1.00 72.96 ? 3 GLY B CA 1 ATOM 2882 C C . GLY B 1 8 ? 217.125 78.299 28.762 1.00 75.23 ? 3 GLY B C 1 ATOM 2883 O O . GLY B 1 8 ? 216.540 79.339 28.467 1.00 74.18 ? 3 GLY B O 1 ATOM 2884 N N . CYS B 1 9 ? 217.841 78.159 29.871 1.00 65.00 ? 4 CYS B N 1 ATOM 2885 C CA . CYS B 1 9 ? 218.020 79.262 30.804 1.00 68.43 ? 4 CYS B CA 1 ATOM 2886 C C . CYS B 1 9 ? 219.489 79.448 31.146 1.00 66.37 ? 4 CYS B C 1 ATOM 2887 O O . CYS B 1 9 ? 220.163 78.499 31.526 1.00 62.54 ? 4 CYS B O 1 ATOM 2888 C CB . CYS B 1 9 ? 217.210 79.022 32.081 1.00 66.10 ? 4 CYS B CB 1 ATOM 2889 S SG . CYS B 1 9 ? 215.506 78.495 31.800 1.00 80.90 ? 4 CYS B SG 1 ATOM 2890 N N . SER B 1 10 ? 219.980 80.673 31.003 1.00 59.98 ? 5 SER B N 1 ATOM 2891 C CA . SER B 1 10 ? 221.314 81.013 31.467 1.00 66.61 ? 5 SER B CA 1 ATOM 2892 C C . SER B 1 10 ? 221.217 81.528 32.898 1.00 68.80 ? 5 SER B C 1 ATOM 2893 O O . SER B 1 10 ? 220.229 82.173 33.267 1.00 75.01 ? 5 SER B O 1 ATOM 2894 C CB . SER B 1 10 ? 221.966 82.052 30.556 1.00 69.34 ? 5 SER B CB 1 ATOM 2895 O OG . SER B 1 10 ? 222.153 81.531 29.250 1.00 59.07 ? 5 SER B OG 1 ATOM 2896 N N . VAL B 1 11 ? 222.237 81.238 33.701 1.00 68.02 ? 6 VAL B N 1 ATOM 2897 C CA . VAL B 1 11 ? 222.196 81.568 35.121 1.00 67.66 ? 6 VAL B CA 1 ATOM 2898 C C . VAL B 1 11 ? 223.145 82.694 35.479 1.00 71.76 ? 6 VAL B C 1 ATOM 2899 O O . VAL B 1 11 ? 224.349 82.600 35.256 1.00 79.94 ? 6 VAL B O 1 ATOM 2900 C CB . VAL B 1 11 ? 222.537 80.358 35.992 1.00 67.44 ? 6 VAL B CB 1 ATOM 2901 C CG1 . VAL B 1 11 ? 222.364 80.713 37.460 1.00 72.72 ? 6 VAL B CG1 1 ATOM 2902 C CG2 . VAL B 1 11 ? 221.662 79.178 35.614 1.00 68.03 ? 6 VAL B CG2 1 ATOM 2903 N N . ASP B 1 12 ? 222.625 83.756 36.037 1.00 72.47 ? 7 ASP B N 1 ATOM 2904 C CA . ASP B 1 12 ? 223.528 84.677 36.636 1.00 82.70 ? 7 ASP B CA 1 ATOM 2905 C C . ASP B 1 12 ? 223.402 84.373 38.063 1.00 90.07 ? 7 ASP B C 1 ATOM 2906 O O . ASP B 1 12 ? 222.420 84.735 38.664 1.00 101.70 ? 7 ASP B O 1 ATOM 2907 C CB . ASP B 1 12 ? 223.126 86.124 36.436 1.00 85.96 ? 7 ASP B CB 1 ATOM 2908 C CG . ASP B 1 12 ? 224.061 87.081 37.146 1.00 90.85 ? 7 ASP B CG 1 ATOM 2909 O OD1 . ASP B 1 12 ? 223.791 88.290 37.182 1.00 98.08 ? 7 ASP B OD1 1 ATOM 2910 O OD2 . ASP B 1 12 ? 225.082 86.627 37.676 1.00 91.21 ? 7 ASP B OD2 1 ATOM 2911 N N . PHE B 1 13 ? 224.551 83.989 38.582 1.00 91.13 ? 8 PHE B N 1 ATOM 2912 C CA . PHE B 1 13 ? 224.834 83.247 39.772 1.00 96.83 ? 8 PHE B CA 1 ATOM 2913 C C . PHE B 1 13 ? 225.263 84.058 41.003 1.00 106.66 ? 8 PHE B C 1 ATOM 2914 O O . PHE B 1 13 ? 226.214 83.687 41.728 1.00 109.56 ? 8 PHE B O 1 ATOM 2915 C CB . PHE B 1 13 ? 225.958 82.289 39.366 1.00 98.18 ? 8 PHE B CB 1 ATOM 2916 C CG . PHE B 1 13 ? 225.613 80.858 39.424 1.00 100.02 ? 8 PHE B CG 1 ATOM 2917 C CD1 . PHE B 1 13 ? 226.329 79.970 38.673 1.00 101.59 ? 8 PHE B CD1 1 ATOM 2918 C CD2 . PHE B 1 13 ? 224.617 80.403 40.220 1.00 97.02 ? 8 PHE B CD2 1 ATOM 2919 C CE1 . PHE B 1 13 ? 226.042 78.641 38.696 1.00 97.99 ? 8 PHE B CE1 1 ATOM 2920 C CE2 . PHE B 1 13 ? 224.318 79.072 40.252 1.00 92.42 ? 8 PHE B CE2 1 ATOM 2921 C CZ . PHE B 1 13 ? 225.033 78.190 39.493 1.00 93.53 ? 8 PHE B CZ 1 ATOM 2922 N N . SER B 1 14 ? 224.607 85.175 41.255 1.00 122.49 ? 9 SER B N 1 ATOM 2923 C CA . SER B 1 14 ? 224.951 85.990 42.412 1.00 125.31 ? 9 SER B CA 1 ATOM 2924 C C . SER B 1 14 ? 223.953 87.094 42.580 1.00 117.65 ? 9 SER B C 1 ATOM 2925 O O . SER B 1 14 ? 223.564 87.460 43.689 1.00 117.27 ? 9 SER B O 1 ATOM 2926 C CB . SER B 1 14 ? 226.247 86.761 42.167 1.00 131.56 ? 9 SER B CB 1 ATOM 2927 O OG . SER B 1 14 ? 226.999 86.174 41.120 1.00 127.53 ? 9 SER B OG 1 ATOM 2928 N N . LYS B 1 15 ? 223.522 87.604 41.438 1.00 95.07 ? 10 LYS B N 1 ATOM 2929 C CA . LYS B 1 15 ? 222.258 88.212 41.224 1.00 98.39 ? 10 LYS B CA 1 ATOM 2930 C C . LYS B 1 15 ? 220.962 87.522 41.439 1.00 98.91 ? 10 LYS B C 1 ATOM 2931 O O . LYS B 1 15 ? 219.935 88.130 41.640 1.00 99.36 ? 10 LYS B O 1 ATOM 2932 C CB . LYS B 1 15 ? 222.734 88.523 39.828 1.00 96.71 ? 10 LYS B CB 1 ATOM 2933 C CG . LYS B 1 15 ? 222.570 89.969 39.433 1.00 103.10 ? 10 LYS B CG 1 ATOM 2934 C CD . LYS B 1 15 ? 222.568 90.118 37.927 1.00 111.02 ? 10 LYS B CD 1 ATOM 2935 C CE . LYS B 1 15 ? 223.981 90.123 37.382 1.00 107.37 ? 10 LYS B CE 1 ATOM 2936 N NZ . LYS B 1 15 ? 224.578 91.483 37.462 1.00 99.88 ? 10 LYS B NZ 1 ATOM 2937 N N . LYS B 1 16 ? 221.025 86.208 41.420 1.00 116.96 ? 11 LYS B N 1 ATOM 2938 C CA . LYS B 1 16 ? 219.793 85.446 41.560 1.00 118.56 ? 11 LYS B CA 1 ATOM 2939 C C . LYS B 1 16 ? 218.902 85.612 40.354 1.00 118.31 ? 11 LYS B C 1 ATOM 2940 O O . LYS B 1 16 ? 217.733 85.310 40.397 1.00 120.13 ? 11 LYS B O 1 ATOM 2941 C CB . LYS B 1 16 ? 219.029 85.863 42.820 1.00 117.13 ? 11 LYS B CB 1 ATOM 2942 C CG . LYS B 1 16 ? 219.181 87.333 43.231 1.00 123.52 ? 11 LYS B CG 1 ATOM 2943 C CD . LYS B 1 16 ? 218.172 87.782 44.294 1.00 134.76 ? 11 LYS B CD 1 ATOM 2944 C CE . LYS B 1 16 ? 218.845 88.419 45.509 1.00 140.01 ? 11 LYS B CE 1 ATOM 2945 N NZ . LYS B 1 16 ? 218.029 88.317 46.755 1.00 140.45 ? 11 LYS B NZ 1 ATOM 2946 N N . GLU B 1 17 ? 219.476 86.114 39.282 1.00 104.95 ? 12 GLU B N 1 ATOM 2947 C CA . GLU B 1 17 ? 218.771 86.361 38.046 1.00 100.03 ? 12 GLU B CA 1 ATOM 2948 C C . GLU B 1 17 ? 218.816 85.101 37.246 1.00 87.34 ? 12 GLU B C 1 ATOM 2949 O O . GLU B 1 17 ? 219.607 84.239 37.522 1.00 87.81 ? 12 GLU B O 1 ATOM 2950 C CB . GLU B 1 17 ? 219.444 87.472 37.267 1.00 101.83 ? 12 GLU B CB 1 ATOM 2951 C CG . GLU B 1 17 ? 219.056 88.858 37.708 1.00 109.86 ? 12 GLU B CG 1 ATOM 2952 C CD . GLU B 1 17 ? 217.844 89.354 36.976 1.00 123.36 ? 12 GLU B CD 1 ATOM 2953 O OE1 . GLU B 1 17 ? 217.750 89.130 35.761 1.00 144.16 ? 12 GLU B OE1 1 ATOM 2954 O OE2 . GLU B 1 17 ? 216.980 89.971 37.616 1.00 136.38 ? 12 GLU B OE2 1 ATOM 2955 N N . THR B 1 18 ? 217.968 84.987 36.244 1.00 84.69 ? 13 THR B N 1 ATOM 2956 C CA . THR B 1 18 ? 217.928 83.743 35.488 1.00 80.87 ? 13 THR B CA 1 ATOM 2957 C C . THR B 1 18 ? 217.186 83.936 34.185 1.00 80.57 ? 13 THR B C 1 ATOM 2958 O O . THR B 1 18 ? 215.960 84.001 34.169 1.00 92.22 ? 13 THR B O 1 ATOM 2959 C CB . THR B 1 18 ? 217.247 82.606 36.283 1.00 84.07 ? 13 THR B CB 1 ATOM 2960 O OG1 . THR B 1 18 ? 216.814 81.589 35.374 1.00 81.96 ? 13 THR B OG1 1 ATOM 2961 C CG2 . THR B 1 18 ? 216.043 83.122 37.056 1.00 93.66 ? 13 THR B CG2 1 ATOM 2962 N N . ARG B 1 19 ? 217.919 84.018 33.083 1.00 81.35 ? 14 ARG B N 1 ATOM 2963 C CA . ARG B 1 19 ? 217.263 84.364 31.828 1.00 81.91 ? 14 ARG B CA 1 ATOM 2964 C C . ARG B 1 19 ? 216.951 83.169 30.955 1.00 84.89 ? 14 ARG B C 1 ATOM 2965 O O . ARG B 1 19 ? 217.851 82.512 30.436 1.00 81.41 ? 14 ARG B O 1 ATOM 2966 C CB . ARG B 1 19 ? 218.102 85.336 31.018 1.00 80.45 ? 14 ARG B CB 1 ATOM 2967 C CG . ARG B 1 19 ? 217.483 85.632 29.673 1.00 87.57 ? 14 ARG B CG 1 ATOM 2968 C CD . ARG B 1 19 ? 218.178 86.784 29.028 1.00 98.35 ? 14 ARG B CD 1 ATOM 2969 N NE . ARG B 1 19 ? 219.198 86.342 28.089 1.00 100.50 ? 14 ARG B NE 1 ATOM 2970 C CZ . ARG B 1 19 ? 219.045 86.378 26.772 1.00 96.24 ? 14 ARG B CZ 1 ATOM 2971 N NH1 . ARG B 1 19 ? 220.018 85.967 25.973 1.00 91.24 ? 14 ARG B NH1 1 ATOM 2972 N NH2 . ARG B 1 19 ? 217.913 86.837 26.258 1.00 91.68 ? 14 ARG B NH2 1 ATOM 2973 N N . CYS B 1 20 ? 215.666 82.908 30.766 1.00 79.72 ? 15 CYS B N 1 ATOM 2974 C CA . CYS B 1 20 ? 215.261 81.813 29.910 1.00 80.76 ? 15 CYS B CA 1 ATOM 2975 C C . CYS B 1 20 ? 214.831 82.340 28.547 1.00 81.21 ? 15 CYS B C 1 ATOM 2976 O O . CYS B 1 20 ? 214.621 83.540 28.362 1.00 88.27 ? 15 CYS B O 1 ATOM 2977 C CB . CYS B 1 20 ? 214.136 81.014 30.549 1.00 71.31 ? 15 CYS B CB 1 ATOM 2978 S SG . CYS B 1 20 ? 214.606 80.298 32.152 1.00 74.34 ? 15 CYS B SG 1 ATOM 2979 N N . GLY B 1 21 ? 214.709 81.431 27.588 1.00 70.93 ? 16 GLY B N 1 ATOM 2980 C CA . GLY B 1 21 ? 214.336 81.786 26.231 1.00 59.75 ? 16 GLY B CA 1 ATOM 2981 C C . GLY B 1 21 ? 214.575 80.626 25.290 1.00 73.76 ? 16 GLY B C 1 ATOM 2982 O O . GLY B 1 21 ? 214.893 79.525 25.727 1.00 76.12 ? 16 GLY B O 1 ATOM 2983 N N . THR B 1 22 ? 214.420 80.873 23.995 1.00 76.93 ? 17 THR B N 1 ATOM 2984 C CA . THR B 1 22 ? 214.617 79.833 22.993 1.00 75.18 ? 17 THR B CA 1 ATOM 2985 C C . THR B 1 22 ? 215.785 80.164 22.074 1.00 74.20 ? 17 THR B C 1 ATOM 2986 O O . THR B 1 22 ? 216.113 81.333 21.874 1.00 73.93 ? 17 THR B O 1 ATOM 2987 C CB . THR B 1 22 ? 213.352 79.623 22.138 1.00 79.08 ? 17 THR B CB 1 ATOM 2988 O OG1 . THR B 1 22 ? 213.637 78.704 21.076 1.00 81.36 ? 17 THR B OG1 1 ATOM 2989 C CG2 . THR B 1 22 ? 212.888 80.941 21.545 1.00 77.70 ? 17 THR B CG2 1 ATOM 2990 N N . GLY B 1 23 ? 216.416 79.132 21.522 1.00 62.62 ? 18 GLY B N 1 ATOM 2991 C CA . GLY B 1 23 ? 217.527 79.330 20.609 1.00 68.90 ? 18 GLY B CA 1 ATOM 2992 C C . GLY B 1 23 ? 218.438 78.125 20.451 1.00 72.55 ? 18 GLY B C 1 ATOM 2993 O O . GLY B 1 23 ? 217.999 76.978 20.535 1.00 70.70 ? 18 GLY B O 1 ATOM 2994 N N . VAL B 1 24 ? 219.718 78.396 20.213 1.00 68.92 ? 19 VAL B N 1 ATOM 2995 C CA . VAL B 1 24 ? 220.704 77.345 19.983 1.00 66.82 ? 19 VAL B CA 1 ATOM 2996 C C . VAL B 1 24 ? 221.806 77.395 21.035 1.00 58.80 ? 19 VAL B C 1 ATOM 2997 O O . VAL B 1 24 ? 222.382 78.452 21.295 1.00 63.23 ? 19 VAL B O 1 ATOM 2998 C CB . VAL B 1 24 ? 221.326 77.459 18.578 1.00 54.72 ? 19 VAL B CB 1 ATOM 2999 C CG1 . VAL B 1 24 ? 222.402 76.406 18.383 1.00 52.97 ? 19 VAL B CG1 1 ATOM 3000 C CG2 . VAL B 1 24 ? 220.248 77.328 17.519 1.00 53.89 ? 19 VAL B CG2 1 ATOM 3001 N N . PHE B 1 25 ? 222.097 76.246 21.636 1.00 58.71 ? 20 PHE B N 1 ATOM 3002 C CA . PHE B 1 25 ? 222.990 76.189 22.786 1.00 62.22 ? 20 PHE B CA 1 ATOM 3003 C C . PHE B 1 25 ? 224.124 75.187 22.583 1.00 64.90 ? 20 PHE B C 1 ATOM 3004 O O . PHE B 1 25 ? 223.885 73.990 22.420 1.00 54.96 ? 20 PHE B O 1 ATOM 3005 C CB . PHE B 1 25 ? 222.190 75.833 24.040 1.00 64.53 ? 20 PHE B CB 1 ATOM 3006 C CG . PHE B 1 25 ? 220.915 76.618 24.183 1.00 60.50 ? 20 PHE B CG 1 ATOM 3007 C CD1 . PHE B 1 25 ? 220.930 78.002 24.136 1.00 66.68 ? 20 PHE B CD1 1 ATOM 3008 C CD2 . PHE B 1 25 ? 219.700 75.971 24.337 1.00 58.44 ? 20 PHE B CD2 1 ATOM 3009 C CE1 . PHE B 1 25 ? 219.762 78.727 24.252 1.00 67.17 ? 20 PHE B CE1 1 ATOM 3010 C CE2 . PHE B 1 25 ? 218.529 76.691 24.457 1.00 65.27 ? 20 PHE B CE2 1 ATOM 3011 C CZ . PHE B 1 25 ? 218.560 78.071 24.414 1.00 69.18 ? 20 PHE B CZ 1 ATOM 3012 N N . VAL B 1 26 ? 225.356 75.688 22.595 1.00 57.30 ? 21 VAL B N 1 ATOM 3013 C CA . VAL B 1 26 ? 226.534 74.845 22.432 1.00 52.88 ? 21 VAL B CA 1 ATOM 3014 C C . VAL B 1 26 ? 227.250 74.658 23.764 1.00 49.05 ? 21 VAL B C 1 ATOM 3015 O O . VAL B 1 26 ? 227.895 75.576 24.263 1.00 60.55 ? 21 VAL B O 1 ATOM 3016 C CB . VAL B 1 26 ? 227.520 75.444 21.406 1.00 54.22 ? 21 VAL B CB 1 ATOM 3017 C CG1 . VAL B 1 26 ? 228.748 74.556 21.268 1.00 51.67 ? 21 VAL B CG1 1 ATOM 3018 C CG2 . VAL B 1 26 ? 226.839 75.636 20.063 1.00 47.00 ? 21 VAL B CG2 1 ATOM 3019 N N . TYR B 1 27 ? 227.134 73.469 24.341 1.00 48.74 ? 22 TYR B N 1 ATOM 3020 C CA . TYR B 1 27 ? 227.754 73.197 25.632 1.00 58.80 ? 22 TYR B CA 1 ATOM 3021 C C . TYR B 1 27 ? 229.151 72.610 25.476 1.00 66.82 ? 22 TYR B C 1 ATOM 3022 O O . TYR B 1 27 ? 229.465 71.986 24.461 1.00 62.74 ? 22 TYR B O 1 ATOM 3023 C CB . TYR B 1 27 ? 226.885 72.247 26.460 1.00 61.03 ? 22 TYR B CB 1 ATOM 3024 C CG . TYR B 1 27 ? 225.580 72.850 26.927 1.00 66.56 ? 22 TYR B CG 1 ATOM 3025 C CD1 . TYR B 1 27 ? 225.512 73.573 28.111 1.00 70.98 ? 22 TYR B CD1 1 ATOM 3026 C CD2 . TYR B 1 27 ? 224.417 72.695 26.186 1.00 59.51 ? 22 TYR B CD2 1 ATOM 3027 C CE1 . TYR B 1 27 ? 224.319 74.127 28.543 1.00 73.65 ? 22 TYR B CE1 1 ATOM 3028 C CE2 . TYR B 1 27 ? 223.222 73.245 26.607 1.00 70.74 ? 22 TYR B CE2 1 ATOM 3029 C CZ . TYR B 1 27 ? 223.178 73.960 27.786 1.00 74.47 ? 22 TYR B CZ 1 ATOM 3030 O OH . TYR B 1 27 ? 221.988 74.509 28.207 1.00 73.12 ? 22 TYR B OH 1 ATOM 3031 N N . ASN B 1 28 ? 229.987 72.818 26.487 1.00 64.01 ? 23 ASN B N 1 ATOM 3032 C CA . ASN B 1 28 ? 231.293 72.178 26.534 1.00 60.06 ? 23 ASN B CA 1 ATOM 3033 C C . ASN B 1 28 ? 231.124 70.694 26.841 1.00 71.55 ? 23 ASN B C 1 ATOM 3034 O O . ASN B 1 28 ? 231.306 70.255 27.976 1.00 71.47 ? 23 ASN B O 1 ATOM 3035 C CB . ASN B 1 28 ? 232.189 72.852 27.576 1.00 63.70 ? 23 ASN B CB 1 ATOM 3036 C CG . ASN B 1 28 ? 233.645 72.439 27.455 1.00 54.90 ? 23 ASN B CG 1 ATOM 3037 O OD1 . ASN B 1 28 ? 233.957 71.285 27.164 1.00 67.55 ? 23 ASN B OD1 1 ATOM 3038 N ND2 . ASN B 1 28 ? 234.546 73.387 27.680 1.00 50.73 ? 23 ASN B ND2 1 ATOM 3039 N N . ASP B 1 29 ? 230.765 69.931 25.814 1.00 110.64 ? 24 ASP B N 1 ATOM 3040 C CA . ASP B 1 29 ? 230.565 68.493 25.945 1.00 114.86 ? 24 ASP B CA 1 ATOM 3041 C C . ASP B 1 29 ? 231.851 67.728 25.693 1.00 124.36 ? 24 ASP B C 1 ATOM 3042 O O . ASP B 1 29 ? 231.806 66.564 25.292 1.00 129.34 ? 24 ASP B O 1 ATOM 3043 C CB . ASP B 1 29 ? 229.489 68.003 24.973 1.00 106.18 ? 24 ASP B CB 1 ATOM 3044 C CG . ASP B 1 29 ? 228.093 68.137 25.531 1.00 121.60 ? 24 ASP B CG 1 ATOM 3045 O OD1 . ASP B 1 29 ? 227.745 67.362 26.446 1.00 134.09 ? 24 ASP B OD1 1 ATOM 3046 O OD2 . ASP B 1 29 ? 227.338 69.008 25.051 1.00 128.48 ? 24 ASP B OD2 1 ATOM 3047 N N . VAL B 1 30 ? 232.990 68.380 25.924 1.00 103.60 ? 25 VAL B N 1 ATOM 3048 C CA . VAL B 1 30 ? 234.289 67.784 25.622 1.00 113.19 ? 25 VAL B CA 1 ATOM 3049 C C . VAL B 1 30 ? 234.421 66.436 26.325 1.00 127.02 ? 25 VAL B C 1 ATOM 3050 O O . VAL B 1 30 ? 233.838 66.229 27.395 1.00 129.15 ? 25 VAL B O 1 ATOM 3051 C CB . VAL B 1 30 ? 235.457 68.726 26.012 1.00 99.52 ? 25 VAL B CB 1 ATOM 3052 C CG1 . VAL B 1 30 ? 236.215 68.207 27.229 1.00 95.88 ? 25 VAL B CG1 1 ATOM 3053 C CG2 . VAL B 1 30 ? 236.394 68.919 24.826 1.00 80.87 ? 25 VAL B CG2 1 ATOM 3054 N N . TYR B 1 39 ? 226.180 52.470 22.041 1.00 145.41 ? 34 TYR B N 1 ATOM 3055 C CA . TYR B 1 39 ? 226.374 52.707 20.614 1.00 139.09 ? 34 TYR B CA 1 ATOM 3056 C C . TYR B 1 39 ? 225.693 51.649 19.753 1.00 144.98 ? 34 TYR B C 1 ATOM 3057 O O . TYR B 1 39 ? 225.731 50.452 20.061 1.00 148.57 ? 34 TYR B O 1 ATOM 3058 C CB . TYR B 1 39 ? 227.865 52.767 20.284 1.00 127.82 ? 34 TYR B CB 1 ATOM 3059 C CG . TYR B 1 39 ? 228.633 53.755 21.132 1.00 125.65 ? 34 TYR B CG 1 ATOM 3060 C CD1 . TYR B 1 39 ? 228.705 55.096 20.777 1.00 122.94 ? 34 TYR B CD1 1 ATOM 3061 C CD2 . TYR B 1 39 ? 229.286 53.346 22.288 1.00 127.37 ? 34 TYR B CD2 1 ATOM 3062 C CE1 . TYR B 1 39 ? 229.407 56.002 21.550 1.00 119.37 ? 34 TYR B CE1 1 ATOM 3063 C CE2 . TYR B 1 39 ? 229.991 54.245 23.067 1.00 128.35 ? 34 TYR B CE2 1 ATOM 3064 C CZ . TYR B 1 39 ? 230.048 55.571 22.693 1.00 122.86 ? 34 TYR B CZ 1 ATOM 3065 O OH . TYR B 1 39 ? 230.748 56.470 23.465 1.00 122.99 ? 34 TYR B OH 1 ATOM 3066 N N . HIS B 1 40 ? 225.074 52.106 18.668 1.00 171.31 ? 35 HIS B N 1 ATOM 3067 C CA . HIS B 1 40 ? 224.374 51.225 17.742 1.00 170.65 ? 35 HIS B CA 1 ATOM 3068 C C . HIS B 1 40 ? 224.954 51.350 16.332 1.00 158.64 ? 35 HIS B C 1 ATOM 3069 O O . HIS B 1 40 ? 224.342 51.966 15.453 1.00 156.26 ? 35 HIS B O 1 ATOM 3070 C CB . HIS B 1 40 ? 222.874 51.542 17.731 1.00 173.51 ? 35 HIS B CB 1 ATOM 3071 C CG . HIS B 1 40 ? 222.249 51.577 19.093 1.00 176.82 ? 35 HIS B CG 1 ATOM 3072 N ND1 . HIS B 1 40 ? 221.808 50.443 19.742 1.00 182.70 ? 35 HIS B ND1 1 ATOM 3073 C CD2 . HIS B 1 40 ? 221.988 52.612 19.928 1.00 170.70 ? 35 HIS B CD2 1 ATOM 3074 C CE1 . HIS B 1 40 ? 221.303 50.777 20.917 1.00 179.89 ? 35 HIS B CE1 1 ATOM 3075 N NE2 . HIS B 1 40 ? 221.401 52.087 21.054 1.00 174.26 ? 35 HIS B NE2 1 ATOM 3076 N N . PRO B 1 41 ? 226.149 50.776 16.114 1.00 111.40 ? 36 PRO B N 1 ATOM 3077 C CA . PRO B 1 41 ? 226.759 50.794 14.781 1.00 108.78 ? 36 PRO B CA 1 ATOM 3078 C C . PRO B 1 41 ? 226.050 49.828 13.833 1.00 110.49 ? 36 PRO B C 1 ATOM 3079 O O . PRO B 1 41 ? 226.443 48.662 13.733 1.00 109.24 ? 36 PRO B O 1 ATOM 3080 C CB . PRO B 1 41 ? 228.200 50.356 15.053 1.00 107.17 ? 36 PRO B CB 1 ATOM 3081 C CG . PRO B 1 41 ? 228.097 49.485 16.258 1.00 109.73 ? 36 PRO B CG 1 ATOM 3082 C CD . PRO B 1 41 ? 226.989 50.065 17.097 1.00 113.68 ? 36 PRO B CD 1 ATOM 3083 N N . ASP B 1 42 ? 225.011 50.322 13.158 1.00 131.06 ? 37 ASP B N 1 ATOM 3084 C CA . ASP B 1 42 ? 224.161 49.503 12.291 1.00 131.78 ? 37 ASP B CA 1 ATOM 3085 C C . ASP B 1 42 ? 223.495 48.360 13.054 1.00 140.27 ? 37 ASP B C 1 ATOM 3086 O O . ASP B 1 42 ? 223.567 48.286 14.282 1.00 139.75 ? 37 ASP B O 1 ATOM 3087 C CB . ASP B 1 42 ? 224.965 48.927 11.117 1.00 130.57 ? 37 ASP B CB 1 ATOM 3088 C CG . ASP B 1 42 ? 225.042 49.871 9.940 1.00 122.52 ? 37 ASP B CG 1 ATOM 3089 O OD1 . ASP B 1 42 ? 224.090 49.891 9.131 1.00 132.37 ? 37 ASP B OD1 1 ATOM 3090 O OD2 . ASP B 1 42 ? 226.059 50.581 9.813 1.00 115.98 ? 37 ASP B OD2 1 ATOM 3091 N N . SER B 1 43 ? 222.833 47.477 12.315 1.00 157.27 ? 38 SER B N 1 ATOM 3092 C CA . SER B 1 43 ? 222.400 46.209 12.874 1.00 159.29 ? 38 SER B CA 1 ATOM 3093 C C . SER B 1 43 ? 223.635 45.330 13.010 1.00 159.34 ? 38 SER B C 1 ATOM 3094 O O . SER B 1 43 ? 224.522 45.375 12.153 1.00 152.67 ? 38 SER B O 1 ATOM 3095 C CB . SER B 1 43 ? 221.344 45.538 11.992 1.00 159.29 ? 38 SER B CB 1 ATOM 3096 O OG . SER B 1 43 ? 221.903 45.102 10.765 1.00 165.00 ? 38 SER B OG 1 ATOM 3097 N N . PRO B 1 44 ? 223.705 44.543 14.094 1.00 170.14 ? 39 PRO B N 1 ATOM 3098 C CA . PRO B 1 44 ? 224.828 43.649 14.399 1.00 166.82 ? 39 PRO B CA 1 ATOM 3099 C C . PRO B 1 44 ? 225.269 42.819 13.198 1.00 164.42 ? 39 PRO B C 1 ATOM 3100 O O . PRO B 1 44 ? 226.469 42.687 12.928 1.00 160.72 ? 39 PRO B O 1 ATOM 3101 C CB . PRO B 1 44 ? 224.263 42.758 15.503 1.00 171.35 ? 39 PRO B CB 1 ATOM 3102 C CG . PRO B 1 44 ? 223.279 43.622 16.201 1.00 177.63 ? 39 PRO B CG 1 ATOM 3103 C CD . PRO B 1 44 ? 222.661 44.484 15.133 1.00 174.43 ? 39 PRO B CD 1 ATOM 3104 N N . ARG B 1 45 ? 224.290 42.286 12.477 1.00 159.15 ? 40 ARG B N 1 ATOM 3105 C CA . ARG B 1 45 ? 224.546 41.453 11.312 1.00 160.86 ? 40 ARG B CA 1 ATOM 3106 C C . ARG B 1 45 ? 225.202 42.245 10.188 1.00 159.04 ? 40 ARG B C 1 ATOM 3107 O O . ARG B 1 45 ? 226.126 41.759 9.529 1.00 157.40 ? 40 ARG B O 1 ATOM 3108 C CB . ARG B 1 45 ? 223.243 40.828 10.819 1.00 165.26 ? 40 ARG B CB 1 ATOM 3109 C CG . ARG B 1 45 ? 222.339 40.346 11.938 1.00 171.21 ? 40 ARG B CG 1 ATOM 3110 C CD . ARG B 1 45 ? 221.609 39.076 11.544 1.00 177.29 ? 40 ARG B CD 1 ATOM 3111 N NE . ARG B 1 45 ? 220.700 39.275 10.420 1.00 176.14 ? 40 ARG B NE 1 ATOM 3112 C CZ . ARG B 1 45 ? 219.390 39.455 10.548 1.00 176.97 ? 40 ARG B CZ 1 ATOM 3113 N NH1 . ARG B 1 45 ? 218.834 39.462 11.752 1.00 176.95 ? 40 ARG B NH1 1 ATOM 3114 N NH2 . ARG B 1 45 ? 218.635 39.628 9.471 1.00 173.88 ? 40 ARG B NH2 1 ATOM 3115 N N . ARG B 1 46 ? 224.722 43.466 9.973 1.00 152.82 ? 41 ARG B N 1 ATOM 3116 C CA . ARG B 1 46 ? 225.241 44.312 8.905 1.00 152.40 ? 41 ARG B CA 1 ATOM 3117 C C . ARG B 1 46 ? 226.698 44.690 9.179 1.00 148.95 ? 41 ARG B C 1 ATOM 3118 O O . ARG B 1 46 ? 227.543 44.652 8.277 1.00 141.75 ? 41 ARG B O 1 ATOM 3119 C CB . ARG B 1 46 ? 224.374 45.566 8.744 1.00 150.44 ? 41 ARG B CB 1 ATOM 3120 C CG . ARG B 1 46 ? 224.316 46.105 7.319 1.00 152.01 ? 41 ARG B CG 1 ATOM 3121 C CD . ARG B 1 46 ? 223.415 47.331 7.211 1.00 155.08 ? 41 ARG B CD 1 ATOM 3122 N NE . ARG B 1 46 ? 221.997 47.008 7.346 1.00 164.12 ? 41 ARG B NE 1 ATOM 3123 C CZ . ARG B 1 46 ? 221.025 47.915 7.375 1.00 171.16 ? 41 ARG B CZ 1 ATOM 3124 N NH1 . ARG B 1 46 ? 221.318 49.207 7.286 1.00 166.60 ? 41 ARG B NH1 1 ATOM 3125 N NH2 . ARG B 1 46 ? 219.760 47.534 7.498 1.00 172.26 ? 41 ARG B NH2 1 ATOM 3126 N N . LEU B 1 47 ? 226.988 45.039 10.430 1.00 121.52 ? 42 LEU B N 1 ATOM 3127 C CA . LEU B 1 47 ? 228.349 45.375 10.835 1.00 115.71 ? 42 LEU B CA 1 ATOM 3128 C C . LEU B 1 47 ? 229.267 44.167 10.694 1.00 121.06 ? 42 LEU B C 1 ATOM 3129 O O . LEU B 1 47 ? 230.377 44.277 10.166 1.00 115.73 ? 42 LEU B O 1 ATOM 3130 C CB . LEU B 1 47 ? 228.376 45.890 12.276 1.00 115.89 ? 42 LEU B CB 1 ATOM 3131 C CG . LEU B 1 47 ? 229.745 46.341 12.794 1.00 109.88 ? 42 LEU B CG 1 ATOM 3132 C CD1 . LEU B 1 47 ? 230.284 47.496 11.961 1.00 101.14 ? 42 LEU B CD1 1 ATOM 3133 C CD2 . LEU B 1 47 ? 229.666 46.730 14.262 1.00 111.14 ? 42 LEU B CD2 1 ATOM 3134 N N . ALA B 1 48 ? 228.794 43.016 11.169 1.00 134.01 ? 43 ALA B N 1 ATOM 3135 C CA . ALA B 1 48 ? 229.549 41.772 11.060 1.00 130.43 ? 43 ALA B CA 1 ATOM 3136 C C . ALA B 1 48 ? 229.905 41.474 9.606 1.00 129.98 ? 43 ALA B C 1 ATOM 3137 O O . ALA B 1 48 ? 231.051 41.142 9.291 1.00 128.33 ? 43 ALA B O 1 ATOM 3138 C CB . ALA B 1 48 ? 228.759 40.619 11.661 1.00 138.64 ? 43 ALA B CB 1 ATOM 3139 N N . ALA B 1 49 ? 228.916 41.604 8.725 1.00 149.98 ? 44 ALA B N 1 ATOM 3140 C CA . ALA B 1 49 ? 229.124 41.401 7.295 1.00 152.88 ? 44 ALA B CA 1 ATOM 3141 C C . ALA B 1 49 ? 230.152 42.390 6.754 1.00 151.07 ? 44 ALA B C 1 ATOM 3142 O O . ALA B 1 49 ? 231.000 42.034 5.928 1.00 145.52 ? 44 ALA B O 1 ATOM 3143 C CB . ALA B 1 49 ? 227.809 41.534 6.541 1.00 155.57 ? 44 ALA B CB 1 ATOM 3144 N N . ALA B 1 50 ? 230.074 43.630 7.232 1.00 151.19 ? 45 ALA B N 1 ATOM 3145 C CA . ALA B 1 50 ? 231.022 44.665 6.833 1.00 144.72 ? 45 ALA B CA 1 ATOM 3146 C C . ALA B 1 50 ? 232.448 44.295 7.231 1.00 137.96 ? 45 ALA B C 1 ATOM 3147 O O . ALA B 1 50 ? 233.394 44.576 6.497 1.00 136.31 ? 45 ALA B O 1 ATOM 3148 C CB . ALA B 1 50 ? 230.633 46.004 7.440 1.00 138.79 ? 45 ALA B CB 1 ATOM 3149 N N . VAL B 1 51 ? 232.598 43.662 8.391 1.00 101.11 ? 46 VAL B N 1 ATOM 3150 C CA . VAL B 1 51 ? 233.916 43.260 8.874 1.00 102.08 ? 46 VAL B CA 1 ATOM 3151 C C . VAL B 1 51 ? 234.450 42.056 8.096 1.00 110.58 ? 46 VAL B C 1 ATOM 3152 O O . VAL B 1 51 ? 235.635 42.011 7.728 1.00 109.12 ? 46 VAL B O 1 ATOM 3153 C CB . VAL B 1 51 ? 233.882 42.926 10.377 1.00 98.89 ? 46 VAL B CB 1 ATOM 3154 C CG1 . VAL B 1 51 ? 235.247 42.450 10.850 1.00 97.57 ? 46 VAL B CG1 1 ATOM 3155 C CG2 . VAL B 1 51 ? 233.433 44.140 11.175 1.00 98.11 ? 46 VAL B CG2 1 ATOM 3156 N N . LYS B 1 52 ? 233.577 41.083 7.845 1.00 122.70 ? 47 LYS B N 1 ATOM 3157 C CA . LYS B 1 52 ? 233.951 39.926 7.041 1.00 123.30 ? 47 LYS B CA 1 ATOM 3158 C C . LYS B 1 52 ? 234.443 40.384 5.674 1.00 126.35 ? 47 LYS B C 1 ATOM 3159 O O . LYS B 1 52 ? 235.521 39.986 5.225 1.00 131.67 ? 47 LYS B O 1 ATOM 3160 C CB . LYS B 1 52 ? 232.778 38.957 6.876 1.00 135.90 ? 47 LYS B CB 1 ATOM 3161 C CG . LYS B 1 52 ? 233.131 37.743 6.026 1.00 139.26 ? 47 LYS B CG 1 ATOM 3162 C CD . LYS B 1 52 ? 231.926 37.173 5.295 1.00 136.92 ? 47 LYS B CD 1 ATOM 3163 C CE . LYS B 1 52 ? 231.164 36.178 6.150 1.00 145.10 ? 47 LYS B CE 1 ATOM 3164 N NZ . LYS B 1 52 ? 230.127 35.463 5.356 1.00 151.86 ? 47 LYS B NZ 1 ATOM 3165 N N . GLN B 1 53 ? 233.653 41.235 5.025 1.00 120.64 ? 48 GLN B N 1 ATOM 3166 C CA . GLN B 1 53 ? 234.042 41.809 3.742 1.00 122.14 ? 48 GLN B CA 1 ATOM 3167 C C . GLN B 1 53 ? 235.326 42.617 3.872 1.00 121.34 ? 48 GLN B C 1 ATOM 3168 O O . GLN B 1 53 ? 236.139 42.658 2.950 1.00 117.21 ? 48 GLN B O 1 ATOM 3169 C CB . GLN B 1 53 ? 232.930 42.694 3.178 1.00 120.68 ? 48 GLN B CB 1 ATOM 3170 C CG . GLN B 1 53 ? 232.170 42.075 2.018 1.00 126.96 ? 48 GLN B CG 1 ATOM 3171 C CD . GLN B 1 53 ? 231.668 43.114 1.030 1.00 126.92 ? 48 GLN B CD 1 ATOM 3172 O OE1 . GLN B 1 53 ? 232.392 44.043 0.668 1.00 119.53 ? 48 GLN B OE1 1 ATOM 3173 N NE2 . GLN B 1 53 ? 230.423 42.964 0.591 1.00 135.03 ? 48 GLN B NE2 1 ATOM 3174 N N . ALA B 1 54 ? 235.499 43.261 5.023 1.00 125.12 ? 49 ALA B N 1 ATOM 3175 C CA . ALA B 1 54 ? 236.682 44.071 5.268 1.00 115.34 ? 49 ALA B CA 1 ATOM 3176 C C . ALA B 1 54 ? 237.934 43.214 5.183 1.00 119.02 ? 49 ALA B C 1 ATOM 3177 O O . ALA B 1 54 ? 238.886 43.575 4.492 1.00 119.87 ? 49 ALA B O 1 ATOM 3178 C CB . ALA B 1 54 ? 236.597 44.761 6.619 1.00 116.62 ? 49 ALA B CB 1 ATOM 3179 N N . TRP B 1 55 ? 237.934 42.073 5.868 1.00 129.00 ? 50 TRP B N 1 ATOM 3180 C CA . TRP B 1 55 ? 239.083 41.177 5.764 1.00 133.31 ? 50 TRP B CA 1 ATOM 3181 C C . TRP B 1 55 ? 239.186 40.641 4.340 1.00 134.68 ? 50 TRP B C 1 ATOM 3182 O O . TRP B 1 55 ? 240.246 40.709 3.717 1.00 137.61 ? 50 TRP B O 1 ATOM 3183 C CB . TRP B 1 55 ? 238.993 40.017 6.760 1.00 133.49 ? 50 TRP B CB 1 ATOM 3184 C CG . TRP B 1 55 ? 240.305 39.722 7.452 1.00 144.74 ? 50 TRP B CG 1 ATOM 3185 C CD1 . TRP B 1 55 ? 240.567 39.833 8.786 1.00 147.07 ? 50 TRP B CD1 1 ATOM 3186 C CD2 . TRP B 1 55 ? 241.531 39.288 6.839 1.00 148.34 ? 50 TRP B CD2 1 ATOM 3187 N NE1 . TRP B 1 55 ? 241.872 39.487 9.045 1.00 152.60 ? 50 TRP B NE1 1 ATOM 3188 C CE2 . TRP B 1 55 ? 242.486 39.151 7.867 1.00 152.24 ? 50 TRP B CE2 1 ATOM 3189 C CE3 . TRP B 1 55 ? 241.912 38.998 5.524 1.00 149.64 ? 50 TRP B CE3 1 ATOM 3190 C CZ2 . TRP B 1 55 ? 243.796 38.738 7.621 1.00 154.03 ? 50 TRP B CZ2 1 ATOM 3191 C CZ3 . TRP B 1 55 ? 243.213 38.591 5.282 1.00 152.15 ? 50 TRP B CZ3 1 ATOM 3192 C CH2 . TRP B 1 55 ? 244.138 38.464 6.325 1.00 156.35 ? 50 TRP B CH2 1 ATOM 3193 N N . GLU B 1 56 ? 238.070 40.144 3.815 1.00 125.70 ? 51 GLU B N 1 ATOM 3194 C CA . GLU B 1 56 ? 238.056 39.506 2.500 1.00 130.60 ? 51 GLU B CA 1 ATOM 3195 C C . GLU B 1 56 ? 238.443 40.440 1.352 1.00 129.43 ? 51 GLU B C 1 ATOM 3196 O O . GLU B 1 56 ? 238.647 39.989 0.226 1.00 132.24 ? 51 GLU B O 1 ATOM 3197 C CB . GLU B 1 56 ? 236.675 38.907 2.223 1.00 138.08 ? 51 GLU B CB 1 ATOM 3198 C CG . GLU B 1 56 ? 236.319 37.725 3.113 1.00 142.32 ? 51 GLU B CG 1 ATOM 3199 C CD . GLU B 1 56 ? 234.927 37.185 2.841 1.00 145.45 ? 51 GLU B CD 1 ATOM 3200 O OE1 . GLU B 1 56 ? 234.504 36.248 3.549 1.00 154.29 ? 51 GLU B OE1 1 ATOM 3201 O OE2 . GLU B 1 56 ? 234.257 37.696 1.918 1.00 136.71 ? 51 GLU B OE2 1 ATOM 3202 N N . ASP B 1 57 ? 238.544 41.735 1.632 1.00 147.13 ? 52 ASP B N 1 ATOM 3203 C CA . ASP B 1 57 ? 238.915 42.699 0.601 1.00 147.39 ? 52 ASP B CA 1 ATOM 3204 C C . ASP B 1 57 ? 240.250 43.377 0.900 1.00 142.19 ? 52 ASP B C 1 ATOM 3205 O O . ASP B 1 57 ? 240.613 44.360 0.252 1.00 148.19 ? 52 ASP B O 1 ATOM 3206 C CB . ASP B 1 57 ? 237.816 43.750 0.433 1.00 148.87 ? 52 ASP B CB 1 ATOM 3207 C CG . ASP B 1 57 ? 236.636 43.233 -0.368 1.00 148.36 ? 52 ASP B CG 1 ATOM 3208 O OD1 . ASP B 1 57 ? 235.819 42.474 0.194 1.00 151.47 ? 52 ASP B OD1 1 ATOM 3209 O OD2 . ASP B 1 57 ? 236.524 43.587 -1.561 1.00 148.29 ? 52 ASP B OD2 1 ATOM 3210 N N . GLY B 1 58 ? 240.976 42.852 1.881 1.00 114.16 ? 53 GLY B N 1 ATOM 3211 C CA . GLY B 1 58 ? 242.321 43.321 2.162 1.00 109.96 ? 53 GLY B CA 1 ATOM 3212 C C . GLY B 1 58 ? 242.462 44.147 3.424 1.00 105.07 ? 53 GLY B C 1 ATOM 3213 O O . GLY B 1 58 ? 243.549 44.232 3.997 1.00 108.21 ? 53 GLY B O 1 ATOM 3214 N N . ILE B 1 59 ? 241.368 44.762 3.858 1.00 96.18 ? 54 ILE B N 1 ATOM 3215 C CA . ILE B 1 59 ? 241.395 45.609 5.045 1.00 96.13 ? 54 ILE B CA 1 ATOM 3216 C C . ILE B 1 59 ? 241.592 44.776 6.306 1.00 96.05 ? 54 ILE B C 1 ATOM 3217 O O . ILE B 1 59 ? 240.697 44.045 6.729 1.00 99.28 ? 54 ILE B O 1 ATOM 3218 C CB . ILE B 1 59 ? 240.106 46.435 5.181 1.00 89.80 ? 54 ILE B CB 1 ATOM 3219 C CG1 . ILE B 1 59 ? 239.864 47.251 3.911 1.00 88.90 ? 54 ILE B CG1 1 ATOM 3220 C CG2 . ILE B 1 59 ? 240.181 47.339 6.402 1.00 83.26 ? 54 ILE B CG2 1 ATOM 3221 C CD1 . ILE B 1 59 ? 238.532 47.964 3.894 1.00 91.09 ? 54 ILE B CD1 1 ATOM 3222 N N . CYS B 1 60 ? 242.771 44.900 6.904 1.00 111.53 ? 55 CYS B N 1 ATOM 3223 C CA . CYS B 1 60 ? 243.125 44.109 8.075 1.00 113.90 ? 55 CYS B CA 1 ATOM 3224 C C . CYS B 1 60 ? 242.486 44.635 9.359 1.00 108.72 ? 55 CYS B C 1 ATOM 3225 O O . CYS B 1 60 ? 242.166 43.857 10.258 1.00 114.10 ? 55 CYS B O 1 ATOM 3226 C CB . CYS B 1 60 ? 244.647 44.063 8.234 1.00 115.57 ? 55 CYS B CB 1 ATOM 3227 S SG . CYS B 1 60 ? 245.233 44.525 9.878 1.00 138.43 ? 55 CYS B SG 1 ATOM 3228 N N . GLY B 1 61 ? 242.300 45.949 9.449 1.00 100.92 ? 56 GLY B N 1 ATOM 3229 C CA . GLY B 1 61 ? 241.765 46.538 10.663 1.00 99.92 ? 56 GLY B CA 1 ATOM 3230 C C . GLY B 1 61 ? 241.291 47.979 10.569 1.00 99.42 ? 56 GLY B C 1 ATOM 3231 O O . GLY B 1 61 ? 240.961 48.469 9.489 1.00 96.08 ? 56 GLY B O 1 ATOM 3232 N N . ILE B 1 62 ? 241.262 48.657 11.715 1.00 103.72 ? 57 ILE B N 1 ATOM 3233 C CA . ILE B 1 62 ? 240.698 50.003 11.813 1.00 97.94 ? 57 ILE B CA 1 ATOM 3234 C C . ILE B 1 62 ? 241.656 51.005 12.462 1.00 97.09 ? 57 ILE B C 1 ATOM 3235 O O . ILE B 1 62 ? 242.368 50.677 13.414 1.00 100.19 ? 57 ILE B O 1 ATOM 3236 C CB . ILE B 1 62 ? 239.379 50.000 12.634 1.00 91.47 ? 57 ILE B CB 1 ATOM 3237 C CG1 . ILE B 1 62 ? 238.402 48.945 12.112 1.00 99.86 ? 57 ILE B CG1 1 ATOM 3238 C CG2 . ILE B 1 62 ? 238.723 51.376 12.628 1.00 89.45 ? 57 ILE B CG2 1 ATOM 3239 C CD1 . ILE B 1 62 ? 237.694 49.334 10.836 1.00 97.80 ? 57 ILE B CD1 1 ATOM 3240 N N . SER B 1 63 ? 241.673 52.224 11.932 1.00 88.83 ? 58 SER B N 1 ATOM 3241 C CA . SER B 1 63 ? 242.249 53.364 12.630 1.00 83.78 ? 58 SER B CA 1 ATOM 3242 C C . SER B 1 63 ? 241.112 54.321 12.970 1.00 79.07 ? 58 SER B C 1 ATOM 3243 O O . SER B 1 63 ? 240.536 54.948 12.084 1.00 79.41 ? 58 SER B O 1 ATOM 3244 C CB . SER B 1 63 ? 243.315 54.061 11.783 1.00 84.87 ? 58 SER B CB 1 ATOM 3245 O OG . SER B 1 63 ? 243.915 55.131 12.495 1.00 78.38 ? 58 SER B OG 1 ATOM 3246 N N . SER B 1 64 ? 240.779 54.413 14.253 1.00 72.55 ? 59 SER B N 1 ATOM 3247 C CA . SER B 1 64 ? 239.634 55.201 14.696 1.00 80.71 ? 59 SER B CA 1 ATOM 3248 C C . SER B 1 64 ? 239.803 56.696 14.430 1.00 76.53 ? 59 SER B C 1 ATOM 3249 O O . SER B 1 64 ? 240.901 57.236 14.571 1.00 75.18 ? 59 SER B O 1 ATOM 3250 C CB . SER B 1 64 ? 239.386 54.971 16.189 1.00 79.45 ? 59 SER B CB 1 ATOM 3251 O OG . SER B 1 64 ? 239.192 53.596 16.467 1.00 91.29 ? 59 SER B OG 1 ATOM 3252 N N . VAL B 1 65 ? 238.714 57.361 14.049 1.00 75.68 ? 60 VAL B N 1 ATOM 3253 C CA . VAL B 1 65 ? 238.732 58.812 13.886 1.00 71.39 ? 60 VAL B CA 1 ATOM 3254 C C . VAL B 1 65 ? 238.830 59.512 15.231 1.00 72.22 ? 60 VAL B C 1 ATOM 3255 O O . VAL B 1 65 ? 239.634 60.426 15.405 1.00 76.61 ? 60 VAL B O 1 ATOM 3256 C CB . VAL B 1 65 ? 237.479 59.346 13.157 1.00 64.40 ? 60 VAL B CB 1 ATOM 3257 C CG1 . VAL B 1 65 ? 237.805 59.702 11.724 1.00 61.15 ? 60 VAL B CG1 1 ATOM 3258 C CG2 . VAL B 1 65 ? 236.336 58.353 13.232 1.00 81.84 ? 60 VAL B CG2 1 ATOM 3259 N N . SER B 1 66 ? 238.003 59.084 16.179 1.00 75.97 ? 61 SER B N 1 ATOM 3260 C CA . SER B 1 66 ? 237.951 59.718 17.492 1.00 75.60 ? 61 SER B CA 1 ATOM 3261 C C . SER B 1 66 ? 238.077 58.693 18.611 1.00 76.03 ? 61 SER B C 1 ATOM 3262 O O . SER B 1 66 ? 238.128 57.490 18.357 1.00 82.75 ? 61 SER B O 1 ATOM 3263 C CB . SER B 1 66 ? 236.649 60.504 17.653 1.00 77.64 ? 61 SER B CB 1 ATOM 3264 O OG . SER B 1 66 ? 235.529 59.639 17.594 1.00 92.08 ? 61 SER B OG 1 ATOM 3265 N N . ARG B 1 67 ? 238.097 59.204 19.833 1.00 93.01 ? 62 ARG B N 1 ATOM 3266 C CA . ARG B 1 67 ? 238.128 58.391 21.030 1.00 102.26 ? 62 ARG B CA 1 ATOM 3267 C C . ARG B 1 67 ? 236.778 57.854 21.397 1.00 111.94 ? 62 ARG B C 1 ATOM 3268 O O . ARG B 1 67 ? 236.641 56.988 22.256 1.00 120.94 ? 62 ARG B O 1 ATOM 3269 C CB . ARG B 1 67 ? 238.312 59.253 22.268 1.00 93.82 ? 62 ARG B CB 1 ATOM 3270 C CG . ARG B 1 67 ? 239.639 59.973 22.328 1.00 100.16 ? 62 ARG B CG 1 ATOM 3271 C CD . ARG B 1 67 ? 240.463 59.577 23.535 1.00 109.80 ? 62 ARG B CD 1 ATOM 3272 N NE . ARG B 1 67 ? 241.733 60.296 23.557 1.00 116.68 ? 62 ARG B NE 1 ATOM 3273 C CZ . ARG B 1 67 ? 242.873 59.804 24.024 1.00 111.28 ? 62 ARG B CZ 1 ATOM 3274 N NH1 . ARG B 1 67 ? 242.916 58.578 24.515 1.00 109.77 ? 62 ARG B NH1 1 ATOM 3275 N NH2 . ARG B 1 67 ? 243.970 60.546 23.996 1.00 101.50 ? 62 ARG B NH2 1 ATOM 3276 N N . MET B 1 68 ? 235.754 58.336 20.709 1.00 93.01 ? 63 MET B N 1 ATOM 3277 C CA . MET B 1 68 ? 234.460 57.701 20.566 1.00 94.04 ? 63 MET B CA 1 ATOM 3278 C C . MET B 1 68 ? 234.412 56.386 19.821 1.00 97.80 ? 63 MET B C 1 ATOM 3279 O O . MET B 1 68 ? 234.132 55.328 20.368 1.00 102.02 ? 63 MET B O 1 ATOM 3280 C CB . MET B 1 68 ? 233.600 58.571 19.675 1.00 92.74 ? 63 MET B CB 1 ATOM 3281 C CG . MET B 1 68 ? 232.223 58.894 20.210 1.00 105.46 ? 63 MET B CG 1 ATOM 3282 S SD . MET B 1 68 ? 231.059 59.239 18.883 1.00 97.68 ? 63 MET B SD 1 ATOM 3283 C CE . MET B 1 68 ? 229.526 59.137 19.775 1.00 113.27 ? 63 MET B CE 1 ATOM 3284 N N . GLU B 1 69 ? 234.793 56.468 18.572 1.00 87.37 ? 64 GLU B N 1 ATOM 3285 C CA . GLU B 1 69 ? 234.735 55.279 17.722 1.00 93.01 ? 64 GLU B CA 1 ATOM 3286 C C . GLU B 1 69 ? 235.436 54.110 18.400 1.00 100.29 ? 64 GLU B C 1 ATOM 3287 O O . GLU B 1 69 ? 234.912 52.995 18.434 1.00 108.04 ? 64 GLU B O 1 ATOM 3288 C CB . GLU B 1 69 ? 235.360 55.529 16.343 1.00 86.37 ? 64 GLU B CB 1 ATOM 3289 C CG . GLU B 1 69 ? 235.483 54.242 15.525 1.00 89.07 ? 64 GLU B CG 1 ATOM 3290 C CD . GLU B 1 69 ? 235.776 54.464 14.051 1.00 89.48 ? 64 GLU B CD 1 ATOM 3291 O OE1 . GLU B 1 69 ? 236.594 55.344 13.723 1.00 84.94 ? 64 GLU B OE1 1 ATOM 3292 O OE2 . GLU B 1 69 ? 235.190 53.742 13.216 1.00 97.25 ? 64 GLU B OE2 1 ATOM 3293 N N . ASN B 1 70 ? 236.619 54.379 18.943 1.00 98.98 ? 65 ASN B N 1 ATOM 3294 C CA . ASN B 1 70 ? 237.393 53.364 19.645 1.00 102.48 ? 65 ASN B CA 1 ATOM 3295 C C . ASN B 1 70 ? 236.601 52.756 20.795 1.00 109.10 ? 65 ASN B C 1 ATOM 3296 O O . ASN B 1 70 ? 236.474 51.530 20.902 1.00 113.84 ? 65 ASN B O 1 ATOM 3297 C CB . ASN B 1 70 ? 238.699 53.961 20.169 1.00 99.48 ? 65 ASN B CB 1 ATOM 3298 C CG . ASN B 1 70 ? 239.515 52.965 20.962 1.00 103.57 ? 65 ASN B CG 1 ATOM 3299 O OD1 . ASN B 1 70 ? 239.386 52.873 22.184 1.00 105.95 ? 65 ASN B OD1 1 ATOM 3300 N ND2 . ASN B 1 70 ? 240.365 52.212 20.271 1.00 101.66 ? 65 ASN B ND2 1 ATOM 3301 N N . ILE B 1 71 ? 236.065 53.627 21.645 1.00 99.03 ? 66 ILE B N 1 ATOM 3302 C CA . ILE B 1 71 ? 235.242 53.203 22.770 1.00 103.85 ? 66 ILE B CA 1 ATOM 3303 C C . ILE B 1 71 ? 234.068 52.341 22.303 1.00 107.50 ? 66 ILE B C 1 ATOM 3304 O O . ILE B 1 71 ? 233.765 51.310 22.909 1.00 116.09 ? 66 ILE B O 1 ATOM 3305 C CB . ILE B 1 71 ? 234.727 54.420 23.560 1.00 104.82 ? 66 ILE B CB 1 ATOM 3306 C CG1 . ILE B 1 71 ? 235.852 54.988 24.428 1.00 105.16 ? 66 ILE B CG1 1 ATOM 3307 C CG2 . ILE B 1 71 ? 233.532 54.045 24.421 1.00 114.34 ? 66 ILE B CG2 1 ATOM 3308 C CD1 . ILE B 1 71 ? 235.537 56.330 25.040 1.00 112.61 ? 66 ILE B CD1 1 ATOM 3309 N N . MET B 1 72 ? 233.430 52.757 21.212 1.00 100.87 ? 67 MET B N 1 ATOM 3310 C CA . MET B 1 72 ? 232.337 51.992 20.617 1.00 102.04 ? 67 MET B CA 1 ATOM 3311 C C . MET B 1 72 ? 232.778 50.581 20.240 1.00 105.96 ? 67 MET B C 1 ATOM 3312 O O . MET B 1 72 ? 232.142 49.598 20.637 1.00 110.73 ? 67 MET B O 1 ATOM 3313 C CB . MET B 1 72 ? 231.789 52.703 19.380 1.00 101.33 ? 67 MET B CB 1 ATOM 3314 C CG . MET B 1 72 ? 230.828 51.850 18.570 1.00 103.30 ? 67 MET B CG 1 ATOM 3315 S SD . MET B 1 72 ? 230.321 52.627 17.027 1.00 105.52 ? 67 MET B SD 1 ATOM 3316 C CE . MET B 1 72 ? 231.871 52.625 16.126 1.00 104.48 ? 67 MET B CE 1 ATOM 3317 N N . TRP B 1 73 ? 233.863 50.492 19.471 1.00 116.62 ? 68 TRP B N 1 ATOM 3318 C CA . TRP B 1 73 ? 234.431 49.203 19.074 1.00 119.29 ? 68 TRP B CA 1 ATOM 3319 C C . TRP B 1 73 ? 234.703 48.325 20.287 1.00 122.32 ? 68 TRP B C 1 ATOM 3320 O O . TRP B 1 73 ? 234.479 47.112 20.256 1.00 128.07 ? 68 TRP B O 1 ATOM 3321 C CB . TRP B 1 73 ? 235.727 49.397 18.281 1.00 107.49 ? 68 TRP B CB 1 ATOM 3322 C CG . TRP B 1 73 ? 235.518 49.765 16.848 1.00 105.28 ? 68 TRP B CG 1 ATOM 3323 C CD1 . TRP B 1 73 ? 235.691 50.994 16.285 1.00 104.39 ? 68 TRP B CD1 1 ATOM 3324 C CD2 . TRP B 1 73 ? 235.099 48.895 15.790 1.00 107.96 ? 68 TRP B CD2 1 ATOM 3325 N NE1 . TRP B 1 73 ? 235.405 50.946 14.941 1.00 106.66 ? 68 TRP B NE1 1 ATOM 3326 C CE2 . TRP B 1 73 ? 235.038 49.668 14.612 1.00 109.15 ? 68 TRP B CE2 1 ATOM 3327 C CE3 . TRP B 1 73 ? 234.767 47.538 15.724 1.00 110.63 ? 68 TRP B CE3 1 ATOM 3328 C CZ2 . TRP B 1 73 ? 234.660 49.129 13.384 1.00 109.89 ? 68 TRP B CZ2 1 ATOM 3329 C CZ3 . TRP B 1 73 ? 234.392 47.005 14.503 1.00 110.76 ? 68 TRP B CZ3 1 ATOM 3330 C CH2 . TRP B 1 73 ? 234.342 47.799 13.350 1.00 113.67 ? 68 TRP B CH2 1 ATOM 3331 N N . ARG B 1 74 ? 235.184 48.952 21.357 1.00 123.70 ? 69 ARG B N 1 ATOM 3332 C CA . ARG B 1 74 ? 235.457 48.242 22.598 1.00 130.88 ? 69 ARG B CA 1 ATOM 3333 C C . ARG B 1 74 ? 234.172 47.689 23.219 1.00 138.37 ? 69 ARG B C 1 ATOM 3334 O O . ARG B 1 74 ? 234.140 46.549 23.688 1.00 140.17 ? 69 ARG B O 1 ATOM 3335 C CB . ARG B 1 74 ? 236.180 49.161 23.587 1.00 125.73 ? 69 ARG B CB 1 ATOM 3336 C CG . ARG B 1 74 ? 236.344 48.574 24.980 1.00 132.01 ? 69 ARG B CG 1 ATOM 3337 C CD . ARG B 1 74 ? 237.491 49.233 25.740 1.00 131.45 ? 69 ARG B CD 1 ATOM 3338 N NE . ARG B 1 74 ? 238.795 48.737 25.304 1.00 136.63 ? 69 ARG B NE 1 ATOM 3339 C CZ . ARG B 1 74 ? 239.778 49.506 24.845 1.00 130.27 ? 69 ARG B CZ 1 ATOM 3340 N NH1 . ARG B 1 74 ? 239.613 50.819 24.762 1.00 124.98 ? 69 ARG B NH1 1 ATOM 3341 N NH2 . ARG B 1 74 ? 240.930 48.961 24.473 1.00 121.90 ? 69 ARG B NH2 1 ATOM 3342 N N . SER B 1 75 ? 233.112 48.493 23.201 1.00 120.52 ? 70 SER B N 1 ATOM 3343 C CA . SER B 1 75 ? 231.838 48.095 23.798 1.00 117.57 ? 70 SER B CA 1 ATOM 3344 C C . SER B 1 75 ? 231.028 47.154 22.903 1.00 119.94 ? 70 SER B C 1 ATOM 3345 O O . SER B 1 75 ? 229.992 46.633 23.319 1.00 124.57 ? 70 SER B O 1 ATOM 3346 C CB . SER B 1 75 ? 231.005 49.334 24.132 1.00 112.69 ? 70 SER B CB 1 ATOM 3347 O OG . SER B 1 75 ? 230.811 50.144 22.984 1.00 116.84 ? 70 SER B OG 1 ATOM 3348 N N . VAL B 1 76 ? 231.503 46.940 21.679 1.00 121.55 ? 71 VAL B N 1 ATOM 3349 C CA . VAL B 1 76 ? 230.807 46.098 20.704 1.00 124.68 ? 71 VAL B CA 1 ATOM 3350 C C . VAL B 1 76 ? 231.533 44.756 20.525 1.00 132.04 ? 71 VAL B C 1 ATOM 3351 O O . VAL B 1 76 ? 230.931 43.737 20.139 1.00 144.29 ? 71 VAL B O 1 ATOM 3352 C CB . VAL B 1 76 ? 230.679 46.844 19.343 1.00 128.88 ? 71 VAL B CB 1 ATOM 3353 C CG1 . VAL B 1 76 ? 230.379 45.894 18.189 1.00 137.49 ? 71 VAL B CG1 1 ATOM 3354 C CG2 . VAL B 1 76 ? 229.619 47.937 19.433 1.00 124.33 ? 71 VAL B CG2 1 ATOM 3355 N N . GLU B 1 77 ? 232.825 44.776 20.850 1.00 130.80 ? 72 GLU B N 1 ATOM 3356 C CA . GLU B 1 77 ? 233.748 43.650 20.675 1.00 137.33 ? 72 GLU B CA 1 ATOM 3357 C C . GLU B 1 77 ? 233.148 42.260 20.908 1.00 141.02 ? 72 GLU B C 1 ATOM 3358 O O . GLU B 1 77 ? 233.171 41.409 20.011 1.00 142.05 ? 72 GLU B O 1 ATOM 3359 C CB . GLU B 1 77 ? 234.947 43.837 21.609 1.00 133.61 ? 72 GLU B CB 1 ATOM 3360 C CG . GLU B 1 77 ? 236.296 43.598 20.952 1.00 126.88 ? 72 GLU B CG 1 ATOM 3361 C CD . GLU B 1 77 ? 237.452 43.818 21.909 1.00 125.63 ? 72 GLU B CD 1 ATOM 3362 O OE1 . GLU B 1 77 ? 238.601 43.488 21.544 1.00 123.13 ? 72 GLU B OE1 1 ATOM 3363 O OE2 . GLU B 1 77 ? 237.212 44.322 23.028 1.00 121.35 ? 72 GLU B OE2 1 ATOM 3364 N N . GLY B 1 78 ? 232.612 42.041 22.107 1.00 128.30 ? 73 GLY B N 1 ATOM 3365 C CA . GLY B 1 78 ? 232.065 40.749 22.486 1.00 139.96 ? 73 GLY B CA 1 ATOM 3366 C C . GLY B 1 78 ? 230.997 40.226 21.544 1.00 142.62 ? 73 GLY B C 1 ATOM 3367 O O . GLY B 1 78 ? 231.149 39.156 20.945 1.00 143.03 ? 73 GLY B O 1 ATOM 3368 N N . GLU B 1 79 ? 229.916 40.988 21.409 1.00 131.04 ? 74 GLU B N 1 ATOM 3369 C CA . GLU B 1 79 ? 228.807 40.600 20.547 1.00 135.10 ? 74 GLU B CA 1 ATOM 3370 C C . GLU B 1 79 ? 229.258 40.419 19.104 1.00 132.87 ? 74 GLU B C 1 ATOM 3371 O O . GLU B 1 79 ? 228.811 39.494 18.418 1.00 138.03 ? 74 GLU B O 1 ATOM 3372 C CB . GLU B 1 79 ? 227.685 41.635 20.623 1.00 134.52 ? 74 GLU B CB 1 ATOM 3373 C CG . GLU B 1 79 ? 227.026 41.714 21.987 1.00 144.29 ? 74 GLU B CG 1 ATOM 3374 C CD . GLU B 1 79 ? 226.070 42.880 22.105 1.00 149.75 ? 74 GLU B CD 1 ATOM 3375 O OE1 . GLU B 1 79 ? 226.432 43.871 22.774 1.00 142.87 ? 74 GLU B OE1 1 ATOM 3376 O OE2 . GLU B 1 79 ? 224.960 42.807 21.532 1.00 153.42 ? 74 GLU B OE2 1 ATOM 3377 N N . LEU B 1 80 ? 230.150 41.295 18.649 1.00 164.54 ? 75 LEU B N 1 ATOM 3378 C CA . LEU B 1 80 ? 230.649 41.205 17.279 1.00 167.90 ? 75 LEU B CA 1 ATOM 3379 C C . LEU B 1 80 ? 231.379 39.880 17.037 1.00 169.34 ? 75 LEU B C 1 ATOM 3380 O O . LEU B 1 80 ? 231.102 39.172 16.059 1.00 170.58 ? 75 LEU B O 1 ATOM 3381 C CB . LEU B 1 80 ? 231.571 42.383 16.963 1.00 163.26 ? 75 LEU B CB 1 ATOM 3382 C CG . LEU B 1 80 ? 231.206 43.189 15.713 1.00 162.88 ? 75 LEU B CG 1 ATOM 3383 C CD1 . LEU B 1 80 ? 232.260 44.251 15.432 1.00 158.46 ? 75 LEU B CD1 1 ATOM 3384 C CD2 . LEU B 1 80 ? 231.018 42.276 14.505 1.00 159.51 ? 75 LEU B CD2 1 ATOM 3385 N N . ASN B 1 81 ? 232.304 39.546 17.933 1.00 164.08 ? 76 ASN B N 1 ATOM 3386 C CA . ASN B 1 81 ? 233.050 38.296 17.823 1.00 170.77 ? 76 ASN B CA 1 ATOM 3387 C C . ASN B 1 81 ? 232.140 37.076 17.936 1.00 172.87 ? 76 ASN B C 1 ATOM 3388 O O . ASN B 1 81 ? 232.332 36.080 17.233 1.00 172.84 ? 76 ASN B O 1 ATOM 3389 C CB . ASN B 1 81 ? 234.148 38.227 18.888 1.00 169.74 ? 76 ASN B CB 1 ATOM 3390 C CG . ASN B 1 81 ? 235.326 39.133 18.574 1.00 162.07 ? 76 ASN B CG 1 ATOM 3391 O OD1 . ASN B 1 81 ? 235.645 39.375 17.408 1.00 155.68 ? 76 ASN B OD1 1 ATOM 3392 N ND2 . ASN B 1 81 ? 235.982 39.633 19.615 1.00 154.40 ? 76 ASN B ND2 1 ATOM 3393 N N . ALA B 1 82 ? 231.148 37.161 18.818 1.00 145.82 ? 77 ALA B N 1 ATOM 3394 C CA . ALA B 1 82 ? 230.189 36.075 18.999 1.00 145.19 ? 77 ALA B CA 1 ATOM 3395 C C . ALA B 1 82 ? 229.411 35.814 17.712 1.00 143.88 ? 77 ALA B C 1 ATOM 3396 O O . ALA B 1 82 ? 229.256 34.666 17.285 1.00 149.04 ? 77 ALA B O 1 ATOM 3397 C CB . ALA B 1 82 ? 229.236 36.391 20.141 1.00 143.22 ? 77 ALA B CB 1 ATOM 3398 N N . ILE B 1 83 ? 228.930 36.888 17.093 1.00 122.23 ? 78 ILE B N 1 ATOM 3399 C CA . ILE B 1 83 ? 228.175 36.775 15.850 1.00 123.26 ? 78 ILE B CA 1 ATOM 3400 C C . ILE B 1 83 ? 229.050 36.243 14.717 1.00 126.79 ? 78 ILE B C 1 ATOM 3401 O O . ILE B 1 83 ? 228.608 35.407 13.926 1.00 129.95 ? 78 ILE B O 1 ATOM 3402 C CB . ILE B 1 83 ? 227.565 38.126 15.453 1.00 118.13 ? 78 ILE B CB 1 ATOM 3403 C CG1 . ILE B 1 83 ? 226.435 38.474 16.417 1.00 118.09 ? 78 ILE B CG1 1 ATOM 3404 C CG2 . ILE B 1 83 ? 227.037 38.088 14.026 1.00 122.11 ? 78 ILE B CG2 1 ATOM 3405 C CD1 . ILE B 1 83 ? 225.945 39.875 16.289 1.00 118.97 ? 78 ILE B CD1 1 ATOM 3406 N N . LEU B 1 84 ? 230.291 36.721 14.649 1.00 211.92 ? 79 LEU B N 1 ATOM 3407 C CA . LEU B 1 84 ? 231.253 36.196 13.681 1.00 215.65 ? 79 LEU B CA 1 ATOM 3408 C C . LEU B 1 84 ? 231.457 34.694 13.870 1.00 214.12 ? 79 LEU B C 1 ATOM 3409 O O . LEU B 1 84 ? 231.603 33.944 12.902 1.00 208.08 ? 79 LEU B O 1 ATOM 3410 C CB . LEU B 1 84 ? 232.592 36.928 13.803 1.00 211.39 ? 79 LEU B CB 1 ATOM 3411 C CG . LEU B 1 84 ? 232.921 37.996 12.756 1.00 202.66 ? 79 LEU B CG 1 ATOM 3412 C CD1 . LEU B 1 84 ? 231.692 38.383 11.947 1.00 203.11 ? 79 LEU B CD1 1 ATOM 3413 C CD2 . LEU B 1 84 ? 233.525 39.220 13.430 1.00 196.15 ? 79 LEU B CD2 1 ATOM 3414 N N . GLU B 1 85 ? 231.460 34.267 15.129 1.00 160.60 ? 80 GLU B N 1 ATOM 3415 C CA . GLU B 1 85 ? 231.592 32.857 15.473 1.00 164.45 ? 80 GLU B CA 1 ATOM 3416 C C . GLU B 1 85 ? 230.383 32.047 15.005 1.00 162.71 ? 80 GLU B C 1 ATOM 3417 O O . GLU B 1 85 ? 230.536 30.954 14.456 1.00 157.71 ? 80 GLU B O 1 ATOM 3418 C CB . GLU B 1 85 ? 231.779 32.701 16.984 1.00 162.35 ? 80 GLU B CB 1 ATOM 3419 C CG . GLU B 1 85 ? 231.891 31.264 17.462 1.00 164.57 ? 80 GLU B CG 1 ATOM 3420 C CD . GLU B 1 85 ? 231.850 31.157 18.973 1.00 168.12 ? 80 GLU B CD 1 ATOM 3421 O OE1 . GLU B 1 85 ? 230.820 31.539 19.569 1.00 165.49 ? 80 GLU B OE1 1 ATOM 3422 O OE2 . GLU B 1 85 ? 232.849 30.696 19.565 1.00 174.49 ? 80 GLU B OE2 1 ATOM 3423 N N . GLU B 1 86 ? 229.189 32.591 15.228 1.00 179.03 ? 81 GLU B N 1 ATOM 3424 C CA . GLU B 1 86 ? 227.948 31.906 14.871 1.00 176.80 ? 81 GLU B CA 1 ATOM 3425 C C . GLU B 1 86 ? 227.887 31.510 13.399 1.00 177.70 ? 81 GLU B C 1 ATOM 3426 O O . GLU B 1 86 ? 227.463 30.406 13.062 1.00 184.31 ? 81 GLU B O 1 ATOM 3427 C CB . GLU B 1 86 ? 226.735 32.781 15.206 1.00 178.54 ? 81 GLU B CB 1 ATOM 3428 C CG . GLU B 1 86 ? 226.407 32.886 16.680 1.00 185.93 ? 81 GLU B CG 1 ATOM 3429 C CD . GLU B 1 86 ? 225.055 33.534 16.920 1.00 189.08 ? 81 GLU B CD 1 ATOM 3430 O OE1 . GLU B 1 86 ? 224.349 33.823 15.929 1.00 189.53 ? 81 GLU B OE1 1 ATOM 3431 O OE2 . GLU B 1 86 ? 224.697 33.753 18.097 1.00 184.72 ? 81 GLU B OE2 1 ATOM 3432 N N . ASN B 1 87 ? 228.317 32.411 12.524 1.00 145.22 ? 82 ASN B N 1 ATOM 3433 C CA . ASN B 1 87 ? 228.143 32.202 11.094 1.00 147.06 ? 82 ASN B CA 1 ATOM 3434 C C . ASN B 1 87 ? 229.398 31.682 10.396 1.00 147.98 ? 82 ASN B C 1 ATOM 3435 O O . ASN B 1 87 ? 229.628 31.968 9.220 1.00 145.93 ? 82 ASN B O 1 ATOM 3436 C CB . ASN B 1 87 ? 227.675 33.501 10.438 1.00 144.61 ? 82 ASN B CB 1 ATOM 3437 C CG . ASN B 1 87 ? 226.552 34.168 11.210 1.00 149.70 ? 82 ASN B CG 1 ATOM 3438 O OD1 . ASN B 1 87 ? 226.536 34.161 12.441 1.00 148.24 ? 82 ASN B OD1 1 ATOM 3439 N ND2 . ASN B 1 87 ? 225.601 34.744 10.488 1.00 150.25 ? 82 ASN B ND2 1 ATOM 3440 N N . GLY B 1 88 ? 230.200 30.919 11.133 1.00 144.34 ? 83 GLY B N 1 ATOM 3441 C CA . GLY B 1 88 ? 231.352 30.234 10.577 1.00 145.45 ? 83 GLY B CA 1 ATOM 3442 C C . GLY B 1 88 ? 232.421 31.148 10.010 1.00 151.23 ? 83 GLY B C 1 ATOM 3443 O O . GLY B 1 88 ? 232.838 30.993 8.861 1.00 146.09 ? 83 GLY B O 1 ATOM 3444 N N . VAL B 1 89 ? 232.860 32.111 10.815 1.00 199.86 ? 84 VAL B N 1 ATOM 3445 C CA . VAL B 1 89 ? 233.932 33.012 10.410 1.00 199.08 ? 84 VAL B CA 1 ATOM 3446 C C . VAL B 1 89 ? 235.028 33.057 11.471 1.00 198.65 ? 84 VAL B C 1 ATOM 3447 O O . VAL B 1 89 ? 234.866 33.685 12.519 1.00 193.14 ? 84 VAL B O 1 ATOM 3448 C CB . VAL B 1 89 ? 233.416 34.445 10.158 1.00 196.93 ? 84 VAL B CB 1 ATOM 3449 C CG1 . VAL B 1 89 ? 234.546 35.332 9.651 1.00 194.52 ? 84 VAL B CG1 1 ATOM 3450 C CG2 . VAL B 1 89 ? 232.264 34.434 9.167 1.00 193.42 ? 84 VAL B CG2 1 ATOM 3451 N N . GLN B 1 90 ? 236.140 32.380 11.199 1.00 175.30 ? 85 GLN B N 1 ATOM 3452 C CA . GLN B 1 90 ? 237.294 32.425 12.091 1.00 175.39 ? 85 GLN B CA 1 ATOM 3453 C C . GLN B 1 90 ? 237.938 33.807 12.053 1.00 175.21 ? 85 GLN B C 1 ATOM 3454 O O . GLN B 1 90 ? 238.897 34.037 11.314 1.00 176.49 ? 85 GLN B O 1 ATOM 3455 C CB . GLN B 1 90 ? 238.320 31.352 11.714 1.00 180.83 ? 85 GLN B CB 1 ATOM 3456 C CG . GLN B 1 90 ? 237.947 29.939 12.142 1.00 186.00 ? 85 GLN B CG 1 ATOM 3457 C CD . GLN B 1 90 ? 239.115 28.973 12.040 1.00 192.81 ? 85 GLN B CD 1 ATOM 3458 O OE1 . GLN B 1 90 ? 240.239 29.369 11.729 1.00 192.50 ? 85 GLN B OE1 1 ATOM 3459 N NE2 . GLN B 1 90 ? 238.853 27.698 12.305 1.00 194.51 ? 85 GLN B NE2 1 ATOM 3460 N N . LEU B 1 91 ? 237.406 34.725 12.853 1.00 155.20 ? 86 LEU B N 1 ATOM 3461 C CA . LEU B 1 91 ? 237.902 36.096 12.880 1.00 146.73 ? 86 LEU B CA 1 ATOM 3462 C C . LEU B 1 91 ? 237.568 36.775 14.202 1.00 143.11 ? 86 LEU B C 1 ATOM 3463 O O . LEU B 1 91 ? 236.411 36.796 14.625 1.00 145.93 ? 86 LEU B O 1 ATOM 3464 C CB . LEU B 1 91 ? 237.322 36.896 11.711 1.00 145.85 ? 86 LEU B CB 1 ATOM 3465 C CG . LEU B 1 91 ? 237.752 38.359 11.593 1.00 139.69 ? 86 LEU B CG 1 ATOM 3466 C CD1 . LEU B 1 91 ? 239.266 38.483 11.677 1.00 138.66 ? 86 LEU B CD1 1 ATOM 3467 C CD2 . LEU B 1 91 ? 237.236 38.958 10.293 1.00 133.62 ? 86 LEU B CD2 1 ATOM 3468 N N . THR B 1 92 ? 238.586 37.333 14.849 1.00 164.90 ? 87 THR B N 1 ATOM 3469 C CA . THR B 1 92 ? 238.406 37.959 16.153 1.00 167.15 ? 87 THR B CA 1 ATOM 3470 C C . THR B 1 92 ? 238.781 39.438 16.132 1.00 160.80 ? 87 THR B C 1 ATOM 3471 O O . THR B 1 92 ? 239.909 39.796 15.797 1.00 159.67 ? 87 THR B O 1 ATOM 3472 C CB . THR B 1 92 ? 239.243 37.248 17.235 1.00 169.88 ? 87 THR B CB 1 ATOM 3473 O OG1 . THR B 1 92 ? 238.852 35.871 17.319 1.00 174.56 ? 87 THR B OG1 1 ATOM 3474 C CG2 . THR B 1 92 ? 239.042 37.914 18.590 1.00 162.44 ? 87 THR B CG2 1 ATOM 3475 N N . VAL B 1 93 ? 237.829 40.293 16.496 1.00 152.40 ? 88 VAL B N 1 ATOM 3476 C CA . VAL B 1 93 ? 238.073 41.730 16.562 1.00 148.66 ? 88 VAL B CA 1 ATOM 3477 C C . VAL B 1 93 ? 238.776 42.104 17.866 1.00 147.64 ? 88 VAL B C 1 ATOM 3478 O O . VAL B 1 93 ? 238.240 41.891 18.955 1.00 144.82 ? 88 VAL B O 1 ATOM 3479 C CB . VAL B 1 93 ? 236.762 42.534 16.441 1.00 148.96 ? 88 VAL B CB 1 ATOM 3480 C CG1 . VAL B 1 93 ? 237.027 44.020 16.645 1.00 140.61 ? 88 VAL B CG1 1 ATOM 3481 C CG2 . VAL B 1 93 ? 236.106 42.284 15.089 1.00 145.30 ? 88 VAL B CG2 1 ATOM 3482 N N . VAL B 1 94 ? 239.978 42.661 17.748 1.00 124.97 ? 89 VAL B N 1 ATOM 3483 C CA . VAL B 1 94 ? 240.770 43.035 18.914 1.00 118.85 ? 89 VAL B CA 1 ATOM 3484 C C . VAL B 1 94 ? 240.882 44.552 19.040 1.00 113.62 ? 89 VAL B C 1 ATOM 3485 O O . VAL B 1 94 ? 241.412 45.215 18.151 1.00 112.92 ? 89 VAL B O 1 ATOM 3486 C CB . VAL B 1 94 ? 242.186 42.431 18.849 1.00 120.12 ? 89 VAL B CB 1 ATOM 3487 C CG1 . VAL B 1 94 ? 242.915 42.647 20.166 1.00 116.54 ? 89 VAL B CG1 1 ATOM 3488 C CG2 . VAL B 1 94 ? 242.116 40.949 18.509 1.00 124.89 ? 89 VAL B CG2 1 ATOM 3489 N N . VAL B 1 95 ? 240.389 45.095 20.150 1.00 107.28 ? 90 VAL B N 1 ATOM 3490 C CA . VAL B 1 95 ? 240.367 46.543 20.357 1.00 102.05 ? 90 VAL B CA 1 ATOM 3491 C C . VAL B 1 95 ? 241.429 46.999 21.359 1.00 100.14 ? 90 VAL B C 1 ATOM 3492 O O . VAL B 1 95 ? 241.368 46.663 22.543 1.00 96.78 ? 90 VAL B O 1 ATOM 3493 C CB . VAL B 1 95 ? 238.981 47.015 20.845 1.00 99.53 ? 90 VAL B CB 1 ATOM 3494 C CG1 . VAL B 1 95 ? 239.024 48.482 21.243 1.00 99.38 ? 90 VAL B CG1 1 ATOM 3495 C CG2 . VAL B 1 95 ? 237.932 46.780 19.769 1.00 99.59 ? 90 VAL B CG2 1 ATOM 3496 N N . GLY B 1 96 ? 242.396 47.775 20.878 1.00 113.04 ? 91 GLY B N 1 ATOM 3497 C CA . GLY B 1 96 ? 243.477 48.258 21.720 1.00 111.40 ? 91 GLY B CA 1 ATOM 3498 C C . GLY B 1 96 ? 243.321 49.710 22.137 1.00 111.34 ? 91 GLY B C 1 ATOM 3499 O O . GLY B 1 96 ? 242.276 50.324 21.913 1.00 109.65 ? 91 GLY B O 1 ATOM 3500 N N . SER B 1 97 ? 244.365 50.260 22.750 1.00 121.87 ? 92 SER B N 1 ATOM 3501 C CA . SER B 1 97 ? 244.342 51.645 23.210 1.00 118.41 ? 92 SER B CA 1 ATOM 3502 C C . SER B 1 97 ? 244.365 52.628 22.047 1.00 114.14 ? 92 SER B C 1 ATOM 3503 O O . SER B 1 97 ? 244.733 52.276 20.926 1.00 112.99 ? 92 SER B O 1 ATOM 3504 C CB . SER B 1 97 ? 245.526 51.923 24.140 1.00 114.37 ? 92 SER B CB 1 ATOM 3505 O OG . SER B 1 97 ? 245.377 51.249 25.377 1.00 127.63 ? 92 SER B OG 1 ATOM 3506 N N . VAL B 1 98 ? 243.972 53.866 22.323 1.00 105.29 ? 93 VAL B N 1 ATOM 3507 C CA . VAL B 1 98 ? 244.017 54.921 21.319 1.00 103.65 ? 93 VAL B CA 1 ATOM 3508 C C . VAL B 1 98 ? 245.432 55.476 21.190 1.00 98.18 ? 93 VAL B C 1 ATOM 3509 O O . VAL B 1 98 ? 246.079 55.790 22.190 1.00 99.46 ? 93 VAL B O 1 ATOM 3510 C CB . VAL B 1 98 ? 243.052 56.069 21.659 1.00 96.20 ? 93 VAL B CB 1 ATOM 3511 C CG1 . VAL B 1 98 ? 243.132 57.151 20.600 1.00 94.26 ? 93 VAL B CG1 1 ATOM 3512 C CG2 . VAL B 1 98 ? 241.630 55.547 21.790 1.00 101.53 ? 93 VAL B CG2 1 ATOM 3513 N N . LYS B 1 99 ? 245.908 55.594 19.955 1.00 96.76 ? 94 LYS B N 1 ATOM 3514 C CA . LYS B 1 99 ? 247.247 56.109 19.699 1.00 95.28 ? 94 LYS B CA 1 ATOM 3515 C C . LYS B 1 99 ? 247.193 57.461 18.991 1.00 86.97 ? 94 LYS B C 1 ATOM 3516 O O . LYS B 1 99 ? 246.548 57.603 17.951 1.00 85.20 ? 94 LYS B O 1 ATOM 3517 C CB . LYS B 1 99 ? 248.050 55.103 18.874 1.00 94.30 ? 94 LYS B CB 1 ATOM 3518 C CG . LYS B 1 99 ? 248.350 53.808 19.617 1.00 101.05 ? 94 LYS B CG 1 ATOM 3519 C CD . LYS B 1 99 ? 249.382 54.033 20.716 1.00 105.17 ? 94 LYS B CD 1 ATOM 3520 C CE . LYS B 1 99 ? 249.604 52.780 21.553 1.00 111.47 ? 94 LYS B CE 1 ATOM 3521 N NZ . LYS B 1 99 ? 248.701 52.720 22.738 1.00 110.45 ? 94 LYS B NZ 1 ATOM 3522 N N . ASN B 1 100 ? 247.872 58.451 19.564 1.00 78.55 ? 95 ASN B N 1 ATOM 3523 C CA . ASN B 1 100 ? 247.862 59.806 19.020 1.00 73.47 ? 95 ASN B CA 1 ATOM 3524 C C . ASN B 1 100 ? 249.118 60.134 18.220 1.00 72.94 ? 95 ASN B C 1 ATOM 3525 O O . ASN B 1 100 ? 250.226 59.789 18.631 1.00 79.13 ? 95 ASN B O 1 ATOM 3526 C CB . ASN B 1 100 ? 247.692 60.828 20.143 1.00 76.60 ? 95 ASN B CB 1 ATOM 3527 C CG . ASN B 1 100 ? 246.354 60.707 20.842 1.00 79.32 ? 95 ASN B CG 1 ATOM 3528 O OD1 . ASN B 1 100 ? 245.338 61.197 20.350 1.00 74.10 ? 95 ASN B OD1 1 ATOM 3529 N ND2 . ASN B 1 100 ? 246.347 60.053 21.998 1.00 87.79 ? 95 ASN B ND2 1 ATOM 3530 N N . PRO B 1 101 ? 248.951 60.810 17.072 1.00 74.70 ? 96 PRO B N 1 ATOM 3531 C CA . PRO B 1 101 ? 247.663 61.228 16.506 1.00 68.30 ? 96 PRO B CA 1 ATOM 3532 C C . PRO B 1 101 ? 246.898 60.065 15.884 1.00 71.81 ? 96 PRO B C 1 ATOM 3533 O O . PRO B 1 101 ? 247.507 59.073 15.482 1.00 76.54 ? 96 PRO B O 1 ATOM 3534 C CB . PRO B 1 101 ? 248.061 62.247 15.428 1.00 67.87 ? 96 PRO B CB 1 ATOM 3535 C CG . PRO B 1 101 ? 249.500 62.589 15.708 1.00 64.81 ? 96 PRO B CG 1 ATOM 3536 C CD . PRO B 1 101 ? 250.081 61.353 16.304 1.00 76.09 ? 96 PRO B CD 1 ATOM 3537 N N . MET B 1 102 ? 245.577 60.187 15.816 1.00 77.41 ? 97 MET B N 1 ATOM 3538 C CA . MET B 1 102 ? 244.754 59.149 15.213 1.00 77.72 ? 97 MET B CA 1 ATOM 3539 C C . MET B 1 102 ? 244.894 59.207 13.704 1.00 76.68 ? 97 MET B C 1 ATOM 3540 O O . MET B 1 102 ? 244.206 59.973 13.034 1.00 74.88 ? 97 MET B O 1 ATOM 3541 C CB . MET B 1 102 ? 243.297 59.309 15.627 1.00 81.52 ? 97 MET B CB 1 ATOM 3542 C CG . MET B 1 102 ? 243.124 59.505 17.116 1.00 76.38 ? 97 MET B CG 1 ATOM 3543 S SD . MET B 1 102 ? 241.454 59.140 17.655 1.00 86.19 ? 97 MET B SD 1 ATOM 3544 C CE . MET B 1 102 ? 241.440 59.986 19.228 1.00 87.34 ? 97 MET B CE 1 ATOM 3545 N N . TRP B 1 103 ? 245.794 58.386 13.177 1.00 69.04 ? 98 TRP B N 1 ATOM 3546 C CA . TRP B 1 103 ? 246.218 58.510 11.793 1.00 70.08 ? 98 TRP B CA 1 ATOM 3547 C C . TRP B 1 103 ? 245.133 58.180 10.781 1.00 66.94 ? 98 TRP B C 1 ATOM 3548 O O . TRP B 1 103 ? 244.245 57.368 11.027 1.00 71.62 ? 98 TRP B O 1 ATOM 3549 C CB . TRP B 1 103 ? 247.436 57.627 11.539 1.00 77.75 ? 98 TRP B CB 1 ATOM 3550 C CG . TRP B 1 103 ? 248.645 58.072 12.288 1.00 70.86 ? 98 TRP B CG 1 ATOM 3551 C CD1 . TRP B 1 103 ? 249.316 57.376 13.249 1.00 76.67 ? 98 TRP B CD1 1 ATOM 3552 C CD2 . TRP B 1 103 ? 249.322 59.327 12.152 1.00 73.03 ? 98 TRP B CD2 1 ATOM 3553 N NE1 . TRP B 1 103 ? 250.376 58.116 13.715 1.00 71.89 ? 98 TRP B NE1 1 ATOM 3554 C CE2 . TRP B 1 103 ? 250.402 59.318 13.058 1.00 70.78 ? 98 TRP B CE2 1 ATOM 3555 C CE3 . TRP B 1 103 ? 249.123 60.456 11.351 1.00 67.78 ? 98 TRP B CE3 1 ATOM 3556 C CZ2 . TRP B 1 103 ? 251.279 60.394 13.184 1.00 59.95 ? 98 TRP B CZ2 1 ATOM 3557 C CZ3 . TRP B 1 103 ? 249.995 61.525 11.478 1.00 55.14 ? 98 TRP B CZ3 1 ATOM 3558 C CH2 . TRP B 1 103 ? 251.059 61.486 12.388 1.00 60.82 ? 98 TRP B CH2 1 ATOM 3559 N N . ARG B 1 104 ? 245.242 58.830 9.630 1.00 82.06 ? 99 ARG B N 1 ATOM 3560 C CA . ARG B 1 104 ? 244.285 58.701 8.545 1.00 79.62 ? 99 ARG B CA 1 ATOM 3561 C C . ARG B 1 104 ? 244.505 57.408 7.760 1.00 84.73 ? 99 ARG B C 1 ATOM 3562 O O . ARG B 1 104 ? 245.578 57.191 7.196 1.00 90.07 ? 99 ARG B O 1 ATOM 3563 C CB . ARG B 1 104 ? 244.403 59.916 7.621 1.00 79.41 ? 99 ARG B CB 1 ATOM 3564 C CG . ARG B 1 104 ? 243.115 60.369 6.974 1.00 79.67 ? 99 ARG B CG 1 ATOM 3565 C CD . ARG B 1 104 ? 243.382 61.534 6.024 1.00 78.44 ? 99 ARG B CD 1 ATOM 3566 N NE . ARG B 1 104 ? 243.198 62.840 6.654 1.00 68.25 ? 99 ARG B NE 1 ATOM 3567 C CZ . ARG B 1 104 ? 243.555 63.993 6.096 1.00 81.13 ? 99 ARG B CZ 1 ATOM 3568 N NH1 . ARG B 1 104 ? 244.133 64.000 4.901 1.00 85.94 ? 99 ARG B NH1 1 ATOM 3569 N NH2 . ARG B 1 104 ? 243.344 65.140 6.732 1.00 74.51 ? 99 ARG B NH2 1 ATOM 3570 N N . GLY B 1 105 ? 243.491 56.549 7.731 1.00 78.47 ? 100 GLY B N 1 ATOM 3571 C CA . GLY B 1 105 ? 243.542 55.336 6.934 1.00 74.63 ? 100 GLY B CA 1 ATOM 3572 C C . GLY B 1 105 ? 242.869 55.552 5.592 1.00 75.78 ? 100 GLY B C 1 ATOM 3573 O O . GLY B 1 105 ? 241.878 56.277 5.505 1.00 73.43 ? 100 GLY B O 1 ATOM 3574 N N . PRO B 1 106 ? 243.407 54.929 4.533 1.00 68.06 ? 101 PRO B N 1 ATOM 3575 C CA . PRO B 1 106 ? 242.902 55.110 3.167 1.00 71.75 ? 101 PRO B CA 1 ATOM 3576 C C . PRO B 1 106 ? 241.685 54.247 2.863 1.00 76.63 ? 101 PRO B C 1 ATOM 3577 O O . PRO B 1 106 ? 241.023 54.447 1.845 1.00 77.17 ? 101 PRO B O 1 ATOM 3578 C CB . PRO B 1 106 ? 244.089 54.684 2.307 1.00 56.62 ? 101 PRO B CB 1 ATOM 3579 C CG . PRO B 1 106 ? 244.750 53.635 3.121 1.00 66.14 ? 101 PRO B CG 1 ATOM 3580 C CD . PRO B 1 106 ? 244.590 54.053 4.564 1.00 68.72 ? 101 PRO B CD 1 ATOM 3581 N N . GLN B 1 107 ? 241.406 53.290 3.739 1.00 74.64 ? 102 GLN B N 1 ATOM 3582 C CA . GLN B 1 107 ? 240.285 52.383 3.545 1.00 74.52 ? 102 GLN B CA 1 ATOM 3583 C C . GLN B 1 107 ? 239.067 52.835 4.335 1.00 80.86 ? 102 GLN B C 1 ATOM 3584 O O . GLN B 1 107 ? 239.166 53.683 5.221 1.00 81.37 ? 102 GLN B O 1 ATOM 3585 C CB . GLN B 1 107 ? 240.668 50.962 3.961 1.00 77.39 ? 102 GLN B CB 1 ATOM 3586 C CG . GLN B 1 107 ? 242.025 50.504 3.464 1.00 82.10 ? 102 GLN B CG 1 ATOM 3587 C CD . GLN B 1 107 ? 241.969 49.909 2.074 1.00 76.50 ? 102 GLN B CD 1 ATOM 3588 O OE1 . GLN B 1 107 ? 240.925 49.921 1.423 1.00 82.72 ? 102 GLN B OE1 1 ATOM 3589 N NE2 . GLN B 1 107 ? 243.095 49.375 1.613 1.00 71.55 ? 102 GLN B NE2 1 ATOM 3590 N N . ARG B 1 108 ? 237.918 52.262 3.998 1.00 97.92 ? 103 ARG B N 1 ATOM 3591 C CA . ARG B 1 108 ? 236.705 52.411 4.794 1.00 102.99 ? 103 ARG B CA 1 ATOM 3592 C C . ARG B 1 108 ? 235.905 51.116 4.738 1.00 105.31 ? 103 ARG B C 1 ATOM 3593 O O . ARG B 1 108 ? 235.967 50.385 3.748 1.00 107.08 ? 103 ARG B O 1 ATOM 3594 C CB . ARG B 1 108 ? 235.849 53.584 4.307 1.00 96.67 ? 103 ARG B CB 1 ATOM 3595 C CG . ARG B 1 108 ? 236.296 54.948 4.812 1.00 94.00 ? 103 ARG B CG 1 ATOM 3596 C CD . ARG B 1 108 ? 237.175 55.643 3.800 1.00 89.07 ? 103 ARG B CD 1 ATOM 3597 N NE . ARG B 1 108 ? 238.151 56.546 4.401 1.00 86.55 ? 103 ARG B NE 1 ATOM 3598 C CZ . ARG B 1 108 ? 238.889 57.399 3.700 1.00 96.60 ? 103 ARG B CZ 1 ATOM 3599 N NH1 . ARG B 1 108 ? 238.745 57.468 2.385 1.00 107.19 ? 103 ARG B NH1 1 ATOM 3600 N NH2 . ARG B 1 108 ? 239.766 58.185 4.305 1.00 94.86 ? 103 ARG B NH2 1 ATOM 3601 N N . LEU B 1 109 ? 235.163 50.833 5.805 1.00 80.18 ? 104 LEU B N 1 ATOM 3602 C CA . LEU B 1 109 ? 234.295 49.660 5.847 1.00 85.15 ? 104 LEU B CA 1 ATOM 3603 C C . LEU B 1 109 ? 233.260 49.709 4.727 1.00 92.79 ? 104 LEU B C 1 ATOM 3604 O O . LEU B 1 109 ? 232.569 50.714 4.559 1.00 90.45 ? 104 LEU B O 1 ATOM 3605 C CB . LEU B 1 109 ? 233.589 49.556 7.203 1.00 85.46 ? 104 LEU B CB 1 ATOM 3606 C CG . LEU B 1 109 ? 234.452 49.215 8.421 1.00 86.61 ? 104 LEU B CG 1 ATOM 3607 C CD1 . LEU B 1 109 ? 233.605 49.140 9.686 1.00 89.05 ? 104 LEU B CD1 1 ATOM 3608 C CD2 . LEU B 1 109 ? 235.207 47.909 8.201 1.00 93.17 ? 104 LEU B CD2 1 ATOM 3609 N N . PRO B 1 110 ? 233.150 48.622 3.951 1.00 121.44 ? 105 PRO B N 1 ATOM 3610 C CA . PRO B 1 110 ? 232.168 48.602 2.863 1.00 123.90 ? 105 PRO B CA 1 ATOM 3611 C C . PRO B 1 110 ? 230.766 48.277 3.363 1.00 123.96 ? 105 PRO B C 1 ATOM 3612 O O . PRO B 1 110 ? 230.617 47.455 4.269 1.00 122.05 ? 105 PRO B O 1 ATOM 3613 C CB . PRO B 1 110 ? 232.690 47.492 1.949 1.00 120.11 ? 105 PRO B CB 1 ATOM 3614 C CG . PRO B 1 110 ? 233.357 46.535 2.889 1.00 127.07 ? 105 PRO B CG 1 ATOM 3615 C CD . PRO B 1 110 ? 233.916 47.364 4.031 1.00 121.16 ? 105 PRO B CD 1 ATOM 3616 N N . VAL B 1 111 ? 229.756 48.928 2.794 1.00 145.91 ? 106 VAL B N 1 ATOM 3617 C CA . VAL B 1 111 ? 228.382 48.498 3.006 1.00 153.08 ? 106 VAL B CA 1 ATOM 3618 C C . VAL B 1 111 ? 228.190 47.200 2.226 1.00 160.51 ? 106 VAL B C 1 ATOM 3619 O O . VAL B 1 111 ? 228.425 47.157 1.019 1.00 165.31 ? 106 VAL B O 1 ATOM 3620 C CB . VAL B 1 111 ? 227.352 49.563 2.560 1.00 149.99 ? 106 VAL B CB 1 ATOM 3621 C CG1 . VAL B 1 111 ? 227.748 50.187 1.221 1.00 150.29 ? 106 VAL B CG1 1 ATOM 3622 C CG2 . VAL B 1 111 ? 225.957 48.955 2.494 1.00 156.59 ? 106 VAL B CG2 1 ATOM 3623 N N . PRO B 1 112 ? 227.804 46.119 2.920 1.00 145.26 ? 107 PRO B N 1 ATOM 3624 C CA . PRO B 1 112 ? 227.707 44.826 2.238 1.00 152.16 ? 107 PRO B CA 1 ATOM 3625 C C . PRO B 1 112 ? 226.457 44.852 1.360 1.00 158.92 ? 107 PRO B C 1 ATOM 3626 O O . PRO B 1 112 ? 226.482 44.303 0.257 1.00 162.07 ? 107 PRO B O 1 ATOM 3627 C CB . PRO B 1 112 ? 227.839 43.822 3.385 1.00 149.56 ? 107 PRO B CB 1 ATOM 3628 C CG . PRO B 1 112 ? 227.249 44.534 4.556 1.00 146.00 ? 107 PRO B CG 1 ATOM 3629 C CD . PRO B 1 112 ? 227.572 46.000 4.372 1.00 139.11 ? 107 PRO B CD 1 ATOM 3630 N N . VAL B 1 113 ? 225.395 45.489 1.862 1.00 160.19 ? 108 VAL B N 1 ATOM 3631 C CA . VAL B 1 113 ? 224.004 45.421 1.377 1.00 168.48 ? 108 VAL B CA 1 ATOM 3632 C C . VAL B 1 113 ? 223.581 43.941 1.264 1.00 176.69 ? 108 VAL B C 1 ATOM 3633 O O . VAL B 1 113 ? 222.805 43.548 0.389 1.00 175.25 ? 108 VAL B O 1 ATOM 3634 C CB . VAL B 1 113 ? 223.857 46.105 -0.027 1.00 170.57 ? 108 VAL B CB 1 ATOM 3635 C CG1 . VAL B 1 113 ? 224.322 45.207 -1.178 1.00 169.13 ? 108 VAL B CG1 1 ATOM 3636 C CG2 . VAL B 1 113 ? 222.420 46.589 -0.246 1.00 160.05 ? 108 VAL B CG2 1 ATOM 3637 N N . ASN B 1 114 ? 224.076 43.144 2.207 1.00 200.74 ? 109 ASN B N 1 ATOM 3638 C CA . ASN B 1 114 ? 223.733 41.737 2.355 1.00 198.20 ? 109 ASN B CA 1 ATOM 3639 C C . ASN B 1 114 ? 224.154 41.274 3.743 1.00 192.47 ? 109 ASN B C 1 ATOM 3640 O O . ASN B 1 114 ? 225.137 40.546 3.889 1.00 195.39 ? 109 ASN B O 1 ATOM 3641 C CB . ASN B 1 114 ? 224.418 40.890 1.280 1.00 198.92 ? 109 ASN B CB 1 ATOM 3642 C CG . ASN B 1 114 ? 223.442 40.331 0.262 1.00 204.05 ? 109 ASN B CG 1 ATOM 3643 O OD1 . ASN B 1 114 ? 222.342 40.854 0.083 1.00 207.75 ? 109 ASN B OD1 1 ATOM 3644 N ND2 . ASN B 1 114 ? 223.843 39.259 -0.412 1.00 198.05 ? 109 ASN B ND2 1 ATOM 3645 N N . GLU B 1 115 ? 223.415 41.714 4.757 1.00 141.33 ? 110 GLU B N 1 ATOM 3646 C CA . GLU B 1 115 ? 223.802 41.485 6.146 1.00 141.48 ? 110 GLU B CA 1 ATOM 3647 C C . GLU B 1 115 ? 223.940 40.003 6.473 1.00 145.29 ? 110 GLU B C 1 ATOM 3648 O O . GLU B 1 115 ? 223.243 39.161 5.906 1.00 150.56 ? 110 GLU B O 1 ATOM 3649 C CB . GLU B 1 115 ? 222.794 42.141 7.096 1.00 141.54 ? 110 GLU B CB 1 ATOM 3650 C CG . GLU B 1 115 ? 221.420 41.489 7.131 1.00 140.26 ? 110 GLU B CG 1 ATOM 3651 C CD . GLU B 1 115 ? 220.383 42.354 7.828 1.00 143.80 ? 110 GLU B CD 1 ATOM 3652 O OE1 . GLU B 1 115 ? 219.862 41.935 8.882 1.00 143.58 ? 110 GLU B OE1 1 ATOM 3653 O OE2 . GLU B 1 115 ? 220.087 43.455 7.319 1.00 144.72 ? 110 GLU B OE2 1 ATOM 3654 N N . LEU B 1 116 ? 224.866 39.701 7.377 1.00 152.95 ? 111 LEU B N 1 ATOM 3655 C CA . LEU B 1 116 ? 225.116 38.335 7.819 1.00 154.22 ? 111 LEU B CA 1 ATOM 3656 C C . LEU B 1 116 ? 223.823 37.666 8.274 1.00 157.45 ? 111 LEU B C 1 ATOM 3657 O O . LEU B 1 116 ? 222.972 38.318 8.869 1.00 154.15 ? 111 LEU B O 1 ATOM 3658 C CB . LEU B 1 116 ? 226.146 38.328 8.945 1.00 153.45 ? 111 LEU B CB 1 ATOM 3659 C CG . LEU B 1 116 ? 227.610 38.104 8.562 1.00 150.93 ? 111 LEU B CG 1 ATOM 3660 C CD1 . LEU B 1 116 ? 228.197 36.954 9.413 1.00 159.51 ? 111 LEU B CD1 1 ATOM 3661 C CD2 . LEU B 1 116 ? 227.807 37.909 7.030 1.00 149.02 ? 111 LEU B CD2 1 ATOM 3662 N N . PRO B 1 117 ? 223.670 36.364 7.988 1.00 168.56 ? 112 PRO B N 1 ATOM 3663 C CA . PRO B 1 117 ? 222.372 35.686 8.142 1.00 166.94 ? 112 PRO B CA 1 ATOM 3664 C C . PRO B 1 117 ? 221.790 35.556 9.562 1.00 166.65 ? 112 PRO B C 1 ATOM 3665 O O . PRO B 1 117 ? 220.623 35.903 9.758 1.00 157.19 ? 112 PRO B O 1 ATOM 3666 C CB . PRO B 1 117 ? 222.644 34.285 7.571 1.00 165.08 ? 112 PRO B CB 1 ATOM 3667 C CG . PRO B 1 117 ? 224.129 34.123 7.588 1.00 167.92 ? 112 PRO B CG 1 ATOM 3668 C CD . PRO B 1 117 ? 224.680 35.493 7.359 1.00 169.79 ? 112 PRO B CD 1 ATOM 3669 N N . HIS B 1 118 ? 222.503 34.898 10.471 1.00 190.43 ? 113 HIS B N 1 ATOM 3670 C CA . HIS B 1 118 ? 221.860 34.308 11.645 1.00 188.42 ? 113 HIS B CA 1 ATOM 3671 C C . HIS B 1 118 ? 222.270 34.977 12.923 1.00 186.01 ? 113 HIS B C 1 ATOM 3672 O O . HIS B 1 118 ? 222.314 34.340 13.967 1.00 182.44 ? 113 HIS B O 1 ATOM 3673 C CB . HIS B 1 118 ? 222.354 32.886 11.882 1.00 187.06 ? 113 HIS B CB 1 ATOM 3674 C CG . HIS B 1 118 ? 222.021 31.944 10.777 1.00 186.39 ? 113 HIS B CG 1 ATOM 3675 N ND1 . HIS B 1 118 ? 222.986 31.309 10.029 1.00 185.28 ? 113 HIS B ND1 1 ATOM 3676 C CD2 . HIS B 1 118 ? 220.830 31.528 10.288 1.00 186.66 ? 113 HIS B CD2 1 ATOM 3677 C CE1 . HIS B 1 118 ? 222.405 30.544 9.123 1.00 186.38 ? 113 HIS B CE1 1 ATOM 3678 N NE2 . HIS B 1 118 ? 221.096 30.657 9.261 1.00 187.69 ? 113 HIS B NE2 1 ATOM 3679 N N . GLY B 1 119 ? 222.566 36.261 12.852 1.00 148.71 ? 114 GLY B N 1 ATOM 3680 C CA . GLY B 1 119 ? 222.663 37.091 14.027 1.00 150.69 ? 114 GLY B CA 1 ATOM 3681 C C . GLY B 1 119 ? 221.271 37.495 14.438 1.00 148.84 ? 114 GLY B C 1 ATOM 3682 O O . GLY B 1 119 ? 220.286 37.013 13.904 1.00 146.63 ? 114 GLY B O 1 ATOM 3683 N N . TRP B 1 120 ? 221.168 38.407 15.384 1.00 203.11 ? 115 TRP B N 1 ATOM 3684 C CA . TRP B 1 120 ? 219.842 38.742 15.859 1.00 203.31 ? 115 TRP B CA 1 ATOM 3685 C C . TRP B 1 120 ? 219.562 40.143 15.344 1.00 206.40 ? 115 TRP B C 1 ATOM 3686 O O . TRP B 1 120 ? 219.679 40.390 14.146 1.00 204.88 ? 115 TRP B O 1 ATOM 3687 C CB . TRP B 1 120 ? 219.761 38.671 17.388 1.00 204.22 ? 115 TRP B CB 1 ATOM 3688 C CG . TRP B 1 120 ? 221.074 38.768 18.080 1.00 209.00 ? 115 TRP B CG 1 ATOM 3689 C CD1 . TRP B 1 120 ? 221.486 39.751 18.929 1.00 211.20 ? 115 TRP B CD1 1 ATOM 3690 C CD2 . TRP B 1 120 ? 222.159 37.848 17.971 1.00 207.96 ? 115 TRP B CD2 1 ATOM 3691 N NE1 . TRP B 1 120 ? 222.763 39.493 19.361 1.00 213.16 ? 115 TRP B NE1 1 ATOM 3692 C CE2 . TRP B 1 120 ? 223.196 38.328 18.785 1.00 210.17 ? 115 TRP B CE2 1 ATOM 3693 C CE3 . TRP B 1 120 ? 222.349 36.656 17.272 1.00 204.31 ? 115 TRP B CE3 1 ATOM 3694 C CZ2 . TRP B 1 120 ? 224.407 37.664 18.909 1.00 204.08 ? 115 TRP B CZ2 1 ATOM 3695 C CZ3 . TRP B 1 120 ? 223.545 36.000 17.399 1.00 202.98 ? 115 TRP B CZ3 1 ATOM 3696 C CH2 . TRP B 1 120 ? 224.560 36.503 18.208 1.00 202.90 ? 115 TRP B CH2 1 ATOM 3697 N N . LYS B 1 121 ? 219.214 41.071 16.224 1.00 153.81 ? 116 LYS B N 1 ATOM 3698 C CA . LYS B 1 121 ? 218.940 42.417 15.777 1.00 151.63 ? 116 LYS B CA 1 ATOM 3699 C C . LYS B 1 121 ? 219.630 43.462 16.628 1.00 151.82 ? 116 LYS B C 1 ATOM 3700 O O . LYS B 1 121 ? 220.505 44.173 16.153 1.00 145.00 ? 116 LYS B O 1 ATOM 3701 C CB . LYS B 1 121 ? 217.436 42.679 15.756 1.00 149.23 ? 116 LYS B CB 1 ATOM 3702 C CG . LYS B 1 121 ? 216.589 41.530 15.233 1.00 151.01 ? 116 LYS B CG 1 ATOM 3703 C CD . LYS B 1 121 ? 215.143 41.673 15.698 1.00 157.17 ? 116 LYS B CD 1 ATOM 3704 C CE . LYS B 1 121 ? 214.410 40.338 15.757 1.00 156.99 ? 116 LYS B CE 1 ATOM 3705 N NZ . LYS B 1 121 ? 212.987 40.454 15.321 1.00 157.34 ? 116 LYS B NZ 1 ATOM 3706 N N . ALA B 1 122 ? 219.224 43.553 17.888 1.00 185.49 ? 117 ALA B N 1 ATOM 3707 C CA . ALA B 1 122 ? 219.568 44.690 18.743 1.00 181.10 ? 117 ALA B CA 1 ATOM 3708 C C . ALA B 1 122 ? 220.983 44.556 19.307 1.00 185.40 ? 117 ALA B C 1 ATOM 3709 O O . ALA B 1 122 ? 221.597 43.494 19.214 1.00 184.08 ? 117 ALA B O 1 ATOM 3710 C CB . ALA B 1 122 ? 218.556 44.834 19.869 1.00 173.88 ? 117 ALA B CB 1 ATOM 3711 N N . TRP B 1 123 ? 221.490 45.632 19.903 1.00 172.11 ? 118 TRP B N 1 ATOM 3712 C CA . TRP B 1 123 ? 222.895 45.700 20.307 1.00 175.28 ? 118 TRP B CA 1 ATOM 3713 C C . TRP B 1 123 ? 223.160 45.512 21.806 1.00 175.33 ? 118 TRP B C 1 ATOM 3714 O O . TRP B 1 123 ? 224.312 45.551 22.237 1.00 175.18 ? 118 TRP B O 1 ATOM 3715 C CB . TRP B 1 123 ? 223.496 47.044 19.876 1.00 172.20 ? 118 TRP B CB 1 ATOM 3716 C CG . TRP B 1 123 ? 224.135 47.042 18.513 1.00 163.91 ? 118 TRP B CG 1 ATOM 3717 C CD1 . TRP B 1 123 ? 223.778 47.806 17.436 1.00 154.72 ? 118 TRP B CD1 1 ATOM 3718 C CD2 . TRP B 1 123 ? 225.247 46.244 18.086 1.00 149.97 ? 118 TRP B CD2 1 ATOM 3719 N NE1 . TRP B 1 123 ? 224.598 47.530 16.367 1.00 146.24 ? 118 TRP B NE1 1 ATOM 3720 C CE2 . TRP B 1 123 ? 225.507 46.574 16.740 1.00 144.98 ? 118 TRP B CE2 1 ATOM 3721 C CE3 . TRP B 1 123 ? 226.046 45.282 18.711 1.00 148.17 ? 118 TRP B CE3 1 ATOM 3722 C CZ2 . TRP B 1 123 ? 226.536 45.982 16.012 1.00 141.18 ? 118 TRP B CZ2 1 ATOM 3723 C CZ3 . TRP B 1 123 ? 227.062 44.690 17.984 1.00 146.51 ? 118 TRP B CZ3 1 ATOM 3724 C CH2 . TRP B 1 123 ? 227.296 45.040 16.647 1.00 142.16 ? 118 TRP B CH2 1 ATOM 3725 N N . GLY B 1 124 ? 222.112 45.314 22.599 1.00 249.62 ? 119 GLY B N 1 ATOM 3726 C CA . GLY B 1 124 ? 222.270 45.292 24.045 1.00 248.69 ? 119 GLY B CA 1 ATOM 3727 C C . GLY B 1 124 ? 222.279 43.924 24.709 1.00 252.97 ? 119 GLY B C 1 ATOM 3728 O O . GLY B 1 124 ? 221.945 43.806 25.891 1.00 253.76 ? 119 GLY B O 1 ATOM 3729 N N . LYS B 1 125 ? 222.676 42.894 23.966 1.00 227.11 ? 120 LYS B N 1 ATOM 3730 C CA . LYS B 1 125 ? 222.640 41.522 24.475 1.00 228.00 ? 120 LYS B CA 1 ATOM 3731 C C . LYS B 1 125 ? 223.717 41.232 25.524 1.00 230.03 ? 120 LYS B C 1 ATOM 3732 O O . LYS B 1 125 ? 224.809 41.805 25.490 1.00 225.50 ? 120 LYS B O 1 ATOM 3733 C CB . LYS B 1 125 ? 222.773 40.525 23.320 1.00 223.84 ? 120 LYS B CB 1 ATOM 3734 C CG . LYS B 1 125 ? 221.443 40.013 22.779 1.00 225.15 ? 120 LYS B CG 1 ATOM 3735 C CD . LYS B 1 125 ? 220.588 41.140 22.220 1.00 222.60 ? 120 LYS B CD 1 ATOM 3736 C CE . LYS B 1 125 ? 219.336 40.597 21.552 1.00 217.74 ? 120 LYS B CE 1 ATOM 3737 N NZ . LYS B 1 125 ? 218.575 41.666 20.848 1.00 215.38 ? 120 LYS B NZ 1 ATOM 3738 N N . SER B 1 126 ? 223.391 40.330 26.449 1.00 191.33 ? 121 SER B N 1 ATOM 3739 C CA . SER B 1 126 ? 224.296 39.945 27.529 1.00 186.49 ? 121 SER B CA 1 ATOM 3740 C C . SER B 1 126 ? 224.170 38.455 27.844 1.00 186.64 ? 121 SER B C 1 ATOM 3741 O O . SER B 1 126 ? 223.429 37.729 27.175 1.00 181.79 ? 121 SER B O 1 ATOM 3742 C CB . SER B 1 126 ? 224.012 40.764 28.793 1.00 180.49 ? 121 SER B CB 1 ATOM 3743 O OG . SER B 1 126 ? 223.804 42.135 28.494 1.00 184.22 ? 121 SER B OG 1 ATOM 3744 N N . TYR B 1 127 ? 224.913 38.012 28.859 1.00 241.12 ? 122 TYR B N 1 ATOM 3745 C CA . TYR B 1 127 ? 224.822 36.653 29.404 1.00 240.01 ? 122 TYR B CA 1 ATOM 3746 C C . TYR B 1 127 ? 225.184 35.562 28.390 1.00 240.01 ? 122 TYR B C 1 ATOM 3747 O O . TYR B 1 127 ? 224.973 34.375 28.648 1.00 240.24 ? 122 TYR B O 1 ATOM 3748 C CB . TYR B 1 127 ? 223.412 36.395 29.954 1.00 239.12 ? 122 TYR B CB 1 ATOM 3749 C CG . TYR B 1 127 ? 222.877 37.497 30.849 1.00 236.11 ? 122 TYR B CG 1 ATOM 3750 C CD1 . TYR B 1 127 ? 223.694 38.125 31.784 1.00 229.07 ? 122 TYR B CD1 1 ATOM 3751 C CD2 . TYR B 1 127 ? 221.553 37.915 30.751 1.00 232.36 ? 122 TYR B CD2 1 ATOM 3752 C CE1 . TYR B 1 127 ? 223.206 39.134 32.599 1.00 214.67 ? 122 TYR B CE1 1 ATOM 3753 C CE2 . TYR B 1 127 ? 221.057 38.923 31.562 1.00 223.89 ? 122 TYR B CE2 1 ATOM 3754 C CZ . TYR B 1 127 ? 221.888 39.528 32.484 1.00 216.14 ? 122 TYR B CZ 1 ATOM 3755 O OH . TYR B 1 127 ? 221.399 40.531 33.292 1.00 210.62 ? 122 TYR B OH 1 ATOM 3756 N N . PHE B 1 128 ? 225.730 35.965 27.246 1.00 218.30 ? 123 PHE B N 1 ATOM 3757 C CA . PHE B 1 128 ? 226.105 35.018 26.200 1.00 215.30 ? 123 PHE B CA 1 ATOM 3758 C C . PHE B 1 128 ? 227.540 34.533 26.378 1.00 214.75 ? 123 PHE B C 1 ATOM 3759 O O . PHE B 1 128 ? 228.287 35.054 27.209 1.00 213.84 ? 123 PHE B O 1 ATOM 3760 C CB . PHE B 1 128 ? 225.938 35.648 24.813 1.00 211.09 ? 123 PHE B CB 1 ATOM 3761 C CG . PHE B 1 128 ? 226.806 36.858 24.587 1.00 217.63 ? 123 PHE B CG 1 ATOM 3762 C CD1 . PHE B 1 128 ? 226.368 38.121 24.963 1.00 217.75 ? 123 PHE B CD1 1 ATOM 3763 C CD2 . PHE B 1 128 ? 228.056 36.736 23.995 1.00 211.67 ? 123 PHE B CD2 1 ATOM 3764 C CE1 . PHE B 1 128 ? 227.161 39.238 24.758 1.00 209.80 ? 123 PHE B CE1 1 ATOM 3765 C CE2 . PHE B 1 128 ? 228.854 37.850 23.788 1.00 205.38 ? 123 PHE B CE2 1 ATOM 3766 C CZ . PHE B 1 128 ? 228.406 39.102 24.170 1.00 205.05 ? 123 PHE B CZ 1 ATOM 3767 N N . VAL B 1 129 ? 227.922 33.538 25.587 1.00 205.53 ? 124 VAL B N 1 ATOM 3768 C CA . VAL B 1 129 ? 229.284 33.029 25.627 1.00 205.49 ? 124 VAL B CA 1 ATOM 3769 C C . VAL B 1 129 ? 230.181 33.810 24.675 1.00 202.58 ? 124 VAL B C 1 ATOM 3770 O O . VAL B 1 129 ? 229.809 34.076 23.531 1.00 199.03 ? 124 VAL B O 1 ATOM 3771 C CB . VAL B 1 129 ? 229.348 31.535 25.262 1.00 198.95 ? 124 VAL B CB 1 ATOM 3772 C CG1 . VAL B 1 129 ? 230.782 31.030 25.375 1.00 199.52 ? 124 VAL B CG1 1 ATOM 3773 C CG2 . VAL B 1 129 ? 228.412 30.728 26.151 1.00 193.24 ? 124 VAL B CG2 1 ATOM 3774 N N . ARG B 1 130 ? 231.363 34.181 25.155 1.00 182.72 ? 125 ARG B N 1 ATOM 3775 C CA . ARG B 1 130 ? 232.342 34.849 24.313 1.00 180.55 ? 125 ARG B CA 1 ATOM 3776 C C . ARG B 1 130 ? 232.923 33.873 23.294 1.00 175.39 ? 125 ARG B C 1 ATOM 3777 O O . ARG B 1 130 ? 233.079 32.683 23.572 1.00 178.48 ? 125 ARG B O 1 ATOM 3778 C CB . ARG B 1 130 ? 233.458 35.466 25.160 1.00 179.66 ? 125 ARG B CB 1 ATOM 3779 C CG . ARG B 1 130 ? 233.331 35.233 26.660 1.00 181.75 ? 125 ARG B CG 1 ATOM 3780 C CD . ARG B 1 130 ? 234.093 33.992 27.098 1.00 185.99 ? 125 ARG B CD 1 ATOM 3781 N NE . ARG B 1 130 ? 234.437 34.038 28.516 1.00 191.26 ? 125 ARG B NE 1 ATOM 3782 C CZ . ARG B 1 130 ? 235.223 33.154 29.124 1.00 194.23 ? 125 ARG B CZ 1 ATOM 3783 N NH1 . ARG B 1 130 ? 235.751 32.151 28.436 1.00 191.71 ? 125 ARG B NH1 1 ATOM 3784 N NH2 . ARG B 1 130 ? 235.484 33.275 30.418 1.00 194.43 ? 125 ARG B NH2 1 ATOM 3785 N N . ALA B 1 131 ? 233.235 34.387 22.110 1.00 153.00 ? 126 ALA B N 1 ATOM 3786 C CA . ALA B 1 131 ? 233.793 33.569 21.042 1.00 153.24 ? 126 ALA B CA 1 ATOM 3787 C C . ALA B 1 131 ? 235.240 33.185 21.334 1.00 146.73 ? 126 ALA B C 1 ATOM 3788 O O . ALA B 1 131 ? 235.862 33.719 22.253 1.00 144.62 ? 126 ALA B O 1 ATOM 3789 C CB . ALA B 1 131 ? 233.697 34.303 19.713 1.00 156.25 ? 126 ALA B CB 1 ATOM 3790 N N . ALA B 1 132 ? 235.767 32.255 20.546 1.00 149.81 ? 127 ALA B N 1 ATOM 3791 C CA . ALA B 1 132 ? 237.149 31.816 20.696 1.00 157.53 ? 127 ALA B CA 1 ATOM 3792 C C . ALA B 1 132 ? 238.085 32.692 19.871 1.00 154.52 ? 127 ALA B C 1 ATOM 3793 O O . ALA B 1 132 ? 237.667 33.311 18.892 1.00 156.52 ? 127 ALA B O 1 ATOM 3794 C CB . ALA B 1 132 ? 237.292 30.356 20.290 1.00 153.93 ? 127 ALA B CB 1 ATOM 3795 N N . LYS B 1 133 ? 239.352 32.743 20.269 1.00 148.46 ? 128 LYS B N 1 ATOM 3796 C CA . LYS B 1 133 ? 240.340 33.539 19.551 1.00 148.90 ? 128 LYS B CA 1 ATOM 3797 C C . LYS B 1 133 ? 240.687 32.905 18.208 1.00 147.54 ? 128 LYS B C 1 ATOM 3798 O O . LYS B 1 133 ? 240.293 31.773 17.923 1.00 146.37 ? 128 LYS B O 1 ATOM 3799 C CB . LYS B 1 133 ? 241.600 33.723 20.401 1.00 144.59 ? 128 LYS B CB 1 ATOM 3800 C CG . LYS B 1 133 ? 241.405 34.679 21.567 1.00 140.63 ? 128 LYS B CG 1 ATOM 3801 C CD . LYS B 1 133 ? 242.599 34.690 22.504 1.00 140.92 ? 128 LYS B CD 1 ATOM 3802 C CE . LYS B 1 133 ? 242.372 35.662 23.651 1.00 148.07 ? 128 LYS B CE 1 ATOM 3803 N NZ . LYS B 1 133 ? 243.436 35.571 24.689 1.00 150.54 ? 128 LYS B NZ 1 ATOM 3804 N N . THR B 1 134 ? 241.419 33.647 17.383 1.00 163.93 ? 129 THR B N 1 ATOM 3805 C CA . THR B 1 134 ? 241.749 33.201 16.034 1.00 163.76 ? 129 THR B CA 1 ATOM 3806 C C . THR B 1 134 ? 243.077 33.798 15.578 1.00 162.88 ? 129 THR B C 1 ATOM 3807 O O . THR B 1 134 ? 243.427 34.910 15.974 1.00 162.24 ? 129 THR B O 1 ATOM 3808 C CB . THR B 1 134 ? 240.644 33.596 15.026 1.00 168.81 ? 129 THR B CB 1 ATOM 3809 O OG1 . THR B 1 134 ? 239.360 33.219 15.538 1.00 169.36 ? 129 THR B OG1 1 ATOM 3810 C CG2 . THR B 1 134 ? 240.869 32.922 13.681 1.00 170.46 ? 129 THR B CG2 1 ATOM 3811 N N . ASN B 1 135 ? 243.817 33.053 14.759 1.00 207.26 ? 130 ASN B N 1 ATOM 3812 C CA . ASN B 1 135 ? 245.005 33.587 14.101 1.00 208.36 ? 130 ASN B CA 1 ATOM 3813 C C . ASN B 1 135 ? 244.654 34.843 13.312 1.00 203.54 ? 130 ASN B C 1 ATOM 3814 O O . ASN B 1 135 ? 245.411 35.816 13.299 1.00 202.18 ? 130 ASN B O 1 ATOM 3815 C CB . ASN B 1 135 ? 245.634 32.541 13.178 1.00 207.13 ? 130 ASN B CB 1 ATOM 3816 C CG . ASN B 1 135 ? 246.431 31.496 13.935 1.00 212.09 ? 130 ASN B CG 1 ATOM 3817 O OD1 . ASN B 1 135 ? 246.241 31.300 15.136 1.00 213.10 ? 130 ASN B OD1 1 ATOM 3818 N ND2 . ASN B 1 135 ? 247.336 30.820 13.233 1.00 215.28 ? 130 ASN B ND2 1 ATOM 3819 N N . ASN B 1 136 ? 243.496 34.812 12.659 1.00 160.77 ? 131 ASN B N 1 ATOM 3820 C CA . ASN B 1 136 ? 242.956 35.987 11.989 1.00 156.15 ? 131 ASN B CA 1 ATOM 3821 C C . ASN B 1 136 ? 242.432 37.004 12.995 1.00 157.03 ? 131 ASN B C 1 ATOM 3822 O O . ASN B 1 136 ? 241.484 36.729 13.734 1.00 153.19 ? 131 ASN B O 1 ATOM 3823 C CB . ASN B 1 136 ? 241.842 35.588 11.022 1.00 159.25 ? 131 ASN B CB 1 ATOM 3824 C CG . ASN B 1 136 ? 242.277 35.659 9.573 1.00 165.83 ? 131 ASN B CG 1 ATOM 3825 O OD1 . ASN B 1 136 ? 243.464 35.557 9.263 1.00 164.01 ? 131 ASN B OD1 1 ATOM 3826 N ND2 . ASN B 1 136 ? 241.315 35.842 8.676 1.00 171.42 ? 131 ASN B ND2 1 ATOM 3827 N N . SER B 1 137 ? 243.054 38.178 13.022 1.00 144.35 ? 132 SER B N 1 ATOM 3828 C CA . SER B 1 137 ? 242.659 39.227 13.953 1.00 138.66 ? 132 SER B CA 1 ATOM 3829 C C . SER B 1 137 ? 242.312 40.521 13.223 1.00 131.36 ? 132 SER B C 1 ATOM 3830 O O . SER B 1 137 ? 243.101 41.028 12.425 1.00 130.45 ? 132 SER B O 1 ATOM 3831 C CB . SER B 1 137 ? 243.772 39.483 14.974 1.00 131.41 ? 132 SER B CB 1 ATOM 3832 O OG . SER B 1 137 ? 244.031 38.326 15.752 1.00 126.22 ? 132 SER B OG 1 ATOM 3833 N N . PHE B 1 138 ? 241.120 41.042 13.496 1.00 123.37 ? 133 PHE B N 1 ATOM 3834 C CA . PHE B 1 138 ? 240.707 42.336 12.972 1.00 115.39 ? 133 PHE B CA 1 ATOM 3835 C C . PHE B 1 138 ? 241.070 43.412 13.988 1.00 114.72 ? 133 PHE B C 1 ATOM 3836 O O . PHE B 1 138 ? 240.412 43.558 15.020 1.00 115.31 ? 133 PHE B O 1 ATOM 3837 C CB . PHE B 1 138 ? 239.210 42.350 12.673 1.00 110.71 ? 133 PHE B CB 1 ATOM 3838 C CG . PHE B 1 138 ? 238.786 43.457 11.754 1.00 101.06 ? 133 PHE B CG 1 ATOM 3839 C CD1 . PHE B 1 138 ? 239.025 43.373 10.392 1.00 107.15 ? 133 PHE B CD1 1 ATOM 3840 C CD2 . PHE B 1 138 ? 238.137 44.575 12.249 1.00 103.02 ? 133 PHE B CD2 1 ATOM 3841 C CE1 . PHE B 1 138 ? 238.632 44.388 9.539 1.00 100.17 ? 133 PHE B CE1 1 ATOM 3842 C CE2 . PHE B 1 138 ? 237.740 45.593 11.402 1.00 99.33 ? 133 PHE B CE2 1 ATOM 3843 C CZ . PHE B 1 138 ? 237.988 45.499 10.046 1.00 99.72 ? 133 PHE B CZ 1 ATOM 3844 N N . VAL B 1 139 ? 242.125 44.160 13.687 1.00 129.09 ? 134 VAL B N 1 ATOM 3845 C CA . VAL B 1 139 ? 242.727 45.066 14.656 1.00 122.98 ? 134 VAL B CA 1 ATOM 3846 C C . VAL B 1 139 ? 242.030 46.427 14.723 1.00 117.66 ? 134 VAL B C 1 ATOM 3847 O O . VAL B 1 139 ? 241.564 46.959 13.715 1.00 118.94 ? 134 VAL B O 1 ATOM 3848 C CB . VAL B 1 139 ? 244.234 45.250 14.346 1.00 127.01 ? 134 VAL B CB 1 ATOM 3849 C CG1 . VAL B 1 139 ? 244.607 46.719 14.205 1.00 124.59 ? 134 VAL B CG1 1 ATOM 3850 C CG2 . VAL B 1 139 ? 245.076 44.568 15.412 1.00 125.95 ? 134 VAL B CG2 1 ATOM 3851 N N . VAL B 1 140 ? 241.942 46.969 15.933 1.00 105.03 ? 135 VAL B N 1 ATOM 3852 C CA . VAL B 1 140 ? 241.376 48.292 16.161 1.00 104.02 ? 135 VAL B CA 1 ATOM 3853 C C . VAL B 1 140 ? 242.330 49.096 17.041 1.00 103.18 ? 135 VAL B C 1 ATOM 3854 O O . VAL B 1 140 ? 242.301 48.977 18.269 1.00 108.13 ? 135 VAL B O 1 ATOM 3855 C CB . VAL B 1 140 ? 239.980 48.215 16.825 1.00 100.83 ? 135 VAL B CB 1 ATOM 3856 C CG1 . VAL B 1 140 ? 239.449 49.610 17.129 1.00 98.43 ? 135 VAL B CG1 1 ATOM 3857 C CG2 . VAL B 1 140 ? 239.007 47.457 15.936 1.00 101.16 ? 135 VAL B CG2 1 ATOM 3858 N N . ASP B 1 141 ? 243.184 49.893 16.402 1.00 99.77 ? 136 ASP B N 1 ATOM 3859 C CA . ASP B 1 141 ? 244.189 50.695 17.101 1.00 105.17 ? 136 ASP B CA 1 ATOM 3860 C C . ASP B 1 141 ? 245.083 49.828 17.990 1.00 107.32 ? 136 ASP B C 1 ATOM 3861 O O . ASP B 1 141 ? 245.282 48.643 17.721 1.00 111.68 ? 136 ASP B O 1 ATOM 3862 C CB . ASP B 1 141 ? 243.515 51.788 17.941 1.00 106.02 ? 136 ASP B CB 1 ATOM 3863 C CG . ASP B 1 141 ? 242.544 52.637 17.134 1.00 98.44 ? 136 ASP B CG 1 ATOM 3864 O OD1 . ASP B 1 141 ? 242.864 52.983 15.976 1.00 94.57 ? 136 ASP B OD1 1 ATOM 3865 O OD2 . ASP B 1 141 ? 241.456 52.956 17.662 1.00 89.95 ? 136 ASP B OD2 1 ATOM 3866 N N . GLY B 1 142 ? 245.627 50.431 19.042 1.00 109.51 ? 137 GLY B N 1 ATOM 3867 C CA . GLY B 1 142 ? 246.338 49.697 20.074 1.00 112.83 ? 137 GLY B CA 1 ATOM 3868 C C . GLY B 1 142 ? 247.663 49.059 19.702 1.00 120.60 ? 137 GLY B C 1 ATOM 3869 O O . GLY B 1 142 ? 247.835 47.851 19.880 1.00 125.70 ? 137 GLY B O 1 ATOM 3870 N N . ASP B 1 143 ? 248.595 49.868 19.200 1.00 131.61 ? 138 ASP B N 1 ATOM 3871 C CA . ASP B 1 143 ? 249.980 49.442 18.965 1.00 136.86 ? 138 ASP B CA 1 ATOM 3872 C C . ASP B 1 143 ? 250.079 48.160 18.136 1.00 135.48 ? 138 ASP B C 1 ATOM 3873 O O . ASP B 1 143 ? 250.569 47.133 18.612 1.00 131.67 ? 138 ASP B O 1 ATOM 3874 C CB . ASP B 1 143 ? 250.702 49.257 20.306 1.00 136.84 ? 138 ASP B CB 1 ATOM 3875 C CG . ASP B 1 143 ? 252.187 48.985 20.141 1.00 139.81 ? 138 ASP B CG 1 ATOM 3876 O OD1 . ASP B 1 143 ? 252.754 49.366 19.095 1.00 137.94 ? 138 ASP B OD1 1 ATOM 3877 O OD2 . ASP B 1 143 ? 252.785 48.385 21.060 1.00 136.55 ? 138 ASP B OD2 1 ATOM 3878 N N . THR B 1 144 ? 249.608 48.222 16.895 1.00 110.11 ? 139 THR B N 1 ATOM 3879 C CA . THR B 1 144 ? 249.563 47.041 16.039 1.00 103.40 ? 139 THR B CA 1 ATOM 3880 C C . THR B 1 144 ? 249.907 47.358 14.589 1.00 104.24 ? 139 THR B C 1 ATOM 3881 O O . THR B 1 144 ? 249.527 46.616 13.682 1.00 101.64 ? 139 THR B O 1 ATOM 3882 C CB . THR B 1 144 ? 248.174 46.381 16.075 1.00 104.70 ? 139 THR B CB 1 ATOM 3883 O OG1 . THR B 1 144 ? 247.167 47.388 15.917 1.00 107.30 ? 139 THR B OG1 1 ATOM 3884 C CG2 . THR B 1 144 ? 247.951 45.658 17.395 1.00 106.16 ? 139 THR B CG2 1 ATOM 3885 N N . LEU B 1 145 ? 250.619 48.459 14.371 1.00 115.88 ? 140 LEU B N 1 ATOM 3886 C CA . LEU B 1 145 ? 251.020 48.847 13.022 1.00 116.23 ? 140 LEU B CA 1 ATOM 3887 C C . LEU B 1 145 ? 251.961 47.809 12.416 1.00 114.97 ? 140 LEU B C 1 ATOM 3888 O O . LEU B 1 145 ? 251.984 47.609 11.201 1.00 107.52 ? 140 LEU B O 1 ATOM 3889 C CB . LEU B 1 145 ? 251.687 50.227 13.027 1.00 116.55 ? 140 LEU B CB 1 ATOM 3890 C CG . LEU B 1 145 ? 250.774 51.434 13.266 1.00 116.88 ? 140 LEU B CG 1 ATOM 3891 C CD1 . LEU B 1 145 ? 251.542 52.741 13.108 1.00 122.62 ? 140 LEU B CD1 1 ATOM 3892 C CD2 . LEU B 1 145 ? 249.574 51.398 12.328 1.00 113.03 ? 140 LEU B CD2 1 ATOM 3893 N N . LYS B 1 146 ? 252.727 47.144 13.276 1.00 127.43 ? 141 LYS B N 1 ATOM 3894 C CA . LYS B 1 146 ? 253.684 46.135 12.839 1.00 124.77 ? 141 LYS B CA 1 ATOM 3895 C C . LYS B 1 146 ? 253.000 44.951 12.157 1.00 128.71 ? 141 LYS B C 1 ATOM 3896 O O . LYS B 1 146 ? 253.494 44.439 11.153 1.00 126.77 ? 141 LYS B O 1 ATOM 3897 C CB . LYS B 1 146 ? 254.523 45.651 14.024 1.00 124.46 ? 141 LYS B CB 1 ATOM 3898 C CG . LYS B 1 146 ? 255.605 46.632 14.453 1.00 127.53 ? 141 LYS B CG 1 ATOM 3899 C CD . LYS B 1 146 ? 256.594 46.873 13.322 1.00 126.21 ? 141 LYS B CD 1 ATOM 3900 C CE . LYS B 1 146 ? 257.637 47.913 13.697 1.00 130.65 ? 141 LYS B CE 1 ATOM 3901 N NZ . LYS B 1 146 ? 258.598 48.151 12.583 1.00 130.06 ? 141 LYS B NZ 1 ATOM 3902 N N . GLU B 1 147 ? 251.862 44.524 12.696 1.00 118.99 ? 142 GLU B N 1 ATOM 3903 C CA . GLU B 1 147 ? 251.140 43.392 12.125 1.00 114.41 ? 142 GLU B CA 1 ATOM 3904 C C . GLU B 1 147 ? 250.042 43.840 11.163 1.00 115.89 ? 142 GLU B C 1 ATOM 3905 O O . GLU B 1 147 ? 249.395 43.013 10.521 1.00 110.63 ? 142 GLU B O 1 ATOM 3906 C CB . GLU B 1 147 ? 250.541 42.521 13.231 1.00 115.74 ? 142 GLU B CB 1 ATOM 3907 C CG . GLU B 1 147 ? 249.488 43.210 14.081 1.00 116.56 ? 142 GLU B CG 1 ATOM 3908 C CD . GLU B 1 147 ? 248.708 42.229 14.936 1.00 120.10 ? 142 GLU B CD 1 ATOM 3909 O OE1 . GLU B 1 147 ? 248.344 41.150 14.419 1.00 118.44 ? 142 GLU B OE1 1 ATOM 3910 O OE2 . GLU B 1 147 ? 248.465 42.530 16.123 1.00 116.74 ? 142 GLU B OE2 1 ATOM 3911 N N . CYS B 1 148 ? 249.835 45.150 11.068 1.00 137.57 ? 143 CYS B N 1 ATOM 3912 C CA . CYS B 1 148 ? 248.846 45.713 10.153 1.00 131.57 ? 143 CYS B CA 1 ATOM 3913 C C . CYS B 1 148 ? 249.103 47.195 9.925 1.00 127.33 ? 143 CYS B C 1 ATOM 3914 O O . CYS B 1 148 ? 248.723 48.026 10.750 1.00 126.09 ? 143 CYS B O 1 ATOM 3915 C CB . CYS B 1 148 ? 247.427 45.512 10.688 1.00 131.97 ? 143 CYS B CB 1 ATOM 3916 S SG . CYS B 1 148 ? 246.150 46.326 9.695 1.00 134.78 ? 143 CYS B SG 1 ATOM 3917 N N . PRO B 1 149 ? 249.741 47.532 8.796 1.00 114.84 ? 144 PRO B N 1 ATOM 3918 C CA . PRO B 1 149 ? 250.106 48.924 8.515 1.00 118.07 ? 144 PRO B CA 1 ATOM 3919 C C . PRO B 1 149 ? 248.892 49.825 8.312 1.00 117.62 ? 144 PRO B C 1 ATOM 3920 O O . PRO B 1 149 ? 247.799 49.342 8.005 1.00 114.84 ? 144 PRO B O 1 ATOM 3921 C CB . PRO B 1 149 ? 250.928 48.818 7.228 1.00 121.48 ? 144 PRO B CB 1 ATOM 3922 C CG . PRO B 1 149 ? 250.441 47.572 6.575 1.00 115.65 ? 144 PRO B CG 1 ATOM 3923 C CD . PRO B 1 149 ? 250.117 46.628 7.696 1.00 109.95 ? 144 PRO B CD 1 ATOM 3924 N N . LEU B 1 150 ? 249.106 51.124 8.495 1.00 105.57 ? 145 LEU B N 1 ATOM 3925 C CA . LEU B 1 150 ? 248.074 52.144 8.347 1.00 92.27 ? 145 LEU B CA 1 ATOM 3926 C C . LEU B 1 150 ? 247.304 52.002 7.041 1.00 88.74 ? 145 LEU B C 1 ATOM 3927 O O . LEU B 1 150 ? 246.076 52.069 7.017 1.00 94.26 ? 145 LEU B O 1 ATOM 3928 C CB . LEU B 1 150 ? 248.710 53.535 8.410 1.00 93.57 ? 145 LEU B CB 1 ATOM 3929 C CG . LEU B 1 150 ? 248.051 54.685 9.174 1.00 86.57 ? 145 LEU B CG 1 ATOM 3930 C CD1 . LEU B 1 150 ? 248.623 56.004 8.673 1.00 85.88 ? 145 LEU B CD1 1 ATOM 3931 C CD2 . LEU B 1 150 ? 246.533 54.666 9.054 1.00 89.65 ? 145 LEU B CD2 1 ATOM 3932 N N . LYS B 1 151 ? 248.044 51.786 5.959 1.00 102.12 ? 146 LYS B N 1 ATOM 3933 C CA . LYS B 1 151 ? 247.498 51.887 4.611 1.00 106.82 ? 146 LYS B CA 1 ATOM 3934 C C . LYS B 1 151 ? 246.696 50.657 4.189 1.00 105.01 ? 146 LYS B C 1 ATOM 3935 O O . LYS B 1 151 ? 246.356 50.499 3.016 1.00 110.83 ? 146 LYS B O 1 ATOM 3936 C CB . LYS B 1 151 ? 248.635 52.159 3.624 1.00 113.34 ? 146 LYS B CB 1 ATOM 3937 C CG . LYS B 1 151 ? 249.420 53.421 3.976 1.00 124.77 ? 146 LYS B CG 1 ATOM 3938 C CD . LYS B 1 151 ? 250.712 53.546 3.186 1.00 134.84 ? 146 LYS B CD 1 ATOM 3939 C CE . LYS B 1 151 ? 251.544 54.716 3.695 1.00 133.90 ? 146 LYS B CE 1 ATOM 3940 N NZ . LYS B 1 151 ? 252.815 54.881 2.934 1.00 129.34 ? 146 LYS B NZ 1 ATOM 3941 N N . HIS B 1 152 ? 246.390 49.795 5.153 1.00 94.28 ? 147 HIS B N 1 ATOM 3942 C CA . HIS B 1 152 ? 245.477 48.681 4.930 1.00 98.89 ? 147 HIS B CA 1 ATOM 3943 C C . HIS B 1 152 ? 244.344 48.727 5.947 1.00 99.49 ? 147 HIS B C 1 ATOM 3944 O O . HIS B 1 152 ? 243.714 47.710 6.232 1.00 108.16 ? 147 HIS B O 1 ATOM 3945 C CB . HIS B 1 152 ? 246.210 47.341 5.021 1.00 101.89 ? 147 HIS B CB 1 ATOM 3946 C CG . HIS B 1 152 ? 247.069 47.036 3.834 1.00 103.46 ? 147 HIS B CG 1 ATOM 3947 N ND1 . HIS B 1 152 ? 246.821 47.554 2.581 1.00 108.57 ? 147 HIS B ND1 1 ATOM 3948 C CD2 . HIS B 1 152 ? 248.174 46.263 3.710 1.00 102.25 ? 147 HIS B CD2 1 ATOM 3949 C CE1 . HIS B 1 152 ? 247.737 47.115 1.737 1.00 114.71 ? 147 HIS B CE1 1 ATOM 3950 N NE2 . HIS B 1 152 ? 248.570 46.330 2.397 1.00 117.14 ? 147 HIS B NE2 1 ATOM 3951 N N . ARG B 1 153 ? 244.089 49.913 6.492 1.00 83.01 ? 148 ARG B N 1 ATOM 3952 C CA . ARG B 1 153 ? 243.089 50.068 7.542 1.00 86.79 ? 148 ARG B CA 1 ATOM 3953 C C . ARG B 1 153 ? 241.949 51.006 7.164 1.00 84.68 ? 148 ARG B C 1 ATOM 3954 O O . ARG B 1 153 ? 242.156 52.027 6.505 1.00 79.93 ? 148 ARG B O 1 ATOM 3955 C CB . ARG B 1 153 ? 243.737 50.582 8.825 1.00 90.47 ? 148 ARG B CB 1 ATOM 3956 C CG . ARG B 1 153 ? 244.723 49.635 9.468 1.00 93.54 ? 148 ARG B CG 1 ATOM 3957 C CD . ARG B 1 153 ? 244.900 50.011 10.926 1.00 90.24 ? 148 ARG B CD 1 ATOM 3958 N NE . ARG B 1 153 ? 245.988 49.280 11.563 1.00 97.36 ? 148 ARG B NE 1 ATOM 3959 C CZ . ARG B 1 153 ? 246.264 49.346 12.861 1.00 98.08 ? 148 ARG B CZ 1 ATOM 3960 N NH1 . ARG B 1 153 ? 245.525 50.101 13.663 1.00 93.88 ? 148 ARG B NH1 1 ATOM 3961 N NH2 . ARG B 1 153 ? 247.274 48.649 13.360 1.00 104.00 ? 148 ARG B NH2 1 ATOM 3962 N N . ALA B 1 154 ? 240.746 50.657 7.608 1.00 90.49 ? 149 ALA B N 1 ATOM 3963 C CA . ALA B 1 154 ? 239.583 51.510 7.423 1.00 86.63 ? 149 ALA B CA 1 ATOM 3964 C C . ALA B 1 154 ? 239.638 52.686 8.394 1.00 87.95 ? 149 ALA B C 1 ATOM 3965 O O . ALA B 1 154 ? 240.217 52.580 9.473 1.00 86.64 ? 149 ALA B O 1 ATOM 3966 C CB . ALA B 1 154 ? 238.302 50.717 7.609 1.00 85.07 ? 149 ALA B CB 1 ATOM 3967 N N . TRP B 1 155 ? 239.036 53.806 8.006 1.00 78.37 ? 150 TRP B N 1 ATOM 3968 C CA . TRP B 1 155 ? 239.096 55.022 8.811 1.00 75.12 ? 150 TRP B CA 1 ATOM 3969 C C . TRP B 1 155 ? 237.945 55.957 8.462 1.00 67.25 ? 150 TRP B C 1 ATOM 3970 O O . TRP B 1 155 ? 237.659 56.177 7.287 1.00 71.22 ? 150 TRP B O 1 ATOM 3971 C CB . TRP B 1 155 ? 240.442 55.724 8.605 1.00 70.63 ? 150 TRP B CB 1 ATOM 3972 C CG . TRP B 1 155 ? 240.537 57.087 9.224 1.00 67.75 ? 150 TRP B CG 1 ATOM 3973 C CD1 . TRP B 1 155 ? 240.949 57.389 10.489 1.00 59.61 ? 150 TRP B CD1 1 ATOM 3974 C CD2 . TRP B 1 155 ? 240.226 58.336 8.597 1.00 61.78 ? 150 TRP B CD2 1 ATOM 3975 N NE1 . TRP B 1 155 ? 240.906 58.746 10.691 1.00 57.06 ? 150 TRP B NE1 1 ATOM 3976 C CE2 . TRP B 1 155 ? 240.465 59.350 9.543 1.00 60.53 ? 150 TRP B CE2 1 ATOM 3977 C CE3 . TRP B 1 155 ? 239.764 58.693 7.329 1.00 59.56 ? 150 TRP B CE3 1 ATOM 3978 C CZ2 . TRP B 1 155 ? 240.256 60.699 9.260 1.00 58.16 ? 150 TRP B CZ2 1 ATOM 3979 C CZ3 . TRP B 1 155 ? 239.558 60.030 7.049 1.00 60.44 ? 150 TRP B CZ3 1 ATOM 3980 C CH2 . TRP B 1 155 ? 239.804 61.017 8.009 1.00 58.29 ? 150 TRP B CH2 1 ATOM 3981 N N . ASN B 1 156 ? 237.296 56.503 9.489 1.00 64.71 ? 151 ASN B N 1 ATOM 3982 C CA . ASN B 1 156 ? 236.135 57.372 9.313 1.00 71.85 ? 151 ASN B CA 1 ATOM 3983 C C . ASN B 1 156 ? 235.041 56.660 8.530 1.00 76.59 ? 151 ASN B C 1 ATOM 3984 O O . ASN B 1 156 ? 234.575 57.151 7.500 1.00 72.79 ? 151 ASN B O 1 ATOM 3985 C CB . ASN B 1 156 ? 236.529 58.672 8.608 1.00 63.70 ? 151 ASN B CB 1 ATOM 3986 C CG . ASN B 1 156 ? 235.499 59.766 8.780 1.00 65.83 ? 151 ASN B CG 1 ATOM 3987 O OD1 . ASN B 1 156 ? 234.744 59.776 9.753 1.00 74.95 ? 151 ASN B OD1 1 ATOM 3988 N ND2 . ASN B 1 156 ? 235.461 60.696 7.835 1.00 61.63 ? 151 ASN B ND2 1 ATOM 3989 N N . SER B 1 157 ? 234.643 55.493 9.024 1.00 81.86 ? 152 SER B N 1 ATOM 3990 C CA . SER B 1 157 ? 233.696 54.644 8.318 1.00 84.84 ? 152 SER B CA 1 ATOM 3991 C C . SER B 1 157 ? 232.262 54.911 8.750 1.00 87.55 ? 152 SER B C 1 ATOM 3992 O O . SER B 1 157 ? 231.320 54.634 8.009 1.00 87.32 ? 152 SER B O 1 ATOM 3993 C CB . SER B 1 157 ? 234.036 53.171 8.547 1.00 90.96 ? 152 SER B CB 1 ATOM 3994 O OG . SER B 1 157 ? 235.399 52.911 8.260 1.00 86.29 ? 152 SER B OG 1 ATOM 3995 N N . PHE B 1 158 ? 232.100 55.454 9.951 1.00 89.95 ? 153 PHE B N 1 ATOM 3996 C CA . PHE B 1 158 ? 230.772 55.609 10.528 1.00 90.60 ? 153 PHE B CA 1 ATOM 3997 C C . PHE B 1 158 ? 230.222 57.025 10.423 1.00 82.61 ? 153 PHE B C 1 ATOM 3998 O O . PHE B 1 158 ? 230.967 58.004 10.424 1.00 81.41 ? 153 PHE B O 1 ATOM 3999 C CB . PHE B 1 158 ? 230.784 55.167 11.992 1.00 88.73 ? 153 PHE B CB 1 ATOM 4000 C CG . PHE B 1 158 ? 230.975 53.690 12.170 1.00 99.21 ? 153 PHE B CG 1 ATOM 4001 C CD1 . PHE B 1 158 ? 229.889 52.829 12.127 1.00 105.05 ? 153 PHE B CD1 1 ATOM 4002 C CD2 . PHE B 1 158 ? 232.240 53.159 12.366 1.00 96.69 ? 153 PHE B CD2 1 ATOM 4003 C CE1 . PHE B 1 158 ? 230.059 51.465 12.283 1.00 109.66 ? 153 PHE B CE1 1 ATOM 4004 C CE2 . PHE B 1 158 ? 232.418 51.795 12.524 1.00 102.36 ? 153 PHE B CE2 1 ATOM 4005 C CZ . PHE B 1 158 ? 231.325 50.947 12.483 1.00 109.07 ? 153 PHE B CZ 1 ATOM 4006 N N . LEU B 1 159 ? 228.900 57.108 10.326 1.00 90.24 ? 154 LEU B N 1 ATOM 4007 C CA . LEU B 1 159 ? 228.184 58.374 10.335 1.00 86.00 ? 154 LEU B CA 1 ATOM 4008 C C . LEU B 1 159 ? 227.021 58.291 11.313 1.00 98.69 ? 154 LEU B C 1 ATOM 4009 O O . LEU B 1 159 ? 226.288 57.303 11.324 1.00 109.91 ? 154 LEU B O 1 ATOM 4010 C CB . LEU B 1 159 ? 227.669 58.718 8.936 1.00 89.08 ? 154 LEU B CB 1 ATOM 4011 C CG . LEU B 1 159 ? 228.475 59.703 8.094 1.00 82.77 ? 154 LEU B CG 1 ATOM 4012 C CD1 . LEU B 1 159 ? 227.844 59.858 6.720 1.00 88.26 ? 154 LEU B CD1 1 ATOM 4013 C CD2 . LEU B 1 159 ? 228.556 61.043 8.801 1.00 87.40 ? 154 LEU B CD2 1 ATOM 4014 N N . VAL B 1 160 ? 226.852 59.321 12.137 1.00 79.27 ? 155 VAL B N 1 ATOM 4015 C CA . VAL B 1 160 ? 225.687 59.398 13.012 1.00 87.72 ? 155 VAL B CA 1 ATOM 4016 C C . VAL B 1 160 ? 224.442 59.662 12.168 1.00 98.48 ? 155 VAL B C 1 ATOM 4017 O O . VAL B 1 160 ? 224.480 60.467 11.238 1.00 95.22 ? 155 VAL B O 1 ATOM 4018 C CB . VAL B 1 160 ? 225.841 60.504 14.076 1.00 82.85 ? 155 VAL B CB 1 ATOM 4019 C CG1 . VAL B 1 160 ? 224.592 60.604 14.934 1.00 104.54 ? 155 VAL B CG1 1 ATOM 4020 C CG2 . VAL B 1 160 ? 227.059 60.239 14.946 1.00 77.34 ? 155 VAL B CG2 1 ATOM 4021 N N . GLU B 1 161 ? 223.343 58.982 12.488 1.00 165.82 ? 156 GLU B N 1 ATOM 4022 C CA . GLU B 1 161 ? 222.098 59.140 11.739 1.00 173.86 ? 156 GLU B CA 1 ATOM 4023 C C . GLU B 1 161 ? 221.498 60.537 11.911 1.00 177.39 ? 156 GLU B C 1 ATOM 4024 O O . GLU B 1 161 ? 222.130 61.428 12.482 1.00 176.62 ? 156 GLU B O 1 ATOM 4025 C CB . GLU B 1 161 ? 221.086 58.075 12.166 1.00 177.38 ? 156 GLU B CB 1 ATOM 4026 C CG . GLU B 1 161 ? 221.606 56.652 12.028 1.00 178.05 ? 156 GLU B CG 1 ATOM 4027 C CD . GLU B 1 161 ? 220.569 55.608 12.399 1.00 187.48 ? 156 GLU B CD 1 ATOM 4028 O OE1 . GLU B 1 161 ? 220.723 54.441 11.974 1.00 181.24 ? 156 GLU B OE1 1 ATOM 4029 O OE2 . GLU B 1 161 ? 219.604 55.951 13.116 1.00 190.10 ? 156 GLU B OE2 1 ATOM 4030 N N . ASP B 1 162 ? 220.280 60.724 11.408 1.00 253.83 ? 157 ASP B N 1 ATOM 4031 C CA . ASP B 1 162 ? 219.625 62.029 11.450 1.00 260.20 ? 157 ASP B CA 1 ATOM 4032 C C . ASP B 1 162 ? 219.460 62.513 12.891 1.00 265.11 ? 157 ASP B C 1 ATOM 4033 O O . ASP B 1 162 ? 220.061 63.512 13.294 1.00 263.87 ? 157 ASP B O 1 ATOM 4034 C CB . ASP B 1 162 ? 218.263 61.971 10.747 1.00 266.16 ? 157 ASP B CB 1 ATOM 4035 C CG . ASP B 1 162 ? 217.772 63.343 10.302 1.00 265.92 ? 157 ASP B CG 1 ATOM 4036 O OD1 . ASP B 1 162 ? 218.051 64.344 10.998 1.00 260.33 ? 157 ASP B OD1 1 ATOM 4037 O OD2 . ASP B 1 162 ? 217.107 63.418 9.246 1.00 264.65 ? 157 ASP B OD2 1 ATOM 4038 N N . HIS B 1 163 ? 218.648 61.797 13.662 1.00 208.01 ? 158 HIS B N 1 ATOM 4039 C CA . HIS B 1 163 ? 218.454 62.115 15.071 1.00 201.51 ? 158 HIS B CA 1 ATOM 4040 C C . HIS B 1 163 ? 219.094 61.034 15.934 1.00 200.67 ? 158 HIS B C 1 ATOM 4041 O O . HIS B 1 163 ? 218.504 60.567 16.909 1.00 200.63 ? 158 HIS B O 1 ATOM 4042 C CB . HIS B 1 163 ? 216.965 62.256 15.392 1.00 196.77 ? 158 HIS B CB 1 ATOM 4043 C CG . HIS B 1 163 ? 216.219 63.111 14.414 1.00 203.43 ? 158 HIS B CG 1 ATOM 4044 N ND1 . HIS B 1 163 ? 216.358 64.482 14.364 1.00 200.16 ? 158 HIS B ND1 1 ATOM 4045 C CD2 . HIS B 1 163 ? 215.332 62.788 13.443 1.00 206.47 ? 158 HIS B CD2 1 ATOM 4046 C CE1 . HIS B 1 163 ? 215.586 64.967 13.408 1.00 201.55 ? 158 HIS B CE1 1 ATOM 4047 N NE2 . HIS B 1 163 ? 214.953 63.960 12.834 1.00 205.07 ? 158 HIS B NE2 1 ATOM 4048 N N . GLY B 1 164 ? 220.309 60.643 15.560 1.00 143.05 ? 159 GLY B N 1 ATOM 4049 C CA . GLY B 1 164 ? 221.012 59.566 16.230 1.00 137.70 ? 159 GLY B CA 1 ATOM 4050 C C . GLY B 1 164 ? 221.699 59.983 17.516 1.00 143.61 ? 159 GLY B C 1 ATOM 4051 O O . GLY B 1 164 ? 221.861 59.168 18.427 1.00 142.28 ? 159 GLY B O 1 ATOM 4052 N N . PHE B 1 165 ? 222.107 61.247 17.598 1.00 258.93 ? 160 PHE B N 1 ATOM 4053 C CA . PHE B 1 165 ? 222.827 61.728 18.775 1.00 262.19 ? 160 PHE B CA 1 ATOM 4054 C C . PHE B 1 165 ? 222.012 62.723 19.599 1.00 260.20 ? 160 PHE B C 1 ATOM 4055 O O . PHE B 1 165 ? 221.350 63.614 19.061 1.00 253.50 ? 160 PHE B O 1 ATOM 4056 C CB . PHE B 1 165 ? 224.163 62.366 18.373 1.00 261.04 ? 160 PHE B CB 1 ATOM 4057 C CG . PHE B 1 165 ? 224.994 62.828 19.546 1.00 260.32 ? 160 PHE B CG 1 ATOM 4058 C CD1 . PHE B 1 165 ? 225.719 61.916 20.303 1.00 259.98 ? 160 PHE B CD1 1 ATOM 4059 C CD2 . PHE B 1 165 ? 225.051 64.173 19.890 1.00 249.08 ? 160 PHE B CD2 1 ATOM 4060 C CE1 . PHE B 1 165 ? 226.482 62.336 21.385 1.00 255.60 ? 160 PHE B CE1 1 ATOM 4061 C CE2 . PHE B 1 165 ? 225.812 64.599 20.970 1.00 246.74 ? 160 PHE B CE2 1 ATOM 4062 C CZ . PHE B 1 165 ? 226.529 63.680 21.718 1.00 249.15 ? 160 PHE B CZ 1 ATOM 4063 N N . GLY B 1 166 ? 222.079 62.551 20.915 1.00 265.51 ? 161 GLY B N 1 ATOM 4064 C CA . GLY B 1 166 ? 221.447 63.450 21.863 1.00 265.61 ? 161 GLY B CA 1 ATOM 4065 C C . GLY B 1 166 ? 222.159 63.351 23.200 1.00 269.55 ? 161 GLY B C 1 ATOM 4066 O O . GLY B 1 166 ? 222.797 62.338 23.497 1.00 269.50 ? 161 GLY B O 1 ATOM 4067 N N . VAL B 1 167 ? 222.055 64.398 24.012 1.00 249.32 ? 162 VAL B N 1 ATOM 4068 C CA . VAL B 1 167 ? 222.763 64.433 25.287 1.00 245.85 ? 162 VAL B CA 1 ATOM 4069 C C . VAL B 1 167 ? 221.862 63.981 26.444 1.00 245.98 ? 162 VAL B C 1 ATOM 4070 O O . VAL B 1 167 ? 222.347 63.480 27.460 1.00 244.84 ? 162 VAL B O 1 ATOM 4071 C CB . VAL B 1 167 ? 223.325 65.850 25.568 1.00 232.05 ? 162 VAL B CB 1 ATOM 4072 C CG1 . VAL B 1 167 ? 222.199 66.865 25.691 1.00 224.49 ? 162 VAL B CG1 1 ATOM 4073 C CG2 . VAL B 1 167 ? 224.212 65.851 26.809 1.00 221.78 ? 162 VAL B CG2 1 ATOM 4074 N N . PHE B 1 168 ? 220.551 64.130 26.278 1.00 263.92 ? 163 PHE B N 1 ATOM 4075 C CA . PHE B 1 168 ? 219.602 63.776 27.333 1.00 255.90 ? 163 PHE B CA 1 ATOM 4076 C C . PHE B 1 168 ? 219.364 62.272 27.434 1.00 268.48 ? 163 PHE B C 1 ATOM 4077 O O . PHE B 1 168 ? 219.281 61.722 28.532 1.00 270.82 ? 163 PHE B O 1 ATOM 4078 N N . HIS B 1 169 ? 219.232 61.611 26.288 1.00 215.28 ? 164 HIS B N 1 ATOM 4079 C CA . HIS B 1 169 ? 219.234 60.154 26.263 1.00 217.70 ? 164 HIS B CA 1 ATOM 4080 C C . HIS B 1 169 ? 220.490 59.673 25.551 1.00 216.38 ? 164 HIS B C 1 ATOM 4081 O O . HIS B 1 169 ? 220.623 59.813 24.333 1.00 211.89 ? 164 HIS B O 1 ATOM 4082 C CB . HIS B 1 169 ? 217.985 59.596 25.583 1.00 215.89 ? 164 HIS B CB 1 ATOM 4083 C CG . HIS B 1 169 ? 217.882 58.103 25.657 1.00 220.49 ? 164 HIS B CG 1 ATOM 4084 N ND1 . HIS B 1 169 ? 217.268 57.349 24.680 1.00 223.25 ? 164 HIS B ND1 1 ATOM 4085 C CD2 . HIS B 1 169 ? 218.319 57.225 26.591 1.00 219.05 ? 164 HIS B CD2 1 ATOM 4086 C CE1 . HIS B 1 169 ? 217.330 56.071 25.009 1.00 222.11 ? 164 HIS B CE1 1 ATOM 4087 N NE2 . HIS B 1 169 ? 217.962 55.968 26.164 1.00 221.02 ? 164 HIS B NE2 1 ATOM 4088 N N . THR B 1 170 ? 221.406 59.102 26.325 1.00 194.00 ? 165 THR B N 1 ATOM 4089 C CA . THR B 1 170 ? 222.724 58.740 25.822 1.00 189.89 ? 165 THR B CA 1 ATOM 4090 C C . THR B 1 170 ? 222.705 57.453 24.999 1.00 189.42 ? 165 THR B C 1 ATOM 4091 O O . THR B 1 170 ? 223.318 56.451 25.366 1.00 187.35 ? 165 THR B O 1 ATOM 4092 C CB . THR B 1 170 ? 223.727 58.600 26.976 1.00 187.00 ? 165 THR B CB 1 ATOM 4093 O OG1 . THR B 1 170 ? 223.412 57.439 27.756 1.00 188.53 ? 165 THR B OG1 1 ATOM 4094 C CG2 . THR B 1 170 ? 223.667 59.837 27.860 1.00 182.62 ? 165 THR B CG2 1 ATOM 4095 N N . SER B 1 171 ? 221.971 57.494 23.891 1.00 179.24 ? 166 SER B N 1 ATOM 4096 C CA . SER B 1 171 ? 222.122 56.518 22.821 1.00 175.75 ? 166 SER B CA 1 ATOM 4097 C C . SER B 1 171 ? 222.808 57.216 21.648 1.00 171.54 ? 166 SER B C 1 ATOM 4098 O O . SER B 1 171 ? 222.616 58.414 21.433 1.00 169.68 ? 166 SER B O 1 ATOM 4099 C CB . SER B 1 171 ? 220.771 55.932 22.391 1.00 172.23 ? 166 SER B CB 1 ATOM 4100 O OG . SER B 1 171 ? 220.372 54.864 23.235 1.00 174.97 ? 166 SER B OG 1 ATOM 4101 N N . VAL B 1 172 ? 223.627 56.473 20.910 1.00 145.00 ? 167 VAL B N 1 ATOM 4102 C CA . VAL B 1 172 ? 224.277 57.002 19.713 1.00 135.42 ? 167 VAL B CA 1 ATOM 4103 C C . VAL B 1 172 ? 224.089 56.033 18.549 1.00 135.85 ? 167 VAL B C 1 ATOM 4104 O O . VAL B 1 172 ? 224.729 54.983 18.496 1.00 134.38 ? 167 VAL B O 1 ATOM 4105 C CB . VAL B 1 172 ? 225.782 57.250 19.937 1.00 132.80 ? 167 VAL B CB 1 ATOM 4106 C CG1 . VAL B 1 172 ? 226.435 57.756 18.656 1.00 128.81 ? 167 VAL B CG1 1 ATOM 4107 C CG2 . VAL B 1 172 ? 225.993 58.237 21.072 1.00 136.80 ? 167 VAL B CG2 1 ATOM 4108 N N . TRP B 1 173 ? 223.200 56.380 17.622 1.00 160.35 ? 168 TRP B N 1 ATOM 4109 C CA . TRP B 1 173 ? 222.887 55.491 16.508 1.00 158.67 ? 168 TRP B CA 1 ATOM 4110 C C . TRP B 1 173 ? 223.752 55.822 15.293 1.00 146.15 ? 168 TRP B C 1 ATOM 4111 O O . TRP B 1 173 ? 223.759 56.956 14.805 1.00 140.45 ? 168 TRP B O 1 ATOM 4112 C CB . TRP B 1 173 ? 221.392 55.570 16.166 1.00 160.55 ? 168 TRP B CB 1 ATOM 4113 C CG . TRP B 1 173 ? 220.512 55.123 17.311 1.00 166.69 ? 168 TRP B CG 1 ATOM 4114 C CD1 . TRP B 1 173 ? 220.203 55.838 18.434 1.00 163.73 ? 168 TRP B CD1 1 ATOM 4115 C CD2 . TRP B 1 173 ? 219.842 53.859 17.446 1.00 169.85 ? 168 TRP B CD2 1 ATOM 4116 N NE1 . TRP B 1 173 ? 219.384 55.101 19.257 1.00 166.64 ? 168 TRP B NE1 1 ATOM 4117 C CE2 . TRP B 1 173 ? 219.146 53.884 18.674 1.00 169.74 ? 168 TRP B CE2 1 ATOM 4118 C CE3 . TRP B 1 173 ? 219.760 52.712 16.648 1.00 166.62 ? 168 TRP B CE3 1 ATOM 4119 C CZ2 . TRP B 1 173 ? 218.381 52.806 19.121 1.00 170.43 ? 168 TRP B CZ2 1 ATOM 4120 C CZ3 . TRP B 1 173 ? 219.000 51.641 17.097 1.00 166.05 ? 168 TRP B CZ3 1 ATOM 4121 C CH2 . TRP B 1 173 ? 218.321 51.697 18.321 1.00 166.11 ? 168 TRP B CH2 1 ATOM 4122 N N . LEU B 1 174 ? 224.498 54.828 14.820 1.00 133.67 ? 169 LEU B N 1 ATOM 4123 C CA . LEU B 1 174 ? 225.428 55.046 13.720 1.00 124.53 ? 169 LEU B CA 1 ATOM 4124 C C . LEU B 1 174 ? 225.151 54.118 12.548 1.00 123.75 ? 169 LEU B C 1 ATOM 4125 O O . LEU B 1 174 ? 224.471 53.101 12.687 1.00 134.92 ? 169 LEU B O 1 ATOM 4126 C CB . LEU B 1 174 ? 226.872 54.860 14.189 1.00 115.62 ? 169 LEU B CB 1 ATOM 4127 C CG . LEU B 1 174 ? 227.290 55.604 15.458 1.00 121.60 ? 169 LEU B CG 1 ATOM 4128 C CD1 . LEU B 1 174 ? 227.235 54.676 16.658 1.00 138.62 ? 169 LEU B CD1 1 ATOM 4129 C CD2 . LEU B 1 174 ? 228.679 56.206 15.305 1.00 113.78 ? 169 LEU B CD2 1 ATOM 4130 N N . LYS B 1 175 ? 225.688 54.481 11.390 1.00 100.74 ? 170 LYS B N 1 ATOM 4131 C CA . LYS B 1 175 ? 225.565 53.669 10.193 1.00 102.49 ? 170 LYS B CA 1 ATOM 4132 C C . LYS B 1 175 ? 226.907 53.628 9.484 1.00 94.77 ? 170 LYS B C 1 ATOM 4133 O O . LYS B 1 175 ? 227.736 54.521 9.660 1.00 89.87 ? 170 LYS B O 1 ATOM 4134 C CB . LYS B 1 175 ? 224.482 54.220 9.262 1.00 105.48 ? 170 LYS B CB 1 ATOM 4135 C CG . LYS B 1 175 ? 224.821 55.573 8.649 1.00 102.84 ? 170 LYS B CG 1 ATOM 4136 C CD . LYS B 1 175 ? 223.679 56.114 7.798 1.00 109.45 ? 170 LYS B CD 1 ATOM 4137 C CE . LYS B 1 175 ? 223.399 55.222 6.598 1.00 116.13 ? 170 LYS B CE 1 ATOM 4138 N NZ . LYS B 1 175 ? 222.308 55.770 5.744 1.00 119.69 ? 170 LYS B NZ 1 ATOM 4139 N N . VAL B 1 176 ? 227.128 52.585 8.694 1.00 106.14 ? 171 VAL B N 1 ATOM 4140 C CA . VAL B 1 176 ? 228.331 52.503 7.883 1.00 95.96 ? 171 VAL B CA 1 ATOM 4141 C C . VAL B 1 176 ? 228.150 53.348 6.628 1.00 94.43 ? 171 VAL B C 1 ATOM 4142 O O . VAL B 1 176 ? 227.181 53.171 5.889 1.00 102.51 ? 171 VAL B O 1 ATOM 4143 C CB . VAL B 1 176 ? 228.662 51.052 7.499 1.00 98.04 ? 171 VAL B CB 1 ATOM 4144 C CG1 . VAL B 1 176 ? 229.768 51.018 6.458 1.00 105.21 ? 171 VAL B CG1 1 ATOM 4145 C CG2 . VAL B 1 176 ? 229.058 50.255 8.735 1.00 101.02 ? 171 VAL B CG2 1 ATOM 4146 N N . ARG B 1 177 ? 229.080 54.273 6.409 1.00 90.22 ? 172 ARG B N 1 ATOM 4147 C CA . ARG B 1 177 ? 229.031 55.200 5.279 1.00 89.78 ? 172 ARG B CA 1 ATOM 4148 C C . ARG B 1 177 ? 228.826 54.521 3.931 1.00 90.68 ? 172 ARG B C 1 ATOM 4149 O O . ARG B 1 177 ? 229.174 53.356 3.748 1.00 99.72 ? 172 ARG B O 1 ATOM 4150 C CB . ARG B 1 177 ? 230.319 56.021 5.217 1.00 98.68 ? 172 ARG B CB 1 ATOM 4151 C CG . ARG B 1 177 ? 230.396 57.164 6.204 1.00 88.50 ? 172 ARG B CG 1 ATOM 4152 C CD . ARG B 1 177 ? 231.694 57.927 6.014 1.00 85.92 ? 172 ARG B CD 1 ATOM 4153 N NE . ARG B 1 177 ? 231.598 59.302 6.490 1.00 76.93 ? 172 ARG B NE 1 ATOM 4154 C CZ . ARG B 1 177 ? 231.140 60.312 5.757 1.00 83.42 ? 172 ARG B CZ 1 ATOM 4155 N NH1 . ARG B 1 177 ? 230.727 60.099 4.513 1.00 85.46 ? 172 ARG B NH1 1 ATOM 4156 N NH2 . ARG B 1 177 ? 231.090 61.534 6.268 1.00 79.51 ? 172 ARG B NH2 1 ATOM 4157 N N . GLU B 1 178 ? 228.262 55.268 2.989 1.00 114.58 ? 173 GLU B N 1 ATOM 4158 C CA . GLU B 1 178 ? 228.118 54.791 1.621 1.00 122.65 ? 173 GLU B CA 1 ATOM 4159 C C . GLU B 1 178 ? 229.301 55.263 0.784 1.00 121.07 ? 173 GLU B C 1 ATOM 4160 O O . GLU B 1 178 ? 229.704 54.600 -0.171 1.00 127.47 ? 173 GLU B O 1 ATOM 4161 C CB . GLU B 1 178 ? 226.800 55.271 1.004 1.00 123.04 ? 173 GLU B CB 1 ATOM 4162 C CG . GLU B 1 178 ? 226.658 56.785 0.880 1.00 129.07 ? 173 GLU B CG 1 ATOM 4163 C CD . GLU B 1 178 ? 226.038 57.425 2.109 1.00 137.32 ? 173 GLU B CD 1 ATOM 4164 O OE1 . GLU B 1 178 ? 226.714 57.496 3.157 1.00 134.31 ? 173 GLU B OE1 1 ATOM 4165 O OE2 . GLU B 1 178 ? 224.870 57.860 2.023 1.00 146.58 ? 173 GLU B OE2 1 ATOM 4166 N N . ASP B 1 179 ? 229.872 56.379 1.218 1.00 110.45 ? 174 ASP B N 1 ATOM 4167 C CA . ASP B 1 179 ? 230.944 57.088 0.544 1.00 112.84 ? 174 ASP B CA 1 ATOM 4168 C C . ASP B 1 179 ? 232.165 57.192 1.434 1.00 110.10 ? 174 ASP B C 1 ATOM 4169 O O . ASP B 1 179 ? 232.026 57.197 2.643 1.00 103.29 ? 174 ASP B O 1 ATOM 4170 C CB . ASP B 1 179 ? 230.472 58.507 0.359 1.00 112.06 ? 174 ASP B CB 1 ATOM 4171 C CG . ASP B 1 179 ? 230.030 59.129 1.667 1.00 112.48 ? 174 ASP B CG 1 ATOM 4172 O OD1 . ASP B 1 179 ? 229.760 58.370 2.607 1.00 112.00 ? 174 ASP B OD1 1 ATOM 4173 O OD2 . ASP B 1 179 ? 229.956 60.366 1.773 1.00 112.56 ? 174 ASP B OD2 1 ATOM 4174 N N . TYR B 1 180 ? 233.356 57.308 0.848 1.00 136.90 ? 175 TYR B N 1 ATOM 4175 C CA . TYR B 1 180 ? 234.536 57.670 1.617 1.00 137.60 ? 175 TYR B CA 1 ATOM 4176 C C . TYR B 1 180 ? 234.686 59.186 1.667 1.00 131.38 ? 175 TYR B C 1 ATOM 4177 O O . TYR B 1 180 ? 234.395 59.876 0.690 1.00 126.38 ? 175 TYR B O 1 ATOM 4178 C CB . TYR B 1 180 ? 235.793 57.019 1.025 1.00 140.21 ? 175 TYR B CB 1 ATOM 4179 C CG . TYR B 1 180 ? 236.155 57.440 -0.384 1.00 149.43 ? 175 TYR B CG 1 ATOM 4180 C CD1 . TYR B 1 180 ? 236.982 58.534 -0.614 1.00 145.04 ? 175 TYR B CD1 1 ATOM 4181 C CD2 . TYR B 1 180 ? 235.694 56.724 -1.485 1.00 158.06 ? 175 TYR B CD2 1 ATOM 4182 C CE1 . TYR B 1 180 ? 237.324 58.917 -1.902 1.00 158.74 ? 175 TYR B CE1 1 ATOM 4183 C CE2 . TYR B 1 180 ? 236.030 57.099 -2.779 1.00 159.82 ? 175 TYR B CE2 1 ATOM 4184 C CZ . TYR B 1 180 ? 236.846 58.196 -2.981 1.00 164.16 ? 175 TYR B CZ 1 ATOM 4185 O OH . TYR B 1 180 ? 237.186 58.572 -4.264 1.00 157.45 ? 175 TYR B OH 1 ATOM 4186 N N . SER B 1 181 ? 235.129 59.701 2.810 1.00 91.57 ? 176 SER B N 1 ATOM 4187 C CA . SER B 1 181 ? 235.334 61.136 2.958 1.00 77.45 ? 176 SER B CA 1 ATOM 4188 C C . SER B 1 181 ? 236.327 61.457 4.070 1.00 75.74 ? 176 SER B C 1 ATOM 4189 O O . SER B 1 181 ? 236.702 60.588 4.859 1.00 76.24 ? 176 SER B O 1 ATOM 4190 C CB . SER B 1 181 ? 234.005 61.843 3.231 1.00 86.39 ? 176 SER B CB 1 ATOM 4191 O OG . SER B 1 181 ? 233.646 61.745 4.598 1.00 79.58 ? 176 SER B OG 1 ATOM 4192 N N . LEU B 1 182 ? 236.741 62.720 4.121 1.00 81.75 ? 177 LEU B N 1 ATOM 4193 C CA . LEU B 1 182 ? 237.739 63.185 5.079 1.00 70.43 ? 177 LEU B CA 1 ATOM 4194 C C . LEU B 1 182 ? 237.115 64.082 6.144 1.00 68.46 ? 177 LEU B C 1 ATOM 4195 O O . LEU B 1 182 ? 237.793 64.538 7.064 1.00 64.83 ? 177 LEU B O 1 ATOM 4196 C CB . LEU B 1 182 ? 238.854 63.945 4.356 1.00 69.53 ? 177 LEU B CB 1 ATOM 4197 C CG . LEU B 1 182 ? 240.052 63.191 3.772 1.00 65.16 ? 177 LEU B CG 1 ATOM 4198 C CD1 . LEU B 1 182 ? 239.652 61.873 3.135 1.00 72.27 ? 177 LEU B CD1 1 ATOM 4199 C CD2 . LEU B 1 182 ? 240.750 64.075 2.756 1.00 59.71 ? 177 LEU B CD2 1 ATOM 4200 N N . GLU B 1 183 ? 235.818 64.330 6.008 1.00 67.85 ? 178 GLU B N 1 ATOM 4201 C CA . GLU B 1 183 ? 235.109 65.255 6.883 1.00 61.35 ? 178 GLU B CA 1 ATOM 4202 C C . GLU B 1 183 ? 234.783 64.634 8.240 1.00 67.85 ? 178 GLU B C 1 ATOM 4203 O O . GLU B 1 183 ? 234.358 63.480 8.321 1.00 71.80 ? 178 GLU B O 1 ATOM 4204 C CB . GLU B 1 183 ? 233.823 65.733 6.198 1.00 74.05 ? 178 GLU B CB 1 ATOM 4205 C CG . GLU B 1 183 ? 232.922 66.599 7.063 1.00 75.53 ? 178 GLU B CG 1 ATOM 4206 C CD . GLU B 1 183 ? 231.667 67.041 6.335 1.00 77.30 ? 178 GLU B CD 1 ATOM 4207 O OE1 . GLU B 1 183 ? 230.624 67.229 6.998 1.00 83.31 ? 178 GLU B OE1 1 ATOM 4208 O OE2 . GLU B 1 183 ? 231.727 67.203 5.098 1.00 74.38 ? 178 GLU B OE2 1 ATOM 4209 N N . CYS B 1 184 ? 234.995 65.403 9.304 1.00 62.73 ? 179 CYS B N 1 ATOM 4210 C CA . CYS B 1 184 ? 234.570 64.995 10.637 1.00 60.62 ? 179 CYS B CA 1 ATOM 4211 C C . CYS B 1 184 ? 233.049 64.970 10.690 1.00 69.35 ? 179 CYS B C 1 ATOM 4212 O O . CYS B 1 184 ? 232.398 65.815 10.077 1.00 67.04 ? 179 CYS B O 1 ATOM 4213 C CB . CYS B 1 184 ? 235.120 65.944 11.702 1.00 65.41 ? 179 CYS B CB 1 ATOM 4214 S SG . CYS B 1 184 ? 236.908 66.194 11.651 1.00 65.99 ? 179 CYS B SG 1 ATOM 4215 N N . ASP B 1 185 ? 232.488 64.006 11.416 1.00 71.47 ? 180 ASP B N 1 ATOM 4216 C CA . ASP B 1 185 ? 231.036 63.891 11.550 1.00 74.34 ? 180 ASP B CA 1 ATOM 4217 C C . ASP B 1 185 ? 230.444 65.195 12.080 1.00 72.64 ? 180 ASP B C 1 ATOM 4218 O O . ASP B 1 185 ? 230.713 65.591 13.213 1.00 77.78 ? 180 ASP B O 1 ATOM 4219 C CB . ASP B 1 185 ? 230.671 62.725 12.474 1.00 77.93 ? 180 ASP B CB 1 ATOM 4220 C CG . ASP B 1 185 ? 229.238 62.253 12.289 1.00 84.36 ? 180 ASP B CG 1 ATOM 4221 O OD1 . ASP B 1 185 ? 228.369 63.081 11.939 1.00 77.97 ? 180 ASP B OD1 1 ATOM 4222 O OD2 . ASP B 1 185 ? 228.982 61.046 12.492 1.00 95.11 ? 180 ASP B OD2 1 ATOM 4223 N N . PRO B 1 186 ? 229.641 65.874 11.248 1.00 60.05 ? 181 PRO B N 1 ATOM 4224 C CA . PRO B 1 186 ? 229.073 67.175 11.616 1.00 59.05 ? 181 PRO B CA 1 ATOM 4225 C C . PRO B 1 186 ? 227.913 67.070 12.606 1.00 64.98 ? 181 PRO B C 1 ATOM 4226 O O . PRO B 1 186 ? 227.420 68.096 13.074 1.00 62.42 ? 181 PRO B O 1 ATOM 4227 C CB . PRO B 1 186 ? 228.594 67.732 10.274 1.00 56.36 ? 181 PRO B CB 1 ATOM 4228 C CG . PRO B 1 186 ? 228.285 66.528 9.463 1.00 49.97 ? 181 PRO B CG 1 ATOM 4229 C CD . PRO B 1 186 ? 229.276 65.478 9.877 1.00 61.19 ? 181 PRO B CD 1 ATOM 4230 N N . ALA B 1 187 ? 227.488 65.849 12.920 1.00 69.02 ? 182 ALA B N 1 ATOM 4231 C CA . ALA B 1 187 ? 226.373 65.646 13.837 1.00 70.79 ? 182 ALA B CA 1 ATOM 4232 C C . ALA B 1 187 ? 226.703 66.120 15.250 1.00 74.60 ? 182 ALA B C 1 ATOM 4233 O O . ALA B 1 187 ? 225.840 66.644 15.954 1.00 81.20 ? 182 ALA B O 1 ATOM 4234 C CB . ALA B 1 187 ? 225.968 64.184 13.860 1.00 75.60 ? 182 ALA B CB 1 ATOM 4235 N N . VAL B 1 188 ? 227.955 65.937 15.659 1.00 60.28 ? 183 VAL B N 1 ATOM 4236 C CA . VAL B 1 188 ? 228.357 66.251 17.026 1.00 65.14 ? 183 VAL B CA 1 ATOM 4237 C C . VAL B 1 188 ? 229.151 67.547 17.130 1.00 67.63 ? 183 VAL B C 1 ATOM 4238 O O . VAL B 1 188 ? 229.781 67.817 18.152 1.00 70.12 ? 183 VAL B O 1 ATOM 4239 C CB . VAL B 1 188 ? 229.198 65.112 17.629 1.00 70.43 ? 183 VAL B CB 1 ATOM 4240 C CG1 . VAL B 1 188 ? 228.339 63.880 17.844 1.00 83.54 ? 183 VAL B CG1 1 ATOM 4241 C CG2 . VAL B 1 188 ? 230.385 64.799 16.731 1.00 59.95 ? 183 VAL B CG2 1 ATOM 4242 N N . ILE B 1 189 ? 229.117 68.350 16.075 1.00 68.96 ? 184 ILE B N 1 ATOM 4243 C CA . ILE B 1 189 ? 229.847 69.609 16.072 1.00 60.70 ? 184 ILE B CA 1 ATOM 4244 C C . ILE B 1 189 ? 228.954 70.771 16.496 1.00 59.68 ? 184 ILE B C 1 ATOM 4245 O O . ILE B 1 189 ? 227.817 70.890 16.042 1.00 67.78 ? 184 ILE B O 1 ATOM 4246 C CB . ILE B 1 189 ? 230.448 69.910 14.685 1.00 60.76 ? 184 ILE B CB 1 ATOM 4247 C CG1 . ILE B 1 189 ? 231.454 68.828 14.298 1.00 57.49 ? 184 ILE B CG1 1 ATOM 4248 C CG2 . ILE B 1 189 ? 231.122 71.266 14.680 1.00 61.36 ? 184 ILE B CG2 1 ATOM 4249 C CD1 . ILE B 1 189 ? 232.249 69.160 13.055 1.00 54.67 ? 184 ILE B CD1 1 ATOM 4250 N N . GLY B 1 190 ? 229.477 71.619 17.377 1.00 47.67 ? 185 GLY B N 1 ATOM 4251 C CA . GLY B 1 190 ? 228.785 72.817 17.809 1.00 49.03 ? 185 GLY B CA 1 ATOM 4252 C C . GLY B 1 190 ? 229.702 74.024 17.775 1.00 56.74 ? 185 GLY B C 1 ATOM 4253 O O . GLY B 1 190 ? 230.746 74.042 18.432 1.00 54.96 ? 185 GLY B O 1 ATOM 4254 N N . THR B 1 191 ? 229.309 75.031 16.999 1.00 55.90 ? 186 THR B N 1 ATOM 4255 C CA . THR B 1 191 ? 230.092 76.253 16.829 1.00 49.05 ? 186 THR B CA 1 ATOM 4256 C C . THR B 1 191 ? 229.207 77.462 17.102 1.00 50.25 ? 186 THR B C 1 ATOM 4257 O O . THR B 1 191 ? 228.066 77.494 16.655 1.00 58.02 ? 186 THR B O 1 ATOM 4258 C CB . THR B 1 191 ? 230.680 76.353 15.403 1.00 49.35 ? 186 THR B CB 1 ATOM 4259 O OG1 . THR B 1 191 ? 231.517 75.221 15.144 1.00 45.91 ? 186 THR B OG1 1 ATOM 4260 C CG2 . THR B 1 191 ? 231.490 77.627 15.234 1.00 41.79 ? 186 THR B CG2 1 ATOM 4261 N N . ALA B 1 192 ? 229.717 78.455 17.826 1.00 54.02 ? 187 ALA B N 1 ATOM 4262 C CA . ALA B 1 192 ? 228.884 79.600 18.195 1.00 50.20 ? 187 ALA B CA 1 ATOM 4263 C C . ALA B 1 192 ? 229.656 80.909 18.366 1.00 55.10 ? 187 ALA B C 1 ATOM 4264 O O . ALA B 1 192 ? 230.851 80.908 18.661 1.00 62.49 ? 187 ALA B O 1 ATOM 4265 C CB . ALA B 1 192 ? 228.117 79.286 19.468 1.00 50.23 ? 187 ALA B CB 1 ATOM 4266 N N . VAL B 1 193 ? 228.951 82.024 18.173 1.00 56.30 ? 188 VAL B N 1 ATOM 4267 C CA . VAL B 1 193 ? 229.504 83.362 18.374 1.00 54.80 ? 188 VAL B CA 1 ATOM 4268 C C . VAL B 1 193 ? 228.586 84.239 19.215 1.00 63.34 ? 188 VAL B C 1 ATOM 4269 O O . VAL B 1 193 ? 227.370 84.217 19.050 1.00 66.18 ? 188 VAL B O 1 ATOM 4270 C CB . VAL B 1 193 ? 229.739 84.106 17.045 1.00 58.96 ? 188 VAL B CB 1 ATOM 4271 C CG1 . VAL B 1 193 ? 231.088 84.806 17.055 1.00 59.17 ? 188 VAL B CG1 1 ATOM 4272 C CG2 . VAL B 1 193 ? 229.614 83.169 15.874 1.00 57.27 ? 188 VAL B CG2 1 ATOM 4273 N N . LYS B 1 194 ? 229.174 85.085 20.030 1.00 58.44 ? 189 LYS B N 1 ATOM 4274 C CA . LYS B 1 194 ? 228.425 86.075 20.738 1.00 50.49 ? 189 LYS B CA 1 ATOM 4275 C C . LYS B 1 194 ? 229.351 87.204 21.067 1.00 53.04 ? 189 LYS B C 1 ATOM 4276 O O . LYS B 1 194 ? 230.262 87.044 21.813 1.00 60.95 ? 189 LYS B O 1 ATOM 4277 C CB . LYS B 1 194 ? 227.885 85.472 22.006 1.00 57.81 ? 189 LYS B CB 1 ATOM 4278 C CG . LYS B 1 194 ? 226.397 85.247 22.014 1.00 54.28 ? 189 LYS B CG 1 ATOM 4279 C CD . LYS B 1 194 ? 226.030 84.169 23.009 1.00 60.02 ? 189 LYS B CD 1 ATOM 4280 C CE . LYS B 1 194 ? 226.028 84.670 24.441 1.00 66.52 ? 189 LYS B CE 1 ATOM 4281 N NZ . LYS B 1 194 ? 224.683 85.081 24.914 1.00 65.06 ? 189 LYS B NZ 1 ATOM 4282 N N . GLY B 1 195 ? 229.102 88.353 20.492 1.00 49.87 ? 190 GLY B N 1 ATOM 4283 C CA . GLY B 1 195 ? 229.926 89.541 20.610 1.00 54.97 ? 190 GLY B CA 1 ATOM 4284 C C . GLY B 1 195 ? 231.384 89.288 20.279 1.00 59.87 ? 190 GLY B C 1 ATOM 4285 O O . GLY B 1 195 ? 231.724 88.923 19.154 1.00 55.88 ? 190 GLY B O 1 ATOM 4286 N N . LYS B 1 196 ? 232.246 89.466 21.275 1.00 56.21 ? 191 LYS B N 1 ATOM 4287 C CA . LYS B 1 196 ? 233.682 89.315 21.087 1.00 51.12 ? 191 LYS B CA 1 ATOM 4288 C C . LYS B 1 196 ? 234.197 87.952 21.537 1.00 56.67 ? 191 LYS B C 1 ATOM 4289 O O . LYS B 1 196 ? 235.387 87.799 21.807 1.00 64.24 ? 191 LYS B O 1 ATOM 4290 C CB . LYS B 1 196 ? 234.434 90.413 21.842 1.00 56.75 ? 191 LYS B CB 1 ATOM 4291 C CG . LYS B 1 196 ? 234.166 91.825 21.347 1.00 65.15 ? 191 LYS B CG 1 ATOM 4292 C CD . LYS B 1 196 ? 235.033 92.829 22.094 1.00 69.11 ? 191 LYS B CD 1 ATOM 4293 C CE . LYS B 1 196 ? 234.846 94.238 21.558 1.00 76.30 ? 191 LYS B CE 1 ATOM 4294 N NZ . LYS B 1 196 ? 235.720 95.214 22.264 1.00 83.44 ? 191 LYS B NZ 1 ATOM 4295 N N . GLU B 1 197 ? 233.313 86.962 21.624 1.00 61.54 ? 192 GLU B N 1 ATOM 4296 C CA . GLU B 1 197 ? 233.739 85.623 22.024 1.00 62.28 ? 192 GLU B CA 1 ATOM 4297 C C . GLU B 1 197 ? 233.113 84.562 21.122 1.00 61.02 ? 192 GLU B C 1 ATOM 4298 O O . GLU B 1 197 ? 231.988 84.718 20.655 1.00 65.32 ? 192 GLU B O 1 ATOM 4299 C CB . GLU B 1 197 ? 233.386 85.363 23.494 1.00 65.51 ? 192 GLU B CB 1 ATOM 4300 C CG . GLU B 1 197 ? 232.187 84.450 23.707 1.00 79.94 ? 192 GLU B CG 1 ATOM 4301 C CD . GLU B 1 197 ? 231.511 84.665 25.047 1.00 92.62 ? 192 GLU B CD 1 ATOM 4302 O OE1 . GLU B 1 197 ? 230.267 84.557 25.105 1.00 86.94 ? 192 GLU B OE1 1 ATOM 4303 O OE2 . GLU B 1 197 ? 232.216 84.940 26.040 1.00 99.32 ? 192 GLU B OE2 1 ATOM 4304 N N . ALA B 1 198 ? 233.850 83.489 20.863 1.00 49.26 ? 193 ALA B N 1 ATOM 4305 C CA . ALA B 1 198 ? 233.348 82.436 19.989 1.00 48.13 ? 193 ALA B CA 1 ATOM 4306 C C . ALA B 1 198 ? 233.962 81.089 20.329 1.00 52.00 ? 193 ALA B C 1 ATOM 4307 O O . ALA B 1 198 ? 234.944 81.012 21.064 1.00 56.85 ? 193 ALA B O 1 ATOM 4308 C CB . ALA B 1 198 ? 233.618 82.780 18.537 1.00 55.25 ? 193 ALA B CB 1 ATOM 4309 N N . VAL B 1 199 ? 233.380 80.024 19.787 1.00 54.65 ? 194 VAL B N 1 ATOM 4310 C CA . VAL B 1 199 ? 233.895 78.685 20.033 1.00 54.44 ? 194 VAL B CA 1 ATOM 4311 C C . VAL B 1 199 ? 233.587 77.736 18.877 1.00 50.50 ? 194 VAL B C 1 ATOM 4312 O O . VAL B 1 199 ? 232.501 77.769 18.300 1.00 58.85 ? 194 VAL B O 1 ATOM 4313 C CB . VAL B 1 199 ? 233.325 78.096 21.351 1.00 55.68 ? 194 VAL B CB 1 ATOM 4314 C CG1 . VAL B 1 199 ? 231.810 77.991 21.289 1.00 50.45 ? 194 VAL B CG1 1 ATOM 4315 C CG2 . VAL B 1 199 ? 233.943 76.737 21.655 1.00 55.90 ? 194 VAL B CG2 1 ATOM 4316 N N . HIS B 1 200 ? 234.571 76.918 18.524 1.00 48.57 ? 195 HIS B N 1 ATOM 4317 C CA . HIS B 1 200 ? 234.353 75.760 17.668 1.00 54.59 ? 195 HIS B CA 1 ATOM 4318 C C . HIS B 1 200 ? 234.553 74.524 18.527 1.00 54.35 ? 195 HIS B C 1 ATOM 4319 O O . HIS B 1 200 ? 235.545 74.428 19.242 1.00 57.35 ? 195 HIS B O 1 ATOM 4320 C CB . HIS B 1 200 ? 235.315 75.745 16.478 1.00 52.03 ? 195 HIS B CB 1 ATOM 4321 C CG . HIS B 1 200 ? 235.067 76.832 15.482 1.00 45.20 ? 195 HIS B CG 1 ATOM 4322 N ND1 . HIS B 1 200 ? 235.203 78.169 15.788 1.00 43.63 ? 195 HIS B ND1 1 ATOM 4323 C CD2 . HIS B 1 200 ? 234.698 76.780 14.180 1.00 50.38 ? 195 HIS B CD2 1 ATOM 4324 C CE1 . HIS B 1 200 ? 234.924 78.893 14.719 1.00 47.52 ? 195 HIS B CE1 1 ATOM 4325 N NE2 . HIS B 1 200 ? 234.614 78.075 13.730 1.00 51.42 ? 195 HIS B NE2 1 ATOM 4326 N N . SER B 1 201 ? 233.624 73.579 18.475 1.00 53.39 ? 196 SER B N 1 ATOM 4327 C CA . SER B 1 201 ? 233.750 72.414 19.339 1.00 57.26 ? 196 SER B CA 1 ATOM 4328 C C . SER B 1 201 ? 233.105 71.158 18.781 1.00 59.77 ? 196 SER B C 1 ATOM 4329 O O . SER B 1 201 ? 232.269 71.216 17.885 1.00 61.06 ? 196 SER B O 1 ATOM 4330 C CB . SER B 1 201 ? 233.149 72.713 20.712 1.00 55.96 ? 196 SER B CB 1 ATOM 4331 O OG . SER B 1 201 ? 231.749 72.905 20.621 1.00 61.92 ? 196 SER B OG 1 ATOM 4332 N N . ASP B 1 202 ? 233.527 70.021 19.318 1.00 54.30 ? 197 ASP B N 1 ATOM 4333 C CA . ASP B 1 202 ? 232.845 68.755 19.111 1.00 53.27 ? 197 ASP B CA 1 ATOM 4334 C C . ASP B 1 202 ? 232.976 67.955 20.402 1.00 57.38 ? 197 ASP B C 1 ATOM 4335 O O . ASP B 1 202 ? 233.045 68.535 21.484 1.00 60.51 ? 197 ASP B O 1 ATOM 4336 C CB . ASP B 1 202 ? 233.415 67.996 17.907 1.00 55.98 ? 197 ASP B CB 1 ATOM 4337 C CG . ASP B 1 202 ? 234.861 67.584 18.099 1.00 64.18 ? 197 ASP B CG 1 ATOM 4338 O OD1 . ASP B 1 202 ? 235.757 68.411 17.832 1.00 64.06 ? 197 ASP B OD1 1 ATOM 4339 O OD2 . ASP B 1 202 ? 235.101 66.426 18.502 1.00 72.18 ? 197 ASP B OD2 1 ATOM 4340 N N . LEU B 1 203 ? 233.013 66.634 20.302 1.00 52.93 ? 198 LEU B N 1 ATOM 4341 C CA . LEU B 1 203 ? 233.123 65.810 21.496 1.00 63.89 ? 198 LEU B CA 1 ATOM 4342 C C . LEU B 1 203 ? 234.562 65.716 21.991 1.00 67.73 ? 198 LEU B C 1 ATOM 4343 O O . LEU B 1 203 ? 234.816 65.198 23.076 1.00 77.68 ? 198 LEU B O 1 ATOM 4344 C CB . LEU B 1 203 ? 232.564 64.413 21.232 1.00 70.12 ? 198 LEU B CB 1 ATOM 4345 C CG . LEU B 1 203 ? 231.061 64.375 20.956 1.00 71.19 ? 198 LEU B CG 1 ATOM 4346 C CD1 . LEU B 1 203 ? 230.604 62.958 20.673 1.00 77.32 ? 198 LEU B CD1 1 ATOM 4347 C CD2 . LEU B 1 203 ? 230.286 64.970 22.123 1.00 71.00 ? 198 LEU B CD2 1 ATOM 4348 N N . GLY B 1 204 ? 235.499 66.228 21.199 1.00 70.30 ? 199 GLY B N 1 ATOM 4349 C CA . GLY B 1 204 ? 236.907 66.145 21.542 1.00 72.43 ? 199 GLY B CA 1 ATOM 4350 C C . GLY B 1 204 ? 237.606 67.488 21.642 1.00 69.97 ? 199 GLY B C 1 ATOM 4351 O O . GLY B 1 204 ? 238.498 67.671 22.471 1.00 59.70 ? 199 GLY B O 1 ATOM 4352 N N . TYR B 1 205 ? 237.206 68.430 20.795 1.00 62.68 ? 200 TYR B N 1 ATOM 4353 C CA . TYR B 1 205 ? 237.849 69.739 20.764 1.00 59.15 ? 200 TYR B CA 1 ATOM 4354 C C . TYR B 1 205 ? 236.988 70.803 21.434 1.00 61.21 ? 200 TYR B C 1 ATOM 4355 O O . TYR B 1 205 ? 235.777 70.839 21.239 1.00 66.60 ? 200 TYR B O 1 ATOM 4356 C CB . TYR B 1 205 ? 238.145 70.171 19.324 1.00 61.52 ? 200 TYR B CB 1 ATOM 4357 C CG . TYR B 1 205 ? 239.211 69.375 18.595 1.00 64.67 ? 200 TYR B CG 1 ATOM 4358 C CD1 . TYR B 1 205 ? 239.782 68.238 19.155 1.00 63.59 ? 200 TYR B CD1 1 ATOM 4359 C CD2 . TYR B 1 205 ? 239.652 69.774 17.341 1.00 65.69 ? 200 TYR B CD2 1 ATOM 4360 C CE1 . TYR B 1 205 ? 240.754 67.521 18.479 1.00 66.07 ? 200 TYR B CE1 1 ATOM 4361 C CE2 . TYR B 1 205 ? 240.624 69.066 16.662 1.00 62.88 ? 200 TYR B CE2 1 ATOM 4362 C CZ . TYR B 1 205 ? 241.171 67.941 17.232 1.00 66.87 ? 200 TYR B CZ 1 ATOM 4363 O OH . TYR B 1 205 ? 242.139 67.239 16.550 1.00 65.44 ? 200 TYR B OH 1 ATOM 4364 N N . TRP B 1 206 ? 237.618 71.666 22.225 1.00 60.71 ? 201 TRP B N 1 ATOM 4365 C CA . TRP B 1 206 ? 236.951 72.869 22.712 1.00 54.06 ? 201 TRP B CA 1 ATOM 4366 C C . TRP B 1 206 ? 237.827 74.075 22.409 1.00 56.68 ? 201 TRP B C 1 ATOM 4367 O O . TRP B 1 206 ? 238.728 74.412 23.171 1.00 63.75 ? 201 TRP B O 1 ATOM 4368 C CB . TRP B 1 206 ? 236.652 72.780 24.208 1.00 55.38 ? 201 TRP B CB 1 ATOM 4369 C CG . TRP B 1 206 ? 235.973 74.008 24.739 1.00 53.83 ? 201 TRP B CG 1 ATOM 4370 C CD1 . TRP B 1 206 ? 236.547 75.019 25.454 1.00 59.73 ? 201 TRP B CD1 1 ATOM 4371 C CD2 . TRP B 1 206 ? 234.593 74.364 24.581 1.00 56.48 ? 201 TRP B CD2 1 ATOM 4372 N NE1 . TRP B 1 206 ? 235.610 75.976 25.758 1.00 53.00 ? 201 TRP B NE1 1 ATOM 4373 C CE2 . TRP B 1 206 ? 234.402 75.599 25.232 1.00 49.00 ? 201 TRP B CE2 1 ATOM 4374 C CE3 . TRP B 1 206 ? 233.500 73.756 23.957 1.00 60.99 ? 201 TRP B CE3 1 ATOM 4375 C CZ2 . TRP B 1 206 ? 233.164 76.237 25.276 1.00 49.57 ? 201 TRP B CZ2 1 ATOM 4376 C CZ3 . TRP B 1 206 ? 232.271 74.392 24.000 1.00 57.95 ? 201 TRP B CZ3 1 ATOM 4377 C CH2 . TRP B 1 206 ? 232.114 75.620 24.657 1.00 54.49 ? 201 TRP B CH2 1 ATOM 4378 N N . ILE B 1 207 ? 237.546 74.725 21.288 1.00 52.87 ? 202 ILE B N 1 ATOM 4379 C CA . ILE B 1 207 ? 238.423 75.751 20.747 1.00 50.88 ? 202 ILE B CA 1 ATOM 4380 C C . ILE B 1 207 ? 237.821 77.149 20.854 1.00 51.27 ? 202 ILE B C 1 ATOM 4381 O O . ILE B 1 207 ? 236.944 77.519 20.075 1.00 58.33 ? 202 ILE B O 1 ATOM 4382 C CB . ILE B 1 207 ? 238.751 75.448 19.278 1.00 49.54 ? 202 ILE B CB 1 ATOM 4383 C CG1 . ILE B 1 207 ? 239.132 73.973 19.124 1.00 47.00 ? 202 ILE B CG1 1 ATOM 4384 C CG2 . ILE B 1 207 ? 239.860 76.350 18.780 1.00 50.27 ? 202 ILE B CG2 1 ATOM 4385 C CD1 . ILE B 1 207 ? 239.474 73.573 17.709 1.00 53.24 ? 202 ILE B CD1 1 ATOM 4386 N N . GLU B 1 208 ? 238.309 77.923 21.819 1.00 51.18 ? 203 GLU B N 1 ATOM 4387 C CA . GLU B 1 208 ? 237.798 79.266 22.072 1.00 48.78 ? 203 GLU B CA 1 ATOM 4388 C C . GLU B 1 208 ? 238.538 80.333 21.271 1.00 56.49 ? 203 GLU B C 1 ATOM 4389 O O . GLU B 1 208 ? 239.745 80.230 21.052 1.00 47.97 ? 203 GLU B O 1 ATOM 4390 C CB . GLU B 1 208 ? 237.893 79.601 23.562 1.00 50.00 ? 203 GLU B CB 1 ATOM 4391 C CG . GLU B 1 208 ? 237.207 78.607 24.478 1.00 53.46 ? 203 GLU B CG 1 ATOM 4392 C CD . GLU B 1 208 ? 237.206 79.061 25.925 1.00 64.78 ? 203 GLU B CD 1 ATOM 4393 O OE1 . GLU B 1 208 ? 236.517 78.426 26.750 1.00 73.82 ? 203 GLU B OE1 1 ATOM 4394 O OE2 . GLU B 1 208 ? 237.894 80.056 26.238 1.00 65.35 ? 203 GLU B OE2 1 ATOM 4395 N N . SER B 1 209 ? 237.808 81.362 20.850 1.00 62.42 ? 204 SER B N 1 ATOM 4396 C CA . SER B 1 209 ? 238.394 82.495 20.141 1.00 56.44 ? 204 SER B CA 1 ATOM 4397 C C . SER B 1 209 ? 237.835 83.817 20.669 1.00 61.09 ? 204 SER B C 1 ATOM 4398 O O . SER B 1 209 ? 236.719 83.862 21.187 1.00 70.91 ? 204 SER B O 1 ATOM 4399 C CB . SER B 1 209 ? 238.146 82.376 18.636 1.00 60.31 ? 204 SER B CB 1 ATOM 4400 O OG . SER B 1 209 ? 236.767 82.222 18.356 1.00 60.82 ? 204 SER B OG 1 ATOM 4401 N N . GLU B 1 210 ? 238.614 84.887 20.531 1.00 57.45 ? 205 GLU B N 1 ATOM 4402 C CA . GLU B 1 210 ? 238.241 86.191 21.076 1.00 52.11 ? 205 GLU B CA 1 ATOM 4403 C C . GLU B 1 210 ? 238.545 87.334 20.106 1.00 62.33 ? 205 GLU B C 1 ATOM 4404 O O . GLU B 1 210 ? 239.157 87.127 19.060 1.00 59.44 ? 205 GLU B O 1 ATOM 4405 C CB . GLU B 1 210 ? 238.965 86.436 22.404 1.00 57.58 ? 205 GLU B CB 1 ATOM 4406 C CG . GLU B 1 210 ? 240.487 86.430 22.288 1.00 59.62 ? 205 GLU B CG 1 ATOM 4407 C CD . GLU B 1 210 ? 241.188 86.728 23.604 1.00 67.03 ? 205 GLU B CD 1 ATOM 4408 O OE1 . GLU B 1 210 ? 242.436 86.743 23.619 1.00 68.79 ? 205 GLU B OE1 1 ATOM 4409 O OE2 . GLU B 1 210 ? 240.495 86.947 24.620 1.00 69.37 ? 205 GLU B OE2 1 ATOM 4410 N N . LYS B 1 211 ? 238.119 88.541 20.470 1.00 62.12 ? 206 LYS B N 1 ATOM 4411 C CA . LYS B 1 211 ? 238.319 89.720 19.633 1.00 60.80 ? 206 LYS B CA 1 ATOM 4412 C C . LYS B 1 211 ? 239.158 90.783 20.347 1.00 65.94 ? 206 LYS B C 1 ATOM 4413 O O . LYS B 1 211 ? 238.661 91.511 21.207 1.00 69.96 ? 206 LYS B O 1 ATOM 4414 C CB . LYS B 1 211 ? 236.968 90.304 19.212 1.00 64.04 ? 206 LYS B CB 1 ATOM 4415 C CG . LYS B 1 211 ? 237.049 91.565 18.358 1.00 60.58 ? 206 LYS B CG 1 ATOM 4416 C CD . LYS B 1 211 ? 237.900 91.351 17.117 1.00 58.19 ? 206 LYS B CD 1 ATOM 4417 C CE . LYS B 1 211 ? 237.558 92.360 16.033 1.00 70.65 ? 206 LYS B CE 1 ATOM 4418 N NZ . LYS B 1 211 ? 237.569 93.761 16.535 1.00 70.10 ? 206 LYS B NZ 1 ATOM 4419 N N . ASN B 1 212 ? 240.431 90.861 19.973 1.00 66.78 ? 207 ASN B N 1 ATOM 4420 C CA . ASN B 1 212 ? 241.382 91.803 20.555 1.00 72.49 ? 207 ASN B CA 1 ATOM 4421 C C . ASN B 1 212 ? 242.265 92.354 19.442 1.00 80.71 ? 207 ASN B C 1 ATOM 4422 O O . ASN B 1 212 ? 243.264 91.729 19.077 1.00 91.71 ? 207 ASN B O 1 ATOM 4423 C CB . ASN B 1 212 ? 242.225 91.113 21.630 1.00 74.68 ? 207 ASN B CB 1 ATOM 4424 C CG . ASN B 1 212 ? 242.847 92.085 22.620 1.00 89.62 ? 207 ASN B CG 1 ATOM 4425 O OD1 . ASN B 1 212 ? 243.247 93.194 22.266 1.00 89.26 ? 207 ASN B OD1 1 ATOM 4426 N ND2 . ASN B 1 212 ? 242.933 91.655 23.879 1.00 98.39 ? 207 ASN B ND2 1 ATOM 4427 N N . ASP B 1 213 ? 241.878 93.513 18.910 1.00 79.52 ? 208 ASP B N 1 ATOM 4428 C CA . ASP B 1 213 ? 242.412 94.065 17.658 1.00 87.01 ? 208 ASP B CA 1 ATOM 4429 C C . ASP B 1 213 ? 241.977 93.202 16.473 1.00 79.42 ? 208 ASP B C 1 ATOM 4430 O O . ASP B 1 213 ? 241.311 93.685 15.559 1.00 79.13 ? 208 ASP B O 1 ATOM 4431 C CB . ASP B 1 213 ? 243.940 94.198 17.692 1.00 85.45 ? 208 ASP B CB 1 ATOM 4432 C CG . ASP B 1 213 ? 244.416 95.194 18.731 1.00 101.70 ? 208 ASP B CG 1 ATOM 4433 O OD1 . ASP B 1 213 ? 245.560 95.048 19.214 1.00 110.66 ? 208 ASP B OD1 1 ATOM 4434 O OD2 . ASP B 1 213 ? 243.648 96.122 19.066 1.00 89.20 ? 208 ASP B OD2 1 ATOM 4435 N N . THR B 1 214 ? 242.355 91.928 16.491 1.00 63.95 ? 209 THR B N 1 ATOM 4436 C CA . THR B 1 214 ? 241.879 90.974 15.495 1.00 68.80 ? 209 THR B CA 1 ATOM 4437 C C . THR B 1 214 ? 241.184 89.804 16.179 1.00 59.23 ? 209 THR B C 1 ATOM 4438 O O . THR B 1 214 ? 241.395 89.560 17.365 1.00 62.98 ? 209 THR B O 1 ATOM 4439 C CB . THR B 1 214 ? 243.027 90.421 14.621 1.00 62.81 ? 209 THR B CB 1 ATOM 4440 O OG1 . THR B 1 214 ? 243.710 89.376 15.326 1.00 63.49 ? 209 THR B OG1 1 ATOM 4441 C CG2 . THR B 1 214 ? 244.012 91.516 14.258 1.00 58.08 ? 209 THR B CG2 1 ATOM 4442 N N . TRP B 1 215 ? 240.351 89.085 15.437 1.00 55.21 ? 210 TRP B N 1 ATOM 4443 C CA . TRP B 1 215 ? 239.850 87.809 15.923 1.00 51.30 ? 210 TRP B CA 1 ATOM 4444 C C . TRP B 1 215 ? 241.025 86.847 15.982 1.00 58.03 ? 210 TRP B C 1 ATOM 4445 O O . TRP B 1 215 ? 241.879 86.850 15.095 1.00 58.81 ? 210 TRP B O 1 ATOM 4446 C CB . TRP B 1 215 ? 238.736 87.263 15.029 1.00 45.41 ? 210 TRP B CB 1 ATOM 4447 C CG . TRP B 1 215 ? 237.380 87.786 15.385 1.00 54.46 ? 210 TRP B CG 1 ATOM 4448 C CD1 . TRP B 1 215 ? 236.716 88.819 14.791 1.00 47.63 ? 210 TRP B CD1 1 ATOM 4449 C CD2 . TRP B 1 215 ? 236.523 87.305 16.428 1.00 51.36 ? 210 TRP B CD2 1 ATOM 4450 N NE1 . TRP B 1 215 ? 235.496 89.008 15.396 1.00 50.43 ? 210 TRP B NE1 1 ATOM 4451 C CE2 . TRP B 1 215 ? 235.355 88.091 16.405 1.00 54.48 ? 210 TRP B CE2 1 ATOM 4452 C CE3 . TRP B 1 215 ? 236.630 86.286 17.379 1.00 54.33 ? 210 TRP B CE3 1 ATOM 4453 C CZ2 . TRP B 1 215 ? 234.301 87.889 17.294 1.00 54.83 ? 210 TRP B CZ2 1 ATOM 4454 C CZ3 . TRP B 1 215 ? 235.584 86.087 18.261 1.00 54.33 ? 210 TRP B CZ3 1 ATOM 4455 C CH2 . TRP B 1 215 ? 234.436 86.884 18.212 1.00 58.03 ? 210 TRP B CH2 1 ATOM 4456 N N . ARG B 1 216 ? 241.076 86.035 17.030 1.00 57.16 ? 211 ARG B N 1 ATOM 4457 C CA . ARG B 1 216 ? 242.236 85.186 17.261 1.00 56.41 ? 211 ARG B CA 1 ATOM 4458 C C . ARG B 1 216 ? 241.928 84.041 18.212 1.00 58.34 ? 211 ARG B C 1 ATOM 4459 O O . ARG B 1 216 ? 240.888 84.026 18.868 1.00 57.07 ? 211 ARG B O 1 ATOM 4460 C CB . ARG B 1 216 ? 243.387 86.010 17.831 1.00 62.11 ? 211 ARG B CB 1 ATOM 4461 C CG . ARG B 1 216 ? 243.186 86.345 19.292 1.00 56.55 ? 211 ARG B CG 1 ATOM 4462 C CD . ARG B 1 216 ? 244.192 87.349 19.794 1.00 61.20 ? 211 ARG B CD 1 ATOM 4463 N NE . ARG B 1 216 ? 243.963 87.647 21.202 1.00 67.98 ? 211 ARG B NE 1 ATOM 4464 C CZ . ARG B 1 216 ? 244.475 88.691 21.839 1.00 74.40 ? 211 ARG B CZ 1 ATOM 4465 N NH1 . ARG B 1 216 ? 244.203 88.879 23.122 1.00 74.56 ? 211 ARG B NH1 1 ATOM 4466 N NH2 . ARG B 1 216 ? 245.245 89.556 21.192 1.00 76.72 ? 211 ARG B NH2 1 ATOM 4467 N N . LEU B 1 217 ? 242.856 83.094 18.292 1.00 58.74 ? 212 LEU B N 1 ATOM 4468 C CA . LEU B 1 217 ? 242.740 81.976 19.215 1.00 54.89 ? 212 LEU B CA 1 ATOM 4469 C C . LEU B 1 217 ? 242.971 82.443 20.649 1.00 61.95 ? 212 LEU B C 1 ATOM 4470 O O . LEU B 1 217 ? 243.981 83.081 20.945 1.00 59.99 ? 212 LEU B O 1 ATOM 4471 C CB . LEU B 1 217 ? 243.737 80.878 18.845 1.00 53.48 ? 212 LEU B CB 1 ATOM 4472 C CG . LEU B 1 217 ? 243.581 79.538 19.559 1.00 57.84 ? 212 LEU B CG 1 ATOM 4473 C CD1 . LEU B 1 217 ? 242.207 78.968 19.285 1.00 55.17 ? 212 LEU B CD1 1 ATOM 4474 C CD2 . LEU B 1 217 ? 244.662 78.568 19.114 1.00 56.00 ? 212 LEU B CD2 1 ATOM 4475 N N . LYS B 1 218 ? 242.026 82.139 21.532 1.00 60.83 ? 213 LYS B N 1 ATOM 4476 C CA . LYS B 1 218 ? 242.158 82.496 22.940 1.00 63.52 ? 213 LYS B CA 1 ATOM 4477 C C . LYS B 1 218 ? 242.831 81.363 23.698 1.00 61.84 ? 213 LYS B C 1 ATOM 4478 O O . LYS B 1 218 ? 243.883 81.542 24.310 1.00 61.07 ? 213 LYS B O 1 ATOM 4479 C CB . LYS B 1 218 ? 240.792 82.806 23.552 1.00 60.48 ? 213 LYS B CB 1 ATOM 4480 C CG . LYS B 1 218 ? 240.836 83.114 25.039 1.00 64.14 ? 213 LYS B CG 1 ATOM 4481 C CD . LYS B 1 218 ? 239.436 83.286 25.605 1.00 66.60 ? 213 LYS B CD 1 ATOM 4482 C CE . LYS B 1 218 ? 239.474 83.606 27.091 1.00 69.87 ? 213 LYS B CE 1 ATOM 4483 N NZ . LYS B 1 218 ? 238.106 83.758 27.657 1.00 83.80 ? 213 LYS B NZ 1 ATOM 4484 N N . ARG B 1 219 ? 242.202 80.196 23.653 1.00 62.46 ? 214 ARG B N 1 ATOM 4485 C CA . ARG B 1 219 ? 242.779 78.973 24.188 1.00 63.59 ? 214 ARG B CA 1 ATOM 4486 C C . ARG B 1 219 ? 242.004 77.793 23.622 1.00 60.45 ? 214 ARG B C 1 ATOM 4487 O O . ARG B 1 219 ? 240.910 77.963 23.088 1.00 62.46 ? 214 ARG B O 1 ATOM 4488 C CB . ARG B 1 219 ? 242.748 78.957 25.717 1.00 75.85 ? 214 ARG B CB 1 ATOM 4489 C CG . ARG B 1 219 ? 241.376 78.700 26.308 1.00 70.93 ? 214 ARG B CG 1 ATOM 4490 C CD . ARG B 1 219 ? 241.480 78.131 27.715 1.00 72.86 ? 214 ARG B CD 1 ATOM 4491 N NE . ARG B 1 219 ? 240.614 76.966 27.884 1.00 82.09 ? 214 ARG B NE 1 ATOM 4492 C CZ . ARG B 1 219 ? 239.337 77.030 28.246 1.00 79.61 ? 214 ARG B CZ 1 ATOM 4493 N NH1 . ARG B 1 219 ? 238.771 78.205 28.484 1.00 82.36 ? 214 ARG B NH1 1 ATOM 4494 N NH2 . ARG B 1 219 ? 238.625 75.919 28.369 1.00 72.64 ? 214 ARG B NH2 1 ATOM 4495 N N . ALA B 1 220 ? 242.571 76.600 23.734 1.00 58.22 ? 215 ALA B N 1 ATOM 4496 C CA . ALA B 1 220 ? 241.931 75.411 23.193 1.00 59.59 ? 215 ALA B CA 1 ATOM 4497 C C . ALA B 1 220 ? 242.209 74.204 24.072 1.00 59.08 ? 215 ALA B C 1 ATOM 4498 O O . ALA B 1 220 ? 243.314 74.036 24.576 1.00 62.70 ? 215 ALA B O 1 ATOM 4499 C CB . ALA B 1 220 ? 242.407 75.153 21.771 1.00 53.18 ? 215 ALA B CB 1 ATOM 4500 N N . HIS B 1 221 ? 241.197 73.370 24.265 1.00 49.86 ? 216 HIS B N 1 ATOM 4501 C CA . HIS B 1 221 ? 241.384 72.135 25.006 1.00 52.79 ? 216 HIS B CA 1 ATOM 4502 C C . HIS B 1 221 ? 241.119 70.952 24.090 1.00 57.25 ? 216 HIS B C 1 ATOM 4503 O O . HIS B 1 221 ? 239.985 70.725 23.660 1.00 59.38 ? 216 HIS B O 1 ATOM 4504 C CB . HIS B 1 221 ? 240.476 72.082 26.235 1.00 52.24 ? 216 HIS B CB 1 ATOM 4505 C CG . HIS B 1 221 ? 240.841 71.002 27.205 1.00 57.66 ? 216 HIS B CG 1 ATOM 4506 N ND1 . HIS B 1 221 ? 242.148 70.694 27.515 1.00 72.69 ? 216 HIS B ND1 1 ATOM 4507 C CD2 . HIS B 1 221 ? 240.073 70.157 27.933 1.00 68.44 ? 216 HIS B CD2 1 ATOM 4508 C CE1 . HIS B 1 221 ? 242.170 69.705 28.390 1.00 66.22 ? 216 HIS B CE1 1 ATOM 4509 N NE2 . HIS B 1 221 ? 240.925 69.361 28.661 1.00 73.98 ? 216 HIS B NE2 1 ATOM 4510 N N . LEU B 1 222 ? 242.180 70.216 23.779 1.00 59.95 ? 217 LEU B N 1 ATOM 4511 C CA . LEU B 1 222 ? 242.077 69.033 22.939 1.00 58.55 ? 217 LEU B CA 1 ATOM 4512 C C . LEU B 1 222 ? 242.201 67.789 23.808 1.00 67.62 ? 217 LEU B C 1 ATOM 4513 O O . LEU B 1 222 ? 243.130 67.665 24.603 1.00 72.39 ? 217 LEU B O 1 ATOM 4514 C CB . LEU B 1 222 ? 243.147 69.041 21.840 1.00 55.58 ? 217 LEU B CB 1 ATOM 4515 C CG . LEU B 1 222 ? 243.250 70.291 20.955 1.00 58.12 ? 217 LEU B CG 1 ATOM 4516 C CD1 . LEU B 1 222 ? 244.068 70.016 19.700 1.00 50.36 ? 217 LEU B CD1 1 ATOM 4517 C CD2 . LEU B 1 222 ? 241.876 70.831 20.586 1.00 57.50 ? 217 LEU B CD2 1 ATOM 4518 N N . ILE B 1 223 ? 241.246 66.879 23.664 1.00 71.79 ? 218 ILE B N 1 ATOM 4519 C CA . ILE B 1 223 ? 241.202 65.669 24.475 1.00 67.70 ? 218 ILE B CA 1 ATOM 4520 C C . ILE B 1 223 ? 241.596 64.494 23.591 1.00 67.97 ? 218 ILE B C 1 ATOM 4521 O O . ILE B 1 223 ? 241.763 63.362 24.048 1.00 72.20 ? 218 ILE B O 1 ATOM 4522 C CB . ILE B 1 223 ? 239.795 65.464 25.099 1.00 81.98 ? 218 ILE B CB 1 ATOM 4523 C CG1 . ILE B 1 223 ? 239.904 65.136 26.589 1.00 87.86 ? 218 ILE B CG1 1 ATOM 4524 C CG2 . ILE B 1 223 ? 238.961 64.445 24.315 1.00 87.10 ? 218 ILE B CG2 1 ATOM 4525 C CD1 . ILE B 1 223 ? 240.173 66.354 27.447 1.00 84.41 ? 218 ILE B CD1 1 ATOM 4526 N N . GLU B 1 224 ? 241.766 64.806 22.311 1.00 74.11 ? 219 GLU B N 1 ATOM 4527 C CA . GLU B 1 224 ? 242.148 63.841 21.294 1.00 72.14 ? 219 GLU B CA 1 ATOM 4528 C C . GLU B 1 224 ? 242.908 64.568 20.194 1.00 58.98 ? 219 GLU B C 1 ATOM 4529 O O . GLU B 1 224 ? 242.802 65.787 20.068 1.00 68.27 ? 219 GLU B O 1 ATOM 4530 C CB . GLU B 1 224 ? 240.915 63.144 20.723 1.00 73.41 ? 219 GLU B CB 1 ATOM 4531 C CG . GLU B 1 224 ? 239.925 64.101 20.072 1.00 75.70 ? 219 GLU B CG 1 ATOM 4532 C CD . GLU B 1 224 ? 238.638 63.426 19.641 1.00 73.72 ? 219 GLU B CD 1 ATOM 4533 O OE1 . GLU B 1 224 ? 238.509 62.201 19.847 1.00 84.94 ? 219 GLU B OE1 1 ATOM 4534 O OE2 . GLU B 1 224 ? 237.756 64.122 19.096 1.00 92.49 ? 219 GLU B OE2 1 ATOM 4535 N N . MET B 1 225 ? 243.684 63.832 19.407 1.00 64.05 ? 220 MET B N 1 ATOM 4536 C CA . MET B 1 225 ? 244.363 64.424 18.261 1.00 65.71 ? 220 MET B CA 1 ATOM 4537 C C . MET B 1 225 ? 243.942 63.694 16.994 1.00 59.65 ? 220 MET B C 1 ATOM 4538 O O . MET B 1 225 ? 244.617 62.763 16.555 1.00 67.39 ? 220 MET B O 1 ATOM 4539 C CB . MET B 1 225 ? 245.887 64.371 18.423 1.00 70.54 ? 220 MET B CB 1 ATOM 4540 C CG . MET B 1 225 ? 246.395 64.357 19.862 1.00 78.96 ? 220 MET B CG 1 ATOM 4541 S SD . MET B 1 225 ? 245.901 65.775 20.870 1.00 72.21 ? 220 MET B SD 1 ATOM 4542 C CE . MET B 1 225 ? 246.224 67.135 19.765 1.00 51.67 ? 220 MET B CE 1 ATOM 4543 N N . LYS B 1 226 ? 242.816 64.105 16.417 1.00 64.52 ? 221 LYS B N 1 ATOM 4544 C CA . LYS B 1 226 ? 242.297 63.459 15.214 1.00 65.85 ? 221 LYS B CA 1 ATOM 4545 C C . LYS B 1 226 ? 242.774 64.168 13.955 1.00 62.94 ? 221 LYS B C 1 ATOM 4546 O O . LYS B 1 226 ? 243.235 65.306 14.010 1.00 63.74 ? 221 LYS B O 1 ATOM 4547 C CB . LYS B 1 226 ? 240.765 63.395 15.243 1.00 67.16 ? 221 LYS B CB 1 ATOM 4548 C CG . LYS B 1 226 ? 240.047 64.684 15.611 1.00 63.60 ? 221 LYS B CG 1 ATOM 4549 C CD . LYS B 1 226 ? 238.538 64.443 15.638 1.00 64.08 ? 221 LYS B CD 1 ATOM 4550 C CE . LYS B 1 226 ? 237.745 65.724 15.845 1.00 57.61 ? 221 LYS B CE 1 ATOM 4551 N NZ . LYS B 1 226 ? 237.843 66.243 17.237 1.00 68.49 ? 221 LYS B NZ 1 ATOM 4552 N N . THR B 1 227 ? 242.663 63.482 12.821 1.00 58.91 ? 222 THR B N 1 ATOM 4553 C CA . THR B 1 227 ? 243.233 63.969 11.572 1.00 56.49 ? 222 THR B CA 1 ATOM 4554 C C . THR B 1 227 ? 242.193 64.118 10.467 1.00 61.20 ? 222 THR B C 1 ATOM 4555 O O . THR B 1 227 ? 242.535 64.151 9.285 1.00 62.23 ? 222 THR B O 1 ATOM 4556 C CB . THR B 1 227 ? 244.345 63.032 11.072 1.00 68.67 ? 222 THR B CB 1 ATOM 4557 O OG1 . THR B 1 227 ? 243.797 61.731 10.824 1.00 70.28 ? 222 THR B OG1 1 ATOM 4558 C CG2 . THR B 1 227 ? 245.453 62.921 12.106 1.00 66.34 ? 222 THR B CG2 1 ATOM 4559 N N . CYS B 1 228 ? 240.924 64.198 10.852 1.00 55.82 ? 223 CYS B N 1 ATOM 4560 C CA . CYS B 1 228 ? 239.858 64.440 9.889 1.00 52.61 ? 223 CYS B CA 1 ATOM 4561 C C . CYS B 1 228 ? 239.773 65.934 9.590 1.00 52.27 ? 223 CYS B C 1 ATOM 4562 O O . CYS B 1 228 ? 240.479 66.728 10.202 1.00 55.49 ? 223 CYS B O 1 ATOM 4563 C CB . CYS B 1 228 ? 238.522 63.908 10.412 1.00 61.14 ? 223 CYS B CB 1 ATOM 4564 S SG . CYS B 1 228 ? 238.026 64.540 12.034 1.00 65.19 ? 223 CYS B SG 1 ATOM 4565 N N . GLU B 1 229 ? 238.921 66.316 8.645 1.00 59.76 ? 224 GLU B N 1 ATOM 4566 C CA . GLU B 1 229 ? 238.822 67.717 8.243 1.00 60.41 ? 224 GLU B CA 1 ATOM 4567 C C . GLU B 1 229 ? 237.566 68.385 8.790 1.00 62.79 ? 224 GLU B C 1 ATOM 4568 O O . GLU B 1 229 ? 236.446 68.008 8.443 1.00 64.78 ? 224 GLU B O 1 ATOM 4569 C CB . GLU B 1 229 ? 238.853 67.843 6.718 1.00 65.09 ? 224 GLU B CB 1 ATOM 4570 C CG . GLU B 1 229 ? 240.161 67.403 6.083 1.00 77.09 ? 224 GLU B CG 1 ATOM 4571 C CD . GLU B 1 229 ? 240.219 67.700 4.597 1.00 78.31 ? 224 GLU B CD 1 ATOM 4572 O OE1 . GLU B 1 229 ? 239.183 68.098 4.024 1.00 81.99 ? 224 GLU B OE1 1 ATOM 4573 O OE2 . GLU B 1 229 ? 241.304 67.538 4.001 1.00 73.58 ? 224 GLU B OE2 1 ATOM 4574 N N . TRP B 1 230 ? 237.767 69.383 9.644 1.00 58.17 ? 225 TRP B N 1 ATOM 4575 C CA . TRP B 1 230 ? 236.670 70.152 10.214 1.00 45.30 ? 225 TRP B CA 1 ATOM 4576 C C . TRP B 1 230 ? 235.908 70.885 9.118 1.00 51.51 ? 225 TRP B C 1 ATOM 4577 O O . TRP B 1 230 ? 236.450 71.790 8.482 1.00 47.06 ? 225 TRP B O 1 ATOM 4578 C CB . TRP B 1 230 ? 237.198 71.148 11.245 1.00 51.36 ? 225 TRP B CB 1 ATOM 4579 C CG . TRP B 1 230 ? 236.145 71.735 12.127 1.00 48.49 ? 225 TRP B CG 1 ATOM 4580 C CD1 . TRP B 1 230 ? 235.123 72.555 11.751 1.00 50.59 ? 225 TRP B CD1 1 ATOM 4581 C CD2 . TRP B 1 230 ? 236.021 71.563 13.542 1.00 44.20 ? 225 TRP B CD2 1 ATOM 4582 N NE1 . TRP B 1 230 ? 234.364 72.898 12.842 1.00 54.20 ? 225 TRP B NE1 1 ATOM 4583 C CE2 . TRP B 1 230 ? 234.896 72.302 13.955 1.00 49.14 ? 225 TRP B CE2 1 ATOM 4584 C CE3 . TRP B 1 230 ? 236.751 70.853 14.499 1.00 45.94 ? 225 TRP B CE3 1 ATOM 4585 C CZ2 . TRP B 1 230 ? 234.484 72.353 15.284 1.00 49.10 ? 225 TRP B CZ2 1 ATOM 4586 C CZ3 . TRP B 1 230 ? 236.342 70.903 15.816 1.00 52.10 ? 225 TRP B CZ3 1 ATOM 4587 C CH2 . TRP B 1 230 ? 235.218 71.648 16.197 1.00 58.60 ? 225 TRP B CH2 1 ATOM 4588 N N . PRO B 1 231 ? 234.640 70.501 8.905 1.00 57.35 ? 226 PRO B N 1 ATOM 4589 C CA . PRO B 1 231 ? 233.800 71.032 7.826 1.00 53.66 ? 226 PRO B CA 1 ATOM 4590 C C . PRO B 1 231 ? 233.557 72.533 7.942 1.00 52.42 ? 226 PRO B C 1 ATOM 4591 O O . PRO B 1 231 ? 233.367 73.053 9.043 1.00 50.26 ? 226 PRO B O 1 ATOM 4592 C CB . PRO B 1 231 ? 232.490 70.256 7.987 1.00 57.11 ? 226 PRO B CB 1 ATOM 4593 C CG . PRO B 1 231 ? 232.473 69.837 9.414 1.00 55.86 ? 226 PRO B CG 1 ATOM 4594 C CD . PRO B 1 231 ? 233.901 69.560 9.763 1.00 56.02 ? 226 PRO B CD 1 ATOM 4595 N N . LYS B 1 232 ? 233.562 73.216 6.802 1.00 53.46 ? 227 LYS B N 1 ATOM 4596 C CA . LYS B 1 232 ? 233.365 74.658 6.766 1.00 49.63 ? 227 LYS B CA 1 ATOM 4597 C C . LYS B 1 232 ? 231.929 75.019 7.106 1.00 55.63 ? 227 LYS B C 1 ATOM 4598 O O . LYS B 1 232 ? 231.644 76.143 7.515 1.00 63.00 ? 227 LYS B O 1 ATOM 4599 C CB . LYS B 1 232 ? 233.726 75.217 5.391 1.00 56.68 ? 227 LYS B CB 1 ATOM 4600 C CG . LYS B 1 232 ? 235.056 74.732 4.842 1.00 64.38 ? 227 LYS B CG 1 ATOM 4601 C CD . LYS B 1 232 ? 235.314 75.343 3.477 1.00 61.29 ? 227 LYS B CD 1 ATOM 4602 C CE . LYS B 1 232 ? 236.513 74.722 2.794 1.00 58.52 ? 227 LYS B CE 1 ATOM 4603 N NZ . LYS B 1 232 ? 236.666 75.252 1.412 1.00 61.11 ? 227 LYS B NZ 1 ATOM 4604 N N . SER B 1 233 ? 231.026 74.061 6.922 1.00 58.92 ? 228 SER B N 1 ATOM 4605 C CA . SER B 1 233 ? 229.617 74.261 7.238 1.00 52.04 ? 228 SER B CA 1 ATOM 4606 C C . SER B 1 233 ? 229.460 74.620 8.708 1.00 51.97 ? 228 SER B C 1 ATOM 4607 O O . SER B 1 233 ? 228.584 75.398 9.081 1.00 56.41 ? 228 SER B O 1 ATOM 4608 C CB . SER B 1 233 ? 228.804 73.008 6.910 1.00 49.29 ? 228 SER B CB 1 ATOM 4609 O OG . SER B 1 233 ? 229.175 71.931 7.754 1.00 56.80 ? 228 SER B OG 1 ATOM 4610 N N . HIS B 1 234 ? 230.331 74.053 9.534 1.00 54.57 ? 229 HIS B N 1 ATOM 4611 C CA . HIS B 1 234 ? 230.306 74.300 10.967 1.00 50.72 ? 229 HIS B CA 1 ATOM 4612 C C . HIS B 1 234 ? 231.505 75.137 11.396 1.00 52.89 ? 229 HIS B C 1 ATOM 4613 O O . HIS B 1 234 ? 232.003 75.000 12.514 1.00 52.01 ? 229 HIS B O 1 ATOM 4614 C CB . HIS B 1 234 ? 230.283 72.978 11.732 1.00 55.22 ? 229 HIS B CB 1 ATOM 4615 C CG . HIS B 1 234 ? 229.052 72.159 11.488 1.00 65.39 ? 229 HIS B CG 1 ATOM 4616 N ND1 . HIS B 1 234 ? 228.698 71.699 10.238 1.00 61.96 ? 229 HIS B ND1 1 ATOM 4617 C CD2 . HIS B 1 234 ? 228.094 71.717 12.336 1.00 64.98 ? 229 HIS B CD2 1 ATOM 4618 C CE1 . HIS B 1 234 ? 227.574 71.011 10.326 1.00 59.25 ? 229 HIS B CE1 1 ATOM 4619 N NE2 . HIS B 1 234 ? 227.188 71.006 11.589 1.00 64.20 ? 229 HIS B NE2 1 ATOM 4620 N N . THR B 1 235 ? 231.962 76.005 10.499 1.00 47.66 ? 230 THR B N 1 ATOM 4621 C CA . THR B 1 235 ? 233.112 76.858 10.770 1.00 48.34 ? 230 THR B CA 1 ATOM 4622 C C . THR B 1 235 ? 232.779 78.316 10.454 1.00 53.32 ? 230 THR B C 1 ATOM 4623 O O . THR B 1 235 ? 232.035 78.597 9.517 1.00 52.25 ? 230 THR B O 1 ATOM 4624 C CB . THR B 1 235 ? 234.343 76.416 9.950 1.00 52.29 ? 230 THR B CB 1 ATOM 4625 O OG1 . THR B 1 235 ? 234.534 75.002 10.088 1.00 55.16 ? 230 THR B OG1 1 ATOM 4626 C CG2 . THR B 1 235 ? 235.592 77.137 10.417 1.00 48.49 ? 230 THR B CG2 1 ATOM 4627 N N . LEU B 1 236 ? 233.329 79.235 11.242 1.00 51.94 ? 231 LEU B N 1 ATOM 4628 C CA . LEU B 1 236 ? 233.103 80.664 11.047 1.00 45.32 ? 231 LEU B CA 1 ATOM 4629 C C . LEU B 1 236 ? 234.200 81.304 10.212 1.00 52.65 ? 231 LEU B C 1 ATOM 4630 O O . LEU B 1 236 ? 235.365 80.929 10.331 1.00 51.34 ? 231 LEU B O 1 ATOM 4631 C CB . LEU B 1 236 ? 233.025 81.375 12.395 1.00 51.49 ? 231 LEU B CB 1 ATOM 4632 C CG . LEU B 1 236 ? 231.952 80.884 13.357 1.00 55.03 ? 231 LEU B CG 1 ATOM 4633 C CD1 . LEU B 1 236 ? 232.334 81.247 14.777 1.00 51.56 ? 231 LEU B CD1 1 ATOM 4634 C CD2 . LEU B 1 236 ? 230.621 81.495 12.979 1.00 52.12 ? 231 LEU B CD2 1 ATOM 4635 N N . TRP B 1 237 ? 233.821 82.274 9.381 1.00 51.49 ? 232 TRP B N 1 ATOM 4636 C CA . TRP B 1 237 ? 234.777 83.080 8.623 1.00 51.86 ? 232 TRP B CA 1 ATOM 4637 C C . TRP B 1 237 ? 235.802 82.214 7.895 1.00 55.80 ? 232 TRP B C 1 ATOM 4638 O O . TRP B 1 237 ? 236.970 82.177 8.275 1.00 53.48 ? 232 TRP B O 1 ATOM 4639 C CB . TRP B 1 237 ? 235.488 84.056 9.560 1.00 50.25 ? 232 TRP B CB 1 ATOM 4640 C CG . TRP B 1 237 ? 236.090 85.235 8.876 1.00 52.45 ? 232 TRP B CG 1 ATOM 4641 C CD1 . TRP B 1 237 ? 236.116 85.481 7.536 1.00 54.12 ? 232 TRP B CD1 1 ATOM 4642 C CD2 . TRP B 1 237 ? 236.749 86.342 9.501 1.00 54.81 ? 232 TRP B CD2 1 ATOM 4643 N NE1 . TRP B 1 237 ? 236.754 86.672 7.287 1.00 58.95 ? 232 TRP B NE1 1 ATOM 4644 C CE2 . TRP B 1 237 ? 237.153 87.220 8.478 1.00 55.78 ? 232 TRP B CE2 1 ATOM 4645 C CE3 . TRP B 1 237 ? 237.039 86.675 10.828 1.00 56.08 ? 232 TRP B CE3 1 ATOM 4646 C CZ2 . TRP B 1 237 ? 237.831 88.409 8.738 1.00 54.24 ? 232 TRP B CZ2 1 ATOM 4647 C CZ3 . TRP B 1 237 ? 237.712 87.855 11.085 1.00 57.47 ? 232 TRP B CZ3 1 ATOM 4648 C CH2 . TRP B 1 237 ? 238.101 88.708 10.045 1.00 47.88 ? 232 TRP B CH2 1 ATOM 4649 N N . THR B 1 238 ? 235.357 81.516 6.855 1.00 56.08 ? 233 THR B N 1 ATOM 4650 C CA . THR B 1 238 ? 236.185 80.509 6.201 1.00 55.35 ? 233 THR B CA 1 ATOM 4651 C C . THR B 1 238 ? 236.822 80.988 4.899 1.00 54.89 ? 233 THR B C 1 ATOM 4652 O O . THR B 1 238 ? 237.412 80.196 4.167 1.00 52.28 ? 233 THR B O 1 ATOM 4653 C CB . THR B 1 238 ? 235.371 79.240 5.899 1.00 50.85 ? 233 THR B CB 1 ATOM 4654 O OG1 . THR B 1 238 ? 234.301 79.561 5.003 1.00 52.57 ? 233 THR B OG1 1 ATOM 4655 C CG2 . THR B 1 238 ? 234.794 78.668 7.177 1.00 48.62 ? 233 THR B CG2 1 ATOM 4656 N N . ASP B 1 239 ? 236.711 82.281 4.614 1.00 55.66 ? 234 ASP B N 1 ATOM 4657 C CA . ASP B 1 239 ? 237.231 82.822 3.362 1.00 52.57 ? 234 ASP B CA 1 ATOM 4658 C C . ASP B 1 239 ? 238.448 83.713 3.584 1.00 56.91 ? 234 ASP B C 1 ATOM 4659 O O . ASP B 1 239 ? 238.539 84.416 4.589 1.00 61.19 ? 234 ASP B O 1 ATOM 4660 C CB . ASP B 1 239 ? 236.143 83.609 2.632 1.00 56.59 ? 234 ASP B CB 1 ATOM 4661 C CG . ASP B 1 239 ? 235.800 84.908 3.331 1.00 60.96 ? 234 ASP B CG 1 ATOM 4662 O OD1 . ASP B 1 239 ? 236.274 85.973 2.883 1.00 61.25 ? 234 ASP B OD1 1 ATOM 4663 O OD2 . ASP B 1 239 ? 235.065 84.861 4.339 1.00 65.29 ? 234 ASP B OD2 1 ATOM 4664 N N . GLY B 1 240 ? 239.379 83.680 2.635 1.00 49.73 ? 235 GLY B N 1 ATOM 4665 C CA . GLY B 1 240 ? 240.545 84.543 2.676 1.00 45.24 ? 235 GLY B CA 1 ATOM 4666 C C . GLY B 1 240 ? 241.542 84.184 3.760 1.00 52.67 ? 235 GLY B C 1 ATOM 4667 O O . GLY B 1 240 ? 242.128 85.064 4.388 1.00 60.58 ? 235 GLY B O 1 ATOM 4668 N N . ILE B 1 241 ? 241.736 82.887 3.980 1.00 59.53 ? 236 ILE B N 1 ATOM 4669 C CA . ILE B 1 241 ? 242.671 82.416 4.995 1.00 70.07 ? 236 ILE B CA 1 ATOM 4670 C C . ILE B 1 241 ? 243.732 81.511 4.398 1.00 70.59 ? 236 ILE B C 1 ATOM 4671 O O . ILE B 1 241 ? 243.423 80.435 3.890 1.00 77.57 ? 236 ILE B O 1 ATOM 4672 C CB . ILE B 1 241 ? 241.967 81.628 6.110 1.00 68.89 ? 236 ILE B CB 1 ATOM 4673 C CG1 . ILE B 1 241 ? 240.477 81.946 6.137 1.00 71.04 ? 236 ILE B CG1 1 ATOM 4674 C CG2 . ILE B 1 241 ? 242.622 81.901 7.460 1.00 74.38 ? 236 ILE B CG2 1 ATOM 4675 C CD1 . ILE B 1 241 ? 239.685 80.942 6.908 1.00 77.14 ? 236 ILE B CD1 1 ATOM 4676 N N . GLU B 1 242 ? 244.984 81.943 4.466 1.00 69.66 ? 237 GLU B N 1 ATOM 4677 C CA . GLU B 1 242 ? 246.083 81.083 4.068 1.00 69.90 ? 237 GLU B CA 1 ATOM 4678 C C . GLU B 1 242 ? 246.204 79.948 5.080 1.00 71.48 ? 237 GLU B C 1 ATOM 4679 O O . GLU B 1 242 ? 246.307 80.188 6.283 1.00 66.40 ? 237 GLU B O 1 ATOM 4680 C CB . GLU B 1 242 ? 247.386 81.872 3.963 1.00 73.53 ? 237 GLU B CB 1 ATOM 4681 C CG . GLU B 1 242 ? 248.535 81.082 3.366 1.00 78.85 ? 237 GLU B CG 1 ATOM 4682 C CD . GLU B 1 242 ? 249.658 81.973 2.878 1.00 92.29 ? 237 GLU B CD 1 ATOM 4683 O OE1 . GLU B 1 242 ? 249.635 82.362 1.692 1.00 92.94 ? 237 GLU B OE1 1 ATOM 4684 O OE2 . GLU B 1 242 ? 250.567 82.283 3.677 1.00 100.58 ? 237 GLU B OE2 1 ATOM 4685 N N . GLU B 1 243 ? 246.181 78.717 4.578 1.00 66.68 ? 238 GLU B N 1 ATOM 4686 C CA . GLU B 1 243 ? 246.184 77.515 5.410 1.00 61.93 ? 238 GLU B CA 1 ATOM 4687 C C . GLU B 1 243 ? 247.327 77.489 6.429 1.00 70.84 ? 238 GLU B C 1 ATOM 4688 O O . GLU B 1 243 ? 247.210 76.882 7.495 1.00 73.64 ? 238 GLU B O 1 ATOM 4689 C CB . GLU B 1 243 ? 246.251 76.272 4.516 1.00 61.04 ? 238 GLU B CB 1 ATOM 4690 C CG . GLU B 1 243 ? 246.216 74.946 5.259 1.00 79.26 ? 238 GLU B CG 1 ATOM 4691 C CD . GLU B 1 243 ? 246.190 73.754 4.322 1.00 86.40 ? 238 GLU B CD 1 ATOM 4692 O OE1 . GLU B 1 243 ? 246.935 72.782 4.570 1.00 80.06 ? 238 GLU B OE1 1 ATOM 4693 O OE2 . GLU B 1 243 ? 245.420 73.789 3.338 1.00 91.72 ? 238 GLU B OE2 1 ATOM 4694 N N . SER B 1 244 ? 248.424 78.162 6.105 1.00 61.70 ? 239 SER B N 1 ATOM 4695 C CA . SER B 1 244 ? 249.592 78.175 6.975 1.00 55.64 ? 239 SER B CA 1 ATOM 4696 C C . SER B 1 244 ? 249.455 79.173 8.124 1.00 59.56 ? 239 SER B C 1 ATOM 4697 O O . SER B 1 244 ? 250.265 79.168 9.050 1.00 58.03 ? 239 SER B O 1 ATOM 4698 C CB . SER B 1 244 ? 250.848 78.483 6.161 1.00 55.04 ? 239 SER B CB 1 ATOM 4699 O OG . SER B 1 244 ? 250.661 79.634 5.358 1.00 61.79 ? 239 SER B OG 1 ATOM 4700 N N . ASP B 1 245 ? 248.430 80.020 8.069 1.00 61.49 ? 240 ASP B N 1 ATOM 4701 C CA . ASP B 1 245 ? 248.198 81.007 9.125 1.00 58.62 ? 240 ASP B CA 1 ATOM 4702 C C . ASP B 1 245 ? 247.384 80.428 10.276 1.00 58.10 ? 240 ASP B C 1 ATOM 4703 O O . ASP B 1 245 ? 247.200 81.077 11.305 1.00 58.36 ? 240 ASP B O 1 ATOM 4704 C CB . ASP B 1 245 ? 247.492 82.242 8.566 1.00 53.01 ? 240 ASP B CB 1 ATOM 4705 C CG . ASP B 1 245 ? 248.461 83.322 8.137 1.00 73.23 ? 240 ASP B CG 1 ATOM 4706 O OD1 . ASP B 1 245 ? 249.650 83.006 7.934 1.00 85.62 ? 240 ASP B OD1 1 ATOM 4707 O OD2 . ASP B 1 245 ? 248.034 84.488 8.001 1.00 79.22 ? 240 ASP B OD2 1 ATOM 4708 N N . LEU B 1 246 ? 246.895 79.206 10.096 1.00 55.95 ? 241 LEU B N 1 ATOM 4709 C CA . LEU B 1 246 ? 246.154 78.525 11.148 1.00 59.63 ? 241 LEU B CA 1 ATOM 4710 C C . LEU B 1 246 ? 247.074 78.191 12.313 1.00 61.06 ? 241 LEU B C 1 ATOM 4711 O O . LEU B 1 246 ? 248.289 78.292 12.198 1.00 69.96 ? 241 LEU B O 1 ATOM 4712 C CB . LEU B 1 246 ? 245.497 77.254 10.611 1.00 51.59 ? 241 LEU B CB 1 ATOM 4713 C CG . LEU B 1 246 ? 244.456 77.490 9.520 1.00 48.91 ? 241 LEU B CG 1 ATOM 4714 C CD1 . LEU B 1 246 ? 243.806 76.182 9.112 1.00 50.14 ? 241 LEU B CD1 1 ATOM 4715 C CD2 . LEU B 1 246 ? 243.416 78.494 9.996 1.00 50.77 ? 241 LEU B CD2 1 ATOM 4716 N N . ILE B 1 247 ? 246.489 77.810 13.441 1.00 58.84 ? 242 ILE B N 1 ATOM 4717 C CA . ILE B 1 247 ? 247.277 77.383 14.587 1.00 56.48 ? 242 ILE B CA 1 ATOM 4718 C C . ILE B 1 247 ? 247.185 75.872 14.703 1.00 57.96 ? 242 ILE B C 1 ATOM 4719 O O . ILE B 1 247 ? 248.186 75.169 14.585 1.00 61.29 ? 242 ILE B O 1 ATOM 4720 C CB . ILE B 1 247 ? 246.806 78.047 15.890 1.00 55.87 ? 242 ILE B CB 1 ATOM 4721 C CG1 . ILE B 1 247 ? 246.953 79.567 15.787 1.00 58.27 ? 242 ILE B CG1 1 ATOM 4722 C CG2 . ILE B 1 247 ? 247.592 77.512 17.074 1.00 56.26 ? 242 ILE B CG2 1 ATOM 4723 C CD1 . ILE B 1 247 ? 248.353 80.025 15.432 1.00 52.51 ? 242 ILE B CD1 1 ATOM 4724 N N . ILE B 1 248 ? 245.974 75.375 14.925 1.00 62.81 ? 243 ILE B N 1 ATOM 4725 C CA . ILE B 1 248 ? 245.732 73.943 14.864 1.00 63.53 ? 243 ILE B CA 1 ATOM 4726 C C . ILE B 1 248 ? 245.611 73.547 13.401 1.00 56.93 ? 243 ILE B C 1 ATOM 4727 O O . ILE B 1 248 ? 244.704 74.006 12.707 1.00 62.04 ? 243 ILE B O 1 ATOM 4728 C CB . ILE B 1 248 ? 244.464 73.533 15.633 1.00 58.06 ? 243 ILE B CB 1 ATOM 4729 C CG1 . ILE B 1 248 ? 244.541 74.029 17.078 1.00 61.06 ? 243 ILE B CG1 1 ATOM 4730 C CG2 . ILE B 1 248 ? 244.284 72.023 15.595 1.00 51.23 ? 243 ILE B CG2 1 ATOM 4731 C CD1 . ILE B 1 248 ? 243.371 73.605 17.931 1.00 65.21 ? 243 ILE B CD1 1 ATOM 4732 N N . PRO B 1 249 ? 246.537 72.704 12.926 1.00 56.00 ? 244 PRO B N 1 ATOM 4733 C CA . PRO B 1 249 ? 246.639 72.332 11.511 1.00 55.91 ? 244 PRO B CA 1 ATOM 4734 C C . PRO B 1 249 ? 245.326 71.819 10.928 1.00 61.71 ? 244 PRO B C 1 ATOM 4735 O O . PRO B 1 249 ? 244.528 71.212 11.643 1.00 56.45 ? 244 PRO B O 1 ATOM 4736 C CB . PRO B 1 249 ? 247.696 71.224 11.518 1.00 56.79 ? 244 PRO B CB 1 ATOM 4737 C CG . PRO B 1 249 ? 248.515 71.493 12.729 1.00 59.17 ? 244 PRO B CG 1 ATOM 4738 C CD . PRO B 1 249 ? 247.554 72.026 13.749 1.00 58.78 ? 244 PRO B CD 1 ATOM 4739 N N . LYS B 1 250 ? 245.107 72.083 9.643 1.00 64.18 ? 245 LYS B N 1 ATOM 4740 C CA . LYS B 1 250 ? 243.947 71.559 8.936 1.00 56.35 ? 245 LYS B CA 1 ATOM 4741 C C . LYS B 1 250 ? 243.936 70.039 9.011 1.00 56.59 ? 245 LYS B C 1 ATOM 4742 O O . LYS B 1 250 ? 242.891 69.422 9.204 1.00 63.95 ? 245 LYS B O 1 ATOM 4743 C CB . LYS B 1 250 ? 243.950 72.019 7.478 1.00 58.43 ? 245 LYS B CB 1 ATOM 4744 C CG . LYS B 1 250 ? 242.918 71.327 6.606 1.00 62.66 ? 245 LYS B CG 1 ATOM 4745 C CD . LYS B 1 250 ? 242.953 71.859 5.182 1.00 73.48 ? 245 LYS B CD 1 ATOM 4746 C CE . LYS B 1 250 ? 241.990 71.099 4.281 1.00 79.58 ? 245 LYS B CE 1 ATOM 4747 N NZ . LYS B 1 250 ? 242.072 71.559 2.866 1.00 80.11 ? 245 LYS B NZ 1 ATOM 4748 N N . SER B 1 251 ? 245.118 69.445 8.880 1.00 60.78 ? 246 SER B N 1 ATOM 4749 C CA . SER B 1 251 ? 245.264 67.995 8.924 1.00 62.75 ? 246 SER B CA 1 ATOM 4750 C C . SER B 1 251 ? 245.187 67.469 10.354 1.00 63.16 ? 246 SER B C 1 ATOM 4751 O O . SER B 1 251 ? 245.445 66.292 10.610 1.00 59.69 ? 246 SER B O 1 ATOM 4752 C CB . SER B 1 251 ? 246.586 67.576 8.282 1.00 57.83 ? 246 SER B CB 1 ATOM 4753 O OG . SER B 1 251 ? 247.671 68.267 8.872 1.00 55.33 ? 246 SER B OG 1 ATOM 4754 N N . LEU B 1 252 ? 244.834 68.354 11.280 1.00 63.09 ? 247 LEU B N 1 ATOM 4755 C CA . LEU B 1 252 ? 244.635 67.980 12.672 1.00 65.19 ? 247 LEU B CA 1 ATOM 4756 C C . LEU B 1 252 ? 243.262 68.463 13.128 1.00 65.94 ? 247 LEU B C 1 ATOM 4757 O O . LEU B 1 252 ? 243.076 68.855 14.281 1.00 57.10 ? 247 LEU B O 1 ATOM 4758 C CB . LEU B 1 252 ? 245.743 68.562 13.551 1.00 64.59 ? 247 LEU B CB 1 ATOM 4759 C CG . LEU B 1 252 ? 246.381 67.636 14.591 1.00 65.53 ? 247 LEU B CG 1 ATOM 4760 C CD1 . LEU B 1 252 ? 245.614 67.666 15.901 1.00 68.36 ? 247 LEU B CD1 1 ATOM 4761 C CD2 . LEU B 1 252 ? 246.473 66.213 14.059 1.00 69.18 ? 247 LEU B CD2 1 ATOM 4762 N N . ALA B 1 253 ? 242.314 68.441 12.192 1.00 45.60 ? 248 ALA B N 1 ATOM 4763 C CA . ALA B 1 253 ? 240.920 68.810 12.435 1.00 49.39 ? 248 ALA B CA 1 ATOM 4764 C C . ALA B 1 253 ? 240.758 70.249 12.914 1.00 48.57 ? 248 ALA B C 1 ATOM 4765 O O . ALA B 1 253 ? 239.747 70.598 13.519 1.00 45.56 ? 248 ALA B O 1 ATOM 4766 C CB . ALA B 1 253 ? 240.282 67.846 13.431 1.00 52.40 ? 248 ALA B CB 1 ATOM 4767 N N . GLY B 1 254 ? 241.751 71.085 12.631 1.00 49.20 ? 249 GLY B N 1 ATOM 4768 C CA . GLY B 1 254 ? 241.655 72.498 12.940 1.00 44.00 ? 249 GLY B CA 1 ATOM 4769 C C . GLY B 1 254 ? 240.718 73.193 11.972 1.00 49.60 ? 249 GLY B C 1 ATOM 4770 O O . GLY B 1 254 ? 240.838 73.023 10.760 1.00 60.03 ? 249 GLY B O 1 ATOM 4771 N N . PRO B 1 255 ? 239.762 73.967 12.505 1.00 53.74 ? 250 PRO B N 1 ATOM 4772 C CA . PRO B 1 255 ? 238.811 74.722 11.684 1.00 56.53 ? 250 PRO B CA 1 ATOM 4773 C C . PRO B 1 255 ? 239.502 75.709 10.748 1.00 56.55 ? 250 PRO B C 1 ATOM 4774 O O . PRO B 1 255 ? 240.309 76.520 11.201 1.00 53.05 ? 250 PRO B O 1 ATOM 4775 C CB . PRO B 1 255 ? 237.965 75.467 12.723 1.00 44.77 ? 250 PRO B CB 1 ATOM 4776 C CG . PRO B 1 255 ? 238.086 74.658 13.959 1.00 48.22 ? 250 PRO B CG 1 ATOM 4777 C CD . PRO B 1 255 ? 239.475 74.100 13.943 1.00 56.54 ? 250 PRO B CD 1 ATOM 4778 N N . LEU B 1 256 ? 239.188 75.638 9.458 1.00 51.83 ? 251 LEU B N 1 ATOM 4779 C CA . LEU B 1 256 ? 239.718 76.602 8.503 1.00 52.85 ? 251 LEU B CA 1 ATOM 4780 C C . LEU B 1 256 ? 239.084 77.958 8.761 1.00 56.86 ? 251 LEU B C 1 ATOM 4781 O O . LEU B 1 256 ? 238.171 78.369 8.047 1.00 58.29 ? 251 LEU B O 1 ATOM 4782 C CB . LEU B 1 256 ? 239.454 76.159 7.065 1.00 51.24 ? 251 LEU B CB 1 ATOM 4783 C CG . LEU B 1 256 ? 239.862 74.735 6.687 1.00 70.00 ? 251 LEU B CG 1 ATOM 4784 C CD1 . LEU B 1 256 ? 239.863 74.564 5.174 1.00 71.55 ? 251 LEU B CD1 1 ATOM 4785 C CD2 . LEU B 1 256 ? 241.216 74.390 7.271 1.00 69.84 ? 251 LEU B CD2 1 ATOM 4786 N N . SER B 1 257 ? 239.570 78.650 9.785 1.00 54.44 ? 252 SER B N 1 ATOM 4787 C CA . SER B 1 257 ? 238.945 79.889 10.228 1.00 52.69 ? 252 SER B CA 1 ATOM 4788 C C . SER B 1 257 ? 239.957 80.945 10.645 1.00 60.06 ? 252 SER B C 1 ATOM 4789 O O . SER B 1 257 ? 241.047 80.624 11.117 1.00 62.30 ? 252 SER B O 1 ATOM 4790 C CB . SER B 1 257 ? 237.999 79.610 11.393 1.00 51.49 ? 252 SER B CB 1 ATOM 4791 O OG . SER B 1 257 ? 237.406 80.808 11.859 1.00 55.76 ? 252 SER B OG 1 ATOM 4792 N N . HIS B 1 258 ? 239.582 82.210 10.480 1.00 54.27 ? 253 HIS B N 1 ATOM 4793 C CA . HIS B 1 258 ? 240.380 83.311 10.999 1.00 54.28 ? 253 HIS B CA 1 ATOM 4794 C C . HIS B 1 258 ? 240.407 83.257 12.522 1.00 54.93 ? 253 HIS B C 1 ATOM 4795 O O . HIS B 1 258 ? 241.292 83.827 13.159 1.00 59.23 ? 253 HIS B O 1 ATOM 4796 C CB . HIS B 1 258 ? 239.831 84.656 10.526 1.00 54.91 ? 253 HIS B CB 1 ATOM 4797 C CG . HIS B 1 258 ? 240.069 84.931 9.075 1.00 63.58 ? 253 HIS B CG 1 ATOM 4798 N ND1 . HIS B 1 258 ? 241.192 85.586 8.616 1.00 63.33 ? 253 HIS B ND1 1 ATOM 4799 C CD2 . HIS B 1 258 ? 239.326 84.646 7.979 1.00 63.01 ? 253 HIS B CD2 1 ATOM 4800 C CE1 . HIS B 1 258 ? 241.132 85.689 7.301 1.00 62.03 ? 253 HIS B CE1 1 ATOM 4801 N NE2 . HIS B 1 258 ? 240.010 85.127 6.889 1.00 55.34 ? 253 HIS B NE2 1 ATOM 4802 N N . HIS B 1 259 ? 239.423 82.570 13.097 1.00 43.65 ? 254 HIS B N 1 ATOM 4803 C CA . HIS B 1 259 ? 239.377 82.339 14.535 1.00 50.00 ? 254 HIS B CA 1 ATOM 4804 C C . HIS B 1 259 ? 240.533 81.445 14.968 1.00 52.98 ? 254 HIS B C 1 ATOM 4805 O O . HIS B 1 259 ? 240.985 81.506 16.111 1.00 59.33 ? 254 HIS B O 1 ATOM 4806 C CB . HIS B 1 259 ? 238.043 81.705 14.937 1.00 46.63 ? 254 HIS B CB 1 ATOM 4807 C CG . HIS B 1 259 ? 236.864 82.612 14.764 1.00 46.78 ? 254 HIS B CG 1 ATOM 4808 N ND1 . HIS B 1 259 ? 236.297 83.303 15.814 1.00 47.75 ? 254 HIS B ND1 1 ATOM 4809 C CD2 . HIS B 1 259 ? 236.147 82.943 13.665 1.00 48.14 ? 254 HIS B CD2 1 ATOM 4810 C CE1 . HIS B 1 259 ? 235.281 84.020 15.368 1.00 48.76 ? 254 HIS B CE1 1 ATOM 4811 N NE2 . HIS B 1 259 ? 235.169 83.820 14.067 1.00 51.90 ? 254 HIS B NE2 1 ATOM 4812 N N . ASN B 1 260 ? 241.007 80.621 14.041 1.00 51.28 ? 255 ASN B N 1 ATOM 4813 C CA . ASN B 1 260 ? 242.089 79.680 14.305 1.00 50.13 ? 255 ASN B CA 1 ATOM 4814 C C . ASN B 1 260 ? 243.459 80.308 14.051 1.00 56.18 ? 255 ASN B C 1 ATOM 4815 O O . ASN B 1 260 ? 244.350 79.667 13.500 1.00 55.66 ? 255 ASN B O 1 ATOM 4816 C CB . ASN B 1 260 ? 241.909 78.430 13.434 1.00 50.31 ? 255 ASN B CB 1 ATOM 4817 C CG . ASN B 1 260 ? 242.742 77.250 13.905 1.00 56.71 ? 255 ASN B CG 1 ATOM 4818 O OD1 . ASN B 1 260 ? 243.588 77.379 14.790 1.00 58.11 ? 255 ASN B OD1 1 ATOM 4819 N ND2 . ASN B 1 260 ? 242.511 76.089 13.300 1.00 48.46 ? 255 ASN B ND2 1 ATOM 4820 N N . THR B 1 261 ? 243.626 81.570 14.435 1.00 49.06 ? 256 THR B N 1 ATOM 4821 C CA . THR B 1 261 ? 244.878 82.274 14.167 1.00 49.73 ? 256 THR B CA 1 ATOM 4822 C C . THR B 1 261 ? 245.402 83.048 15.373 1.00 53.76 ? 256 THR B C 1 ATOM 4823 O O . THR B 1 261 ? 244.699 83.240 16.364 1.00 59.30 ? 256 THR B O 1 ATOM 4824 C CB . THR B 1 261 ? 244.731 83.270 12.997 1.00 48.64 ? 256 THR B CB 1 ATOM 4825 O OG1 . THR B 1 261 ? 243.838 84.325 13.374 1.00 54.72 ? 256 THR B OG1 1 ATOM 4826 C CG2 . THR B 1 261 ? 244.204 82.577 11.747 1.00 50.44 ? 256 THR B CG2 1 ATOM 4827 N N . ARG B 1 262 ? 246.649 83.494 15.270 1.00 50.84 ? 257 ARG B N 1 ATOM 4828 C CA . ARG B 1 262 ? 247.261 84.339 16.285 1.00 51.24 ? 257 ARG B CA 1 ATOM 4829 C C . ARG B 1 262 ? 248.428 85.097 15.672 1.00 48.30 ? 257 ARG B C 1 ATOM 4830 O O . ARG B 1 262 ? 249.272 84.499 15.004 1.00 53.21 ? 257 ARG B O 1 ATOM 4831 C CB . ARG B 1 262 ? 247.736 83.511 17.477 1.00 53.16 ? 257 ARG B CB 1 ATOM 4832 C CG . ARG B 1 262 ? 248.196 84.349 18.658 1.00 51.08 ? 257 ARG B CG 1 ATOM 4833 C CD . ARG B 1 262 ? 247.020 84.777 19.518 1.00 54.93 ? 257 ARG B CD 1 ATOM 4834 N NE . ARG B 1 262 ? 247.448 85.479 20.724 1.00 60.92 ? 257 ARG B NE 1 ATOM 4835 C CZ . ARG B 1 262 ? 246.744 85.524 21.851 1.00 60.46 ? 257 ARG B CZ 1 ATOM 4836 N NH1 . ARG B 1 262 ? 245.578 84.898 21.931 1.00 59.78 ? 257 ARG B NH1 1 ATOM 4837 N NH2 . ARG B 1 262 ? 247.207 86.189 22.900 1.00 66.28 ? 257 ARG B NH2 1 ATOM 4838 N N . GLU B 1 263 ? 248.468 86.409 15.895 1.00 59.66 ? 258 GLU B N 1 ATOM 4839 C CA . GLU B 1 263 ? 249.509 87.261 15.324 1.00 67.57 ? 258 GLU B CA 1 ATOM 4840 C C . GLU B 1 263 ? 250.905 86.762 15.671 1.00 65.89 ? 258 GLU B C 1 ATOM 4841 O O . GLU B 1 263 ? 251.219 86.528 16.837 1.00 69.22 ? 258 GLU B O 1 ATOM 4842 C CB . GLU B 1 263 ? 249.354 88.708 15.802 1.00 72.81 ? 258 GLU B CB 1 ATOM 4843 C CG . GLU B 1 263 ? 248.111 89.421 15.292 1.00 86.80 ? 258 GLU B CG 1 ATOM 4844 C CD . GLU B 1 263 ? 248.114 90.902 15.630 1.00 100.34 ? 258 GLU B CD 1 ATOM 4845 O OE1 . GLU B 1 263 ? 249.190 91.426 15.994 1.00 95.39 ? 258 GLU B OE1 1 ATOM 4846 O OE2 . GLU B 1 263 ? 247.043 91.540 15.535 1.00 89.13 ? 258 GLU B OE2 1 ATOM 4847 N N . GLY B 1 264 ? 251.735 86.595 14.648 1.00 50.02 ? 259 GLY B N 1 ATOM 4848 C CA . GLY B 1 264 ? 253.110 86.182 14.847 1.00 51.16 ? 259 GLY B CA 1 ATOM 4849 C C . GLY B 1 264 ? 253.267 84.682 14.980 1.00 50.04 ? 259 GLY B C 1 ATOM 4850 O O . GLY B 1 264 ? 254.305 84.200 15.428 1.00 51.71 ? 259 GLY B O 1 ATOM 4851 N N . TYR B 1 265 ? 252.237 83.937 14.591 1.00 46.09 ? 260 TYR B N 1 ATOM 4852 C CA . TYR B 1 265 ? 252.306 82.482 14.656 1.00 53.14 ? 260 TYR B CA 1 ATOM 4853 C C . TYR B 1 265 ? 251.820 81.831 13.370 1.00 47.31 ? 260 TYR B C 1 ATOM 4854 O O . TYR B 1 265 ? 250.835 82.260 12.772 1.00 56.03 ? 260 TYR B O 1 ATOM 4855 C CB . TYR B 1 265 ? 251.501 81.957 15.848 1.00 54.75 ? 260 TYR B CB 1 ATOM 4856 C CG . TYR B 1 265 ? 252.079 82.354 17.187 1.00 49.68 ? 260 TYR B CG 1 ATOM 4857 C CD1 . TYR B 1 265 ? 253.083 81.604 17.782 1.00 47.34 ? 260 TYR B CD1 1 ATOM 4858 C CD2 . TYR B 1 265 ? 251.624 83.484 17.853 1.00 52.82 ? 260 TYR B CD2 1 ATOM 4859 C CE1 . TYR B 1 265 ? 253.618 81.967 19.005 1.00 62.27 ? 260 TYR B CE1 1 ATOM 4860 C CE2 . TYR B 1 265 ? 252.151 83.855 19.074 1.00 58.88 ? 260 TYR B CE2 1 ATOM 4861 C CZ . TYR B 1 265 ? 253.147 83.095 19.647 1.00 62.99 ? 260 TYR B CZ 1 ATOM 4862 O OH . TYR B 1 265 ? 253.671 83.466 20.864 1.00 55.60 ? 260 TYR B OH 1 ATOM 4863 N N . ARG B 1 266 ? 252.450 80.732 13.020 1.00 57.28 ? 261 ARG B N 1 ATOM 4864 C CA . ARG B 1 266 ? 252.059 79.987 11.863 1.00 60.72 ? 261 ARG B CA 1 ATOM 4865 C C . ARG B 1 266 ? 251.613 78.619 12.273 1.00 55.53 ? 261 ARG B C 1 ATOM 4866 O O . ARG B 1 266 ? 251.559 78.315 13.423 1.00 58.69 ? 261 ARG B O 1 ATOM 4867 C CB . ARG B 1 266 ? 253.212 79.892 10.894 1.00 59.32 ? 261 ARG B CB 1 ATOM 4868 C CG . ARG B 1 266 ? 253.043 80.772 9.685 1.00 61.80 ? 261 ARG B CG 1 ATOM 4869 C CD . ARG B 1 266 ? 254.051 81.884 9.696 1.00 66.42 ? 261 ARG B CD 1 ATOM 4870 N NE . ARG B 1 266 ? 255.383 81.407 9.355 1.00 85.43 ? 261 ARG B NE 1 ATOM 4871 C CZ . ARG B 1 266 ? 256.161 81.946 8.425 1.00 85.39 ? 261 ARG B CZ 1 ATOM 4872 N NH1 . ARG B 1 266 ? 257.351 81.438 8.201 1.00 73.02 ? 261 ARG B NH1 1 ATOM 4873 N NH2 . ARG B 1 266 ? 255.750 82.991 7.724 1.00 87.28 ? 261 ARG B NH2 1 ATOM 4874 N N . THR B 1 267 ? 251.280 77.784 11.323 1.00 56.46 ? 262 THR B N 1 ATOM 4875 C CA . THR B 1 267 ? 250.702 76.488 11.667 1.00 57.18 ? 262 THR B CA 1 ATOM 4876 C C . THR B 1 267 ? 251.654 75.627 12.487 1.00 62.61 ? 262 THR B C 1 ATOM 4877 O O . THR B 1 267 ? 252.800 75.405 12.099 1.00 67.44 ? 262 THR B O 1 ATOM 4878 C CB . THR B 1 267 ? 250.284 75.709 10.411 1.00 58.36 ? 262 THR B CB 1 ATOM 4879 O OG1 . THR B 1 267 ? 249.302 76.462 9.690 1.00 69.35 ? 262 THR B OG1 1 ATOM 4880 C CG2 . THR B 1 267 ? 249.689 74.370 10.796 1.00 59.79 ? 262 THR B CG2 1 ATOM 4881 N N . GLN B 1 268 ? 251.164 75.151 13.626 1.00 57.40 ? 263 GLN B N 1 ATOM 4882 C CA . GLN B 1 268 ? 251.940 74.288 14.503 1.00 54.51 ? 263 GLN B CA 1 ATOM 4883 C C . GLN B 1 268 ? 251.934 72.847 14.007 1.00 55.57 ? 263 GLN B C 1 ATOM 4884 O O . GLN B 1 268 ? 251.401 71.962 14.671 1.00 53.81 ? 263 GLN B O 1 ATOM 4885 C CB . GLN B 1 268 ? 251.391 74.353 15.929 1.00 50.73 ? 263 GLN B CB 1 ATOM 4886 C CG . GLN B 1 268 ? 251.266 75.763 16.479 1.00 53.61 ? 263 GLN B CG 1 ATOM 4887 C CD . GLN B 1 268 ? 252.610 76.434 16.678 1.00 57.34 ? 263 GLN B CD 1 ATOM 4888 O OE1 . GLN B 1 268 ? 253.476 75.919 17.384 1.00 55.53 ? 263 GLN B OE1 1 ATOM 4889 N NE2 . GLN B 1 268 ? 252.793 77.591 16.051 1.00 51.87 ? 263 GLN B NE2 1 ATOM 4890 N N . MET B 1 269 ? 252.524 72.614 12.839 1.00 57.05 ? 264 MET B N 1 ATOM 4891 C CA . MET B 1 269 ? 252.601 71.268 12.279 1.00 60.40 ? 264 MET B CA 1 ATOM 4892 C C . MET B 1 269 ? 253.349 70.324 13.215 1.00 60.27 ? 264 MET B C 1 ATOM 4893 O O . MET B 1 269 ? 252.919 69.194 13.446 1.00 56.85 ? 264 MET B O 1 ATOM 4894 C CB . MET B 1 269 ? 253.285 71.292 10.910 1.00 52.44 ? 264 MET B CB 1 ATOM 4895 C CG . MET B 1 269 ? 252.552 72.104 9.860 1.00 58.86 ? 264 MET B CG 1 ATOM 4896 S SD . MET B 1 269 ? 250.965 71.383 9.400 1.00 66.77 ? 264 MET B SD 1 ATOM 4897 C CE . MET B 1 269 ? 251.481 69.787 8.778 1.00 66.27 ? 264 MET B CE 1 ATOM 4898 N N . LYS B 1 270 ? 254.464 70.803 13.758 1.00 64.80 ? 265 LYS B N 1 ATOM 4899 C CA . LYS B 1 270 ? 255.330 69.980 14.595 1.00 66.31 ? 265 LYS B CA 1 ATOM 4900 C C . LYS B 1 270 ? 255.065 70.184 16.086 1.00 65.70 ? 265 LYS B C 1 ATOM 4901 O O . LYS B 1 270 ? 255.995 70.197 16.892 1.00 68.08 ? 265 LYS B O 1 ATOM 4902 C CB . LYS B 1 270 ? 256.801 70.276 14.289 1.00 71.89 ? 265 LYS B CB 1 ATOM 4903 C CG . LYS B 1 270 ? 257.222 70.021 12.847 1.00 61.06 ? 265 LYS B CG 1 ATOM 4904 C CD . LYS B 1 270 ? 258.636 70.532 12.609 1.00 75.15 ? 265 LYS B CD 1 ATOM 4905 C CE . LYS B 1 270 ? 259.056 70.401 11.154 1.00 77.83 ? 265 LYS B CE 1 ATOM 4906 N NZ . LYS B 1 270 ? 259.312 68.987 10.769 1.00 89.26 ? 265 LYS B NZ 1 ATOM 4907 N N . GLY B 1 271 ? 253.798 70.344 16.452 1.00 64.50 ? 266 GLY B N 1 ATOM 4908 C CA . GLY B 1 271 ? 253.426 70.449 17.850 1.00 59.90 ? 266 GLY B CA 1 ATOM 4909 C C . GLY B 1 271 ? 253.505 69.094 18.525 1.00 63.03 ? 266 GLY B C 1 ATOM 4910 O O . GLY B 1 271 ? 253.747 68.088 17.861 1.00 66.64 ? 266 GLY B O 1 ATOM 4911 N N . PRO B 1 272 ? 253.305 69.056 19.851 1.00 54.53 ? 267 PRO B N 1 ATOM 4912 C CA . PRO B 1 272 ? 253.354 67.803 20.613 1.00 55.89 ? 267 PRO B CA 1 ATOM 4913 C C . PRO B 1 272 ? 252.087 66.974 20.439 1.00 65.96 ? 267 PRO B C 1 ATOM 4914 O O . PRO B 1 272 ? 251.397 66.689 21.420 1.00 66.19 ? 267 PRO B O 1 ATOM 4915 C CB . PRO B 1 272 ? 253.497 68.283 22.056 1.00 55.05 ? 267 PRO B CB 1 ATOM 4916 C CG . PRO B 1 272 ? 252.805 69.599 22.067 1.00 59.68 ? 267 PRO B CG 1 ATOM 4917 C CD . PRO B 1 272 ? 253.068 70.221 20.721 1.00 59.69 ? 267 PRO B CD 1 ATOM 4918 N N . TRP B 1 273 ? 251.800 66.578 19.203 1.00 66.04 ? 268 TRP B N 1 ATOM 4919 C CA . TRP B 1 273 ? 250.541 65.919 18.876 1.00 64.02 ? 268 TRP B CA 1 ATOM 4920 C C . TRP B 1 273 ? 250.539 64.440 19.251 1.00 70.48 ? 268 TRP B C 1 ATOM 4921 O O . TRP B 1 273 ? 249.609 63.708 18.913 1.00 73.69 ? 268 TRP B O 1 ATOM 4922 C CB . TRP B 1 273 ? 250.231 66.078 17.384 1.00 59.28 ? 268 TRP B CB 1 ATOM 4923 C CG . TRP B 1 273 ? 250.327 67.494 16.879 1.00 56.71 ? 268 TRP B CG 1 ATOM 4924 C CD1 . TRP B 1 273 ? 251.086 67.940 15.836 1.00 62.47 ? 268 TRP B CD1 1 ATOM 4925 C CD2 . TRP B 1 273 ? 249.647 68.647 17.399 1.00 52.54 ? 268 TRP B CD2 1 ATOM 4926 N NE1 . TRP B 1 273 ? 250.917 69.294 15.671 1.00 57.69 ? 268 TRP B NE1 1 ATOM 4927 C CE2 . TRP B 1 273 ? 250.039 69.751 16.618 1.00 50.47 ? 268 TRP B CE2 1 ATOM 4928 C CE3 . TRP B 1 273 ? 248.747 68.851 18.446 1.00 54.82 ? 268 TRP B CE3 1 ATOM 4929 C CZ2 . TRP B 1 273 ? 249.559 71.038 16.853 1.00 56.82 ? 268 TRP B CZ2 1 ATOM 4930 C CZ3 . TRP B 1 273 ? 248.269 70.129 18.675 1.00 57.97 ? 268 TRP B CZ3 1 ATOM 4931 C CH2 . TRP B 1 273 ? 248.677 71.206 17.883 1.00 52.19 ? 268 TRP B CH2 1 ATOM 4932 N N . HIS B 1 274 ? 251.582 64.005 19.949 1.00 74.56 ? 269 HIS B N 1 ATOM 4933 C CA . HIS B 1 274 ? 251.664 62.631 20.430 1.00 76.02 ? 269 HIS B CA 1 ATOM 4934 C C . HIS B 1 274 ? 251.005 62.513 21.799 1.00 76.36 ? 269 HIS B C 1 ATOM 4935 O O . HIS B 1 274 ? 250.851 61.416 22.337 1.00 80.53 ? 269 HIS B O 1 ATOM 4936 C CB . HIS B 1 274 ? 253.119 62.176 20.508 1.00 76.09 ? 269 HIS B CB 1 ATOM 4937 C CG . HIS B 1 274 ? 253.945 62.976 21.467 1.00 89.39 ? 269 HIS B CG 1 ATOM 4938 N ND1 . HIS B 1 274 ? 254.633 64.109 21.091 1.00 84.91 ? 269 HIS B ND1 1 ATOM 4939 C CD2 . HIS B 1 274 ? 254.185 62.810 22.789 1.00 84.62 ? 269 HIS B CD2 1 ATOM 4940 C CE1 . HIS B 1 274 ? 255.265 64.605 22.140 1.00 89.75 ? 269 HIS B CE1 1 ATOM 4941 N NE2 . HIS B 1 274 ? 255.010 63.836 23.183 1.00 90.84 ? 269 HIS B NE2 1 ATOM 4942 N N . SER B 1 275 ? 250.620 63.656 22.355 1.00 64.48 ? 270 SER B N 1 ATOM 4943 C CA . SER B 1 275 ? 250.045 63.714 23.692 1.00 66.08 ? 270 SER B CA 1 ATOM 4944 C C . SER B 1 275 ? 248.639 63.127 23.741 1.00 74.14 ? 270 SER B C 1 ATOM 4945 O O . SER B 1 275 ? 247.907 63.149 22.750 1.00 68.16 ? 270 SER B O 1 ATOM 4946 C CB . SER B 1 275 ? 250.014 65.159 24.191 1.00 65.37 ? 270 SER B CB 1 ATOM 4947 O OG . SER B 1 275 ? 251.257 65.803 23.976 1.00 71.32 ? 270 SER B OG 1 ATOM 4948 N N . GLU B 1 276 ? 248.273 62.603 24.906 1.00 92.30 ? 271 GLU B N 1 ATOM 4949 C CA . GLU B 1 276 ? 246.925 62.106 25.147 1.00 89.25 ? 271 GLU B CA 1 ATOM 4950 C C . GLU B 1 276 ? 245.926 63.252 25.130 1.00 87.43 ? 271 GLU B C 1 ATOM 4951 O O . GLU B 1 276 ? 244.793 63.102 24.673 1.00 80.03 ? 271 GLU B O 1 ATOM 4952 C CB . GLU B 1 276 ? 246.849 61.380 26.493 1.00 91.99 ? 271 GLU B CB 1 ATOM 4953 C CG . GLU B 1 276 ? 247.760 60.177 26.615 1.00 108.44 ? 271 GLU B CG 1 ATOM 4954 C CD . GLU B 1 276 ? 247.284 59.007 25.783 1.00 115.71 ? 271 GLU B CD 1 ATOM 4955 O OE1 . GLU B 1 276 ? 246.529 58.168 26.317 1.00 121.80 ? 271 GLU B OE1 1 ATOM 4956 O OE2 . GLU B 1 276 ? 247.661 58.928 24.595 1.00 113.37 ? 271 GLU B OE2 1 ATOM 4957 N N . GLU B 1 277 ? 246.369 64.402 25.627 1.00 68.52 ? 272 GLU B N 1 ATOM 4958 C CA . GLU B 1 277 ? 245.486 65.528 25.882 1.00 68.55 ? 272 GLU B CA 1 ATOM 4959 C C . GLU B 1 277 ? 246.293 66.809 26.050 1.00 74.79 ? 272 GLU B C 1 ATOM 4960 O O . GLU B 1 277 ? 247.238 66.859 26.834 1.00 80.11 ? 272 GLU B O 1 ATOM 4961 C CB . GLU B 1 277 ? 244.645 65.251 27.127 1.00 72.38 ? 272 GLU B CB 1 ATOM 4962 C CG . GLU B 1 277 ? 243.889 66.437 27.683 1.00 75.84 ? 272 GLU B CG 1 ATOM 4963 C CD . GLU B 1 277 ? 243.255 66.117 29.022 1.00 74.78 ? 272 GLU B CD 1 ATOM 4964 O OE1 . GLU B 1 277 ? 243.489 65.003 29.533 1.00 86.73 ? 272 GLU B OE1 1 ATOM 4965 O OE2 . GLU B 1 277 ? 242.524 66.970 29.564 1.00 75.74 ? 272 GLU B OE2 1 ATOM 4966 N N . LEU B 1 278 ? 245.921 67.842 25.305 1.00 71.19 ? 273 LEU B N 1 ATOM 4967 C CA . LEU B 1 278 ? 246.659 69.098 25.320 1.00 67.02 ? 273 LEU B CA 1 ATOM 4968 C C . LEU B 1 278 ? 245.776 70.276 25.685 1.00 66.55 ? 273 LEU B C 1 ATOM 4969 O O . LEU B 1 278 ? 244.578 70.277 25.407 1.00 68.29 ? 273 LEU B O 1 ATOM 4970 C CB . LEU B 1 278 ? 247.299 69.356 23.956 1.00 61.87 ? 273 LEU B CB 1 ATOM 4971 C CG . LEU B 1 278 ? 248.486 68.489 23.549 1.00 67.19 ? 273 LEU B CG 1 ATOM 4972 C CD1 . LEU B 1 278 ? 248.792 68.675 22.071 1.00 57.47 ? 273 LEU B CD1 1 ATOM 4973 C CD2 . LEU B 1 278 ? 249.699 68.821 24.407 1.00 72.48 ? 273 LEU B CD2 1 ATOM 4974 N N . GLU B 1 279 ? 246.375 71.283 26.307 1.00 65.58 ? 274 GLU B N 1 ATOM 4975 C CA . GLU B 1 279 ? 245.698 72.557 26.485 1.00 69.06 ? 274 GLU B CA 1 ATOM 4976 C C . GLU B 1 279 ? 246.548 73.669 25.885 1.00 72.35 ? 274 GLU B C 1 ATOM 4977 O O . GLU B 1 279 ? 247.515 74.130 26.495 1.00 74.62 ? 274 GLU B O 1 ATOM 4978 C CB . GLU B 1 279 ? 245.410 72.840 27.960 1.00 73.73 ? 274 GLU B CB 1 ATOM 4979 C CG . GLU B 1 279 ? 244.261 73.819 28.167 1.00 72.78 ? 274 GLU B CG 1 ATOM 4980 C CD . GLU B 1 279 ? 244.596 74.926 29.147 1.00 83.49 ? 274 GLU B CD 1 ATOM 4981 O OE1 . GLU B 1 279 ? 245.483 74.719 30.001 1.00 85.59 ? 274 GLU B OE1 1 ATOM 4982 O OE2 . GLU B 1 279 ? 243.974 76.008 29.057 1.00 82.77 ? 274 GLU B OE2 1 ATOM 4983 N N . ILE B 1 280 ? 246.191 74.072 24.671 1.00 60.13 ? 275 ILE B N 1 ATOM 4984 C CA . ILE B 1 280 ? 246.841 75.185 24.001 1.00 55.48 ? 275 ILE B CA 1 ATOM 4985 C C . ILE B 1 280 ? 246.450 76.483 24.689 1.00 59.58 ? 275 ILE B C 1 ATOM 4986 O O . ILE B 1 280 ? 245.281 76.863 24.703 1.00 61.79 ? 275 ILE B O 1 ATOM 4987 C CB . ILE B 1 280 ? 246.463 75.245 22.512 1.00 54.62 ? 275 ILE B CB 1 ATOM 4988 C CG1 . ILE B 1 280 ? 246.747 73.899 21.844 1.00 55.47 ? 275 ILE B CG1 1 ATOM 4989 C CG2 . ILE B 1 280 ? 247.212 76.368 21.815 1.00 50.88 ? 275 ILE B CG2 1 ATOM 4990 C CD1 . ILE B 1 280 ? 246.377 73.851 20.381 1.00 58.82 ? 275 ILE B CD1 1 ATOM 4991 N N . ARG B 1 281 ? 247.434 77.155 25.270 1.00 69.91 ? 276 ARG B N 1 ATOM 4992 C CA . ARG B 1 281 ? 247.184 78.360 26.043 1.00 72.37 ? 276 ARG B CA 1 ATOM 4993 C C . ARG B 1 281 ? 248.229 79.412 25.713 1.00 69.02 ? 276 ARG B C 1 ATOM 4994 O O . ARG B 1 281 ? 249.347 79.084 25.317 1.00 75.72 ? 276 ARG B O 1 ATOM 4995 C CB . ARG B 1 281 ? 247.192 78.038 27.541 1.00 77.23 ? 276 ARG B CB 1 ATOM 4996 C CG . ARG B 1 281 ? 246.446 79.034 28.411 1.00 88.19 ? 276 ARG B CG 1 ATOM 4997 C CD . ARG B 1 281 ? 246.111 78.426 29.768 1.00 91.37 ? 276 ARG B CD 1 ATOM 4998 N NE . ARG B 1 281 ? 247.293 78.245 30.606 1.00 93.71 ? 276 ARG B NE 1 ATOM 4999 C CZ . ARG B 1 281 ? 247.353 77.420 31.648 1.00 98.46 ? 276 ARG B CZ 1 ATOM 5000 N NH1 . ARG B 1 281 ? 246.300 76.683 31.977 1.00 94.12 ? 276 ARG B NH1 1 ATOM 5001 N NH2 . ARG B 1 281 ? 248.470 77.323 32.357 1.00 97.82 ? 276 ARG B NH2 1 ATOM 5002 N N . PHE B 1 282 ? 247.865 80.678 25.861 1.00 53.05 ? 277 PHE B N 1 ATOM 5003 C CA . PHE B 1 282 ? 248.817 81.751 25.633 1.00 49.18 ? 277 PHE B CA 1 ATOM 5004 C C . PHE B 1 282 ? 249.304 82.303 26.963 1.00 58.63 ? 277 PHE B C 1 ATOM 5005 O O . PHE B 1 282 ? 248.797 83.300 27.477 1.00 60.51 ? 277 PHE B O 1 ATOM 5006 C CB . PHE B 1 282 ? 248.199 82.836 24.755 1.00 46.62 ? 277 PHE B CB 1 ATOM 5007 C CG . PHE B 1 282 ? 248.032 82.408 23.330 1.00 55.36 ? 277 PHE B CG 1 ATOM 5008 C CD1 . PHE B 1 282 ? 246.813 81.944 22.869 1.00 56.59 ? 277 PHE B CD1 1 ATOM 5009 C CD2 . PHE B 1 282 ? 249.110 82.423 22.461 1.00 51.71 ? 277 PHE B CD2 1 ATOM 5010 C CE1 . PHE B 1 282 ? 246.666 81.529 21.559 1.00 52.70 ? 277 PHE B CE1 1 ATOM 5011 C CE2 . PHE B 1 282 ? 248.969 82.009 21.151 1.00 42.13 ? 277 PHE B CE2 1 ATOM 5012 C CZ . PHE B 1 282 ? 247.746 81.561 20.700 1.00 46.42 ? 277 PHE B CZ 1 ATOM 5013 N N . GLU B 1 283 ? 250.299 81.614 27.509 1.00 63.28 ? 278 GLU B N 1 ATOM 5014 C CA . GLU B 1 283 ? 250.872 81.933 28.805 1.00 65.11 ? 278 GLU B CA 1 ATOM 5015 C C . GLU B 1 283 ? 252.250 81.297 28.891 1.00 68.08 ? 278 GLU B C 1 ATOM 5016 O O . GLU B 1 283 ? 252.467 80.213 28.348 1.00 71.91 ? 278 GLU B O 1 ATOM 5017 C CB . GLU B 1 283 ? 249.973 81.429 29.935 1.00 66.05 ? 278 GLU B CB 1 ATOM 5018 C CG . GLU B 1 283 ? 250.412 81.847 31.325 1.00 69.18 ? 278 GLU B CG 1 ATOM 5019 C CD . GLU B 1 283 ? 249.553 81.235 32.412 1.00 80.93 ? 278 GLU B CD 1 ATOM 5020 O OE1 . GLU B 1 283 ? 249.153 81.968 33.341 1.00 88.13 ? 278 GLU B OE1 1 ATOM 5021 O OE2 . GLU B 1 283 ? 249.282 80.019 32.339 1.00 86.25 ? 278 GLU B OE2 1 ATOM 5022 N N . GLU B 1 284 ? 253.181 81.970 29.557 1.00 66.67 ? 279 GLU B N 1 ATOM 5023 C CA . GLU B 1 284 ? 254.528 81.438 29.710 1.00 65.82 ? 279 GLU B CA 1 ATOM 5024 C C . GLU B 1 284 ? 254.508 80.143 30.514 1.00 61.35 ? 279 GLU B C 1 ATOM 5025 O O . GLU B 1 284 ? 253.740 80.006 31.467 1.00 64.96 ? 279 GLU B O 1 ATOM 5026 C CB . GLU B 1 284 ? 255.440 82.467 30.381 1.00 62.54 ? 279 GLU B CB 1 ATOM 5027 C CG . GLU B 1 284 ? 255.486 83.807 29.660 1.00 77.12 ? 279 GLU B CG 1 ATOM 5028 C CD . GLU B 1 284 ? 256.574 84.726 30.182 1.00 84.44 ? 279 GLU B CD 1 ATOM 5029 O OE1 . GLU B 1 284 ? 257.089 85.544 29.391 1.00 85.09 ? 279 GLU B OE1 1 ATOM 5030 O OE2 . GLU B 1 284 ? 256.914 84.635 31.381 1.00 87.09 ? 279 GLU B OE2 1 ATOM 5031 N N . CYS B 1 285 ? 255.335 79.185 30.108 1.00 72.00 ? 280 CYS B N 1 ATOM 5032 C CA . CYS B 1 285 ? 255.506 77.957 30.872 1.00 72.58 ? 280 CYS B CA 1 ATOM 5033 C C . CYS B 1 285 ? 256.019 78.315 32.262 1.00 76.19 ? 280 CYS B C 1 ATOM 5034 O O . CYS B 1 285 ? 256.809 79.249 32.403 1.00 75.30 ? 280 CYS B O 1 ATOM 5035 C CB . CYS B 1 285 ? 256.470 77.003 30.163 1.00 72.75 ? 280 CYS B CB 1 ATOM 5036 S SG . CYS B 1 285 ? 255.886 76.399 28.565 1.00 73.65 ? 280 CYS B SG 1 ATOM 5037 N N . PRO B 1 286 ? 255.563 77.584 33.292 1.00 69.46 ? 281 PRO B N 1 ATOM 5038 C CA . PRO B 1 286 ? 255.900 77.897 34.687 1.00 61.89 ? 281 PRO B CA 1 ATOM 5039 C C . PRO B 1 286 ? 257.401 78.020 34.931 1.00 71.36 ? 281 PRO B C 1 ATOM 5040 O O . PRO B 1 286 ? 258.142 77.061 34.720 1.00 76.17 ? 281 PRO B O 1 ATOM 5041 C CB . PRO B 1 286 ? 255.318 76.710 35.467 1.00 56.70 ? 281 PRO B CB 1 ATOM 5042 C CG . PRO B 1 286 ? 255.090 75.638 34.449 1.00 67.01 ? 281 PRO B CG 1 ATOM 5043 C CD . PRO B 1 286 ? 254.750 76.362 33.189 1.00 68.27 ? 281 PRO B CD 1 ATOM 5044 N N . GLY B 1 287 ? 257.834 79.201 35.360 1.00 74.89 ? 282 GLY B N 1 ATOM 5045 C CA . GLY B 1 287 ? 259.231 79.442 35.667 1.00 68.50 ? 282 GLY B CA 1 ATOM 5046 C C . GLY B 1 287 ? 260.015 80.002 34.498 1.00 73.01 ? 282 GLY B C 1 ATOM 5047 O O . GLY B 1 287 ? 261.142 80.470 34.664 1.00 83.97 ? 282 GLY B O 1 ATOM 5048 N N . THR B 1 288 ? 259.416 79.962 33.312 1.00 69.13 ? 283 THR B N 1 ATOM 5049 C CA . THR B 1 288 ? 260.096 80.405 32.100 1.00 67.39 ? 283 THR B CA 1 ATOM 5050 C C . THR B 1 288 ? 259.734 81.838 31.726 1.00 67.63 ? 283 THR B C 1 ATOM 5051 O O . THR B 1 288 ? 258.729 82.379 32.186 1.00 70.58 ? 283 THR B O 1 ATOM 5052 C CB . THR B 1 288 ? 259.769 79.488 30.905 1.00 62.70 ? 283 THR B CB 1 ATOM 5053 O OG1 . THR B 1 288 ? 258.408 79.687 30.506 1.00 68.56 ? 283 THR B OG1 1 ATOM 5054 C CG2 . THR B 1 288 ? 259.976 78.029 31.278 1.00 66.49 ? 283 THR B CG2 1 ATOM 5055 N N . LYS B 1 289 ? 260.574 82.445 30.893 1.00 74.32 ? 284 LYS B N 1 ATOM 5056 C CA . LYS B 1 289 ? 260.328 83.776 30.349 1.00 77.06 ? 284 LYS B CA 1 ATOM 5057 C C . LYS B 1 289 ? 260.628 83.764 28.854 1.00 77.32 ? 284 LYS B C 1 ATOM 5058 O O . LYS B 1 289 ? 261.451 82.979 28.398 1.00 73.34 ? 284 LYS B O 1 ATOM 5059 C CB . LYS B 1 289 ? 261.185 84.825 31.057 1.00 81.04 ? 284 LYS B CB 1 ATOM 5060 C CG . LYS B 1 289 ? 260.870 85.003 32.534 1.00 97.18 ? 284 LYS B CG 1 ATOM 5061 C CD . LYS B 1 289 ? 261.934 85.842 33.222 1.00 109.09 ? 284 LYS B CD 1 ATOM 5062 C CE . LYS B 1 289 ? 263.292 85.161 33.149 1.00 109.48 ? 284 LYS B CE 1 ATOM 5063 N NZ . LYS B 1 289 ? 264.374 86.002 33.729 1.00 118.79 ? 284 LYS B NZ 1 ATOM 5064 N N . VAL B 1 290 ? 259.959 84.620 28.090 1.00 71.00 ? 285 VAL B N 1 ATOM 5065 C CA . VAL B 1 290 ? 260.164 84.653 26.644 1.00 65.25 ? 285 VAL B CA 1 ATOM 5066 C C . VAL B 1 290 ? 260.441 86.069 26.154 1.00 69.65 ? 285 VAL B C 1 ATOM 5067 O O . VAL B 1 290 ? 259.741 87.010 26.529 1.00 70.21 ? 285 VAL B O 1 ATOM 5068 C CB . VAL B 1 290 ? 258.944 84.089 25.883 1.00 62.28 ? 285 VAL B CB 1 ATOM 5069 C CG1 . VAL B 1 290 ? 259.170 84.165 24.382 1.00 65.37 ? 285 VAL B CG1 1 ATOM 5070 C CG2 . VAL B 1 290 ? 258.664 82.656 26.305 1.00 56.79 ? 285 VAL B CG2 1 ATOM 5071 N N . HIS B 1 291 ? 261.465 86.217 25.319 1.00 80.39 ? 286 HIS B N 1 ATOM 5072 C CA . HIS B 1 291 ? 261.806 87.521 24.758 1.00 83.76 ? 286 HIS B CA 1 ATOM 5073 C C . HIS B 1 291 ? 261.596 87.559 23.246 1.00 84.36 ? 286 HIS B C 1 ATOM 5074 O O . HIS B 1 291 ? 261.820 86.571 22.553 1.00 83.82 ? 286 HIS B O 1 ATOM 5075 C CB . HIS B 1 291 ? 263.254 87.885 25.096 1.00 91.51 ? 286 HIS B CB 1 ATOM 5076 C CG . HIS B 1 291 ? 263.487 88.149 26.551 1.00 101.07 ? 286 HIS B CG 1 ATOM 5077 N ND1 . HIS B 1 291 ? 263.546 87.143 27.491 1.00 94.80 ? 286 HIS B ND1 1 ATOM 5078 C CD2 . HIS B 1 291 ? 263.672 89.307 27.228 1.00 108.37 ? 286 HIS B CD2 1 ATOM 5079 C CE1 . HIS B 1 291 ? 263.759 87.669 28.684 1.00 104.87 ? 286 HIS B CE1 1 ATOM 5080 N NE2 . HIS B 1 291 ? 263.839 88.981 28.552 1.00 112.60 ? 286 HIS B NE2 1 ATOM 5081 N N . VAL B 1 292 ? 261.161 88.706 22.737 1.00 67.58 ? 287 VAL B N 1 ATOM 5082 C CA . VAL B 1 292 ? 260.985 88.873 21.300 1.00 66.06 ? 287 VAL B CA 1 ATOM 5083 C C . VAL B 1 292 ? 262.235 89.503 20.690 1.00 71.14 ? 287 VAL B C 1 ATOM 5084 O O . VAL B 1 292 ? 262.409 90.722 20.720 1.00 70.97 ? 287 VAL B O 1 ATOM 5085 C CB . VAL B 1 292 ? 259.750 89.736 20.974 1.00 63.35 ? 287 VAL B CB 1 ATOM 5086 C CG1 . VAL B 1 292 ? 259.554 89.835 19.470 1.00 61.10 ? 287 VAL B CG1 1 ATOM 5087 C CG2 . VAL B 1 292 ? 258.511 89.151 21.634 1.00 57.78 ? 287 VAL B CG2 1 ATOM 5088 N N . GLU B 1 293 ? 263.107 88.656 20.150 1.00 65.62 ? 288 GLU B N 1 ATOM 5089 C CA . GLU B 1 293 ? 264.371 89.096 19.568 1.00 65.19 ? 288 GLU B CA 1 ATOM 5090 C C . GLU B 1 293 ? 264.558 88.515 18.172 1.00 73.16 ? 288 GLU B C 1 ATOM 5091 O O . GLU B 1 293 ? 264.330 87.325 17.955 1.00 76.93 ? 288 GLU B O 1 ATOM 5092 C CB . GLU B 1 293 ? 265.547 88.677 20.453 1.00 69.50 ? 288 GLU B CB 1 ATOM 5093 C CG . GLU B 1 293 ? 265.372 88.986 21.927 1.00 76.80 ? 288 GLU B CG 1 ATOM 5094 C CD . GLU B 1 293 ? 266.328 88.197 22.797 1.00 82.05 ? 288 GLU B CD 1 ATOM 5095 O OE1 . GLU B 1 293 ? 266.862 87.175 22.317 1.00 72.92 ? 288 GLU B OE1 1 ATOM 5096 O OE2 . GLU B 1 293 ? 266.546 88.599 23.958 1.00 93.23 ? 288 GLU B OE2 1 ATOM 5097 N N . GLU B 1 294 ? 264.992 89.347 17.231 1.00 76.16 ? 289 GLU B N 1 ATOM 5098 C CA . GLU B 1 294 ? 265.230 88.890 15.865 1.00 75.36 ? 289 GLU B CA 1 ATOM 5099 C C . GLU B 1 294 ? 266.504 88.056 15.755 1.00 74.84 ? 289 GLU B C 1 ATOM 5100 O O . GLU B 1 294 ? 266.828 87.547 14.683 1.00 78.20 ? 289 GLU B O 1 ATOM 5101 C CB . GLU B 1 294 ? 265.305 90.081 14.907 1.00 77.86 ? 289 GLU B CB 1 ATOM 5102 C CG . GLU B 1 294 ? 263.957 90.691 14.545 1.00 75.83 ? 289 GLU B CG 1 ATOM 5103 C CD . GLU B 1 294 ? 263.236 89.926 13.447 1.00 77.09 ? 289 GLU B CD 1 ATOM 5104 O OE1 . GLU B 1 294 ? 263.015 88.708 13.605 1.00 78.48 ? 289 GLU B OE1 1 ATOM 5105 O OE2 . GLU B 1 294 ? 262.891 90.545 12.420 1.00 89.86 ? 289 GLU B OE2 1 ATOM 5106 N N . THR B 1 295 ? 267.223 87.918 16.865 1.00 69.96 ? 290 THR B N 1 ATOM 5107 C CA . THR B 1 295 ? 268.455 87.138 16.892 1.00 72.90 ? 290 THR B CA 1 ATOM 5108 C C . THR B 1 295 ? 268.196 85.711 17.359 1.00 70.43 ? 290 THR B C 1 ATOM 5109 O O . THR B 1 295 ? 269.105 84.882 17.386 1.00 74.37 ? 290 THR B O 1 ATOM 5110 C CB . THR B 1 295 ? 269.509 87.774 17.814 1.00 73.20 ? 290 THR B CB 1 ATOM 5111 O OG1 . THR B 1 295 ? 269.045 87.734 19.169 1.00 76.87 ? 290 THR B OG1 1 ATOM 5112 C CG2 . THR B 1 295 ? 269.772 89.217 17.410 1.00 66.98 ? 290 THR B CG2 1 ATOM 5113 N N . CYS B 1 296 ? 266.951 85.430 17.728 1.00 83.63 ? 291 CYS B N 1 ATOM 5114 C CA . CYS B 1 296 ? 266.575 84.104 18.203 1.00 80.00 ? 291 CYS B CA 1 ATOM 5115 C C . CYS B 1 296 ? 266.669 83.065 17.091 1.00 75.14 ? 291 CYS B C 1 ATOM 5116 O O . CYS B 1 296 ? 266.887 83.403 15.928 1.00 79.48 ? 291 CYS B O 1 ATOM 5117 C CB . CYS B 1 296 ? 265.159 84.124 18.780 1.00 70.69 ? 291 CYS B CB 1 ATOM 5118 S SG . CYS B 1 296 ? 264.627 82.540 19.463 1.00 80.49 ? 291 CYS B SG 1 ATOM 5119 N N . GLY B 1 297 ? 266.505 81.799 17.454 1.00 63.02 ? 292 GLY B N 1 ATOM 5120 C CA . GLY B 1 297 ? 266.550 80.722 16.484 1.00 57.30 ? 292 GLY B CA 1 ATOM 5121 C C . GLY B 1 297 ? 265.332 80.716 15.583 1.00 60.57 ? 292 GLY B C 1 ATOM 5122 O O . GLY B 1 297 ? 264.317 81.335 15.897 1.00 68.32 ? 292 GLY B O 1 ATOM 5123 N N . THR B 1 298 ? 265.437 80.025 14.452 1.00 77.27 ? 293 THR B N 1 ATOM 5124 C CA . THR B 1 298 ? 264.303 79.869 13.550 1.00 71.01 ? 293 THR B CA 1 ATOM 5125 C C . THR B 1 298 ? 263.311 78.876 14.137 1.00 68.91 ? 293 THR B C 1 ATOM 5126 O O . THR B 1 298 ? 263.664 78.083 15.009 1.00 74.03 ? 293 THR B O 1 ATOM 5127 C CB . THR B 1 298 ? 264.736 79.386 12.155 1.00 64.89 ? 293 THR B CB 1 ATOM 5128 O OG1 . THR B 1 298 ? 265.469 78.160 12.277 1.00 66.95 ? 293 THR B OG1 1 ATOM 5129 C CG2 . THR B 1 298 ? 265.606 80.427 11.477 1.00 70.78 ? 293 THR B CG2 1 ATOM 5130 N N . ARG B 1 299 ? 262.073 78.921 13.658 1.00 56.39 ? 294 ARG B N 1 ATOM 5131 C CA . ARG B 1 299 ? 261.047 78.006 14.140 1.00 62.85 ? 294 ARG B CA 1 ATOM 5132 C C . ARG B 1 299 ? 261.387 76.560 13.790 1.00 64.99 ? 294 ARG B C 1 ATOM 5133 O O . ARG B 1 299 ? 261.863 76.268 12.693 1.00 65.25 ? 294 ARG B O 1 ATOM 5134 C CB . ARG B 1 299 ? 259.674 78.380 13.572 1.00 64.97 ? 294 ARG B CB 1 ATOM 5135 C CG . ARG B 1 299 ? 259.646 78.612 12.067 1.00 77.49 ? 294 ARG B CG 1 ATOM 5136 C CD . ARG B 1 299 ? 258.402 77.991 11.448 1.00 65.74 ? 294 ARG B CD 1 ATOM 5137 N NE . ARG B 1 299 ? 257.207 78.246 12.247 1.00 67.20 ? 294 ARG B NE 1 ATOM 5138 C CZ . ARG B 1 299 ? 256.054 77.600 12.096 1.00 71.90 ? 294 ARG B CZ 1 ATOM 5139 N NH1 . ARG B 1 299 ? 255.018 77.895 12.869 1.00 68.23 ? 294 ARG B NH1 1 ATOM 5140 N NH2 . ARG B 1 299 ? 255.936 76.654 11.174 1.00 66.27 ? 294 ARG B NH2 1 ATOM 5141 N N . GLY B 1 300 ? 261.148 75.662 14.740 1.00 48.25 ? 295 GLY B N 1 ATOM 5142 C CA . GLY B 1 300 ? 261.415 74.249 14.551 1.00 49.38 ? 295 GLY B CA 1 ATOM 5143 C C . GLY B 1 300 ? 260.425 73.406 15.329 1.00 61.65 ? 295 GLY B C 1 ATOM 5144 O O . GLY B 1 300 ? 259.382 73.910 15.744 1.00 56.06 ? 295 GLY B O 1 ATOM 5145 N N . PRO B 1 301 ? 260.745 72.117 15.528 1.00 58.97 ? 296 PRO B N 1 ATOM 5146 C CA . PRO B 1 301 ? 259.893 71.201 16.294 1.00 54.09 ? 296 PRO B CA 1 ATOM 5147 C C . PRO B 1 301 ? 259.597 71.743 17.686 1.00 58.90 ? 296 PRO B C 1 ATOM 5148 O O . PRO B 1 301 ? 260.484 72.326 18.307 1.00 59.12 ? 296 PRO B O 1 ATOM 5149 C CB . PRO B 1 301 ? 260.732 69.924 16.374 1.00 54.39 ? 296 PRO B CB 1 ATOM 5150 C CG . PRO B 1 301 ? 261.631 69.993 15.196 1.00 56.25 ? 296 PRO B CG 1 ATOM 5151 C CD . PRO B 1 301 ? 261.950 71.446 15.016 1.00 57.92 ? 296 PRO B CD 1 ATOM 5152 N N . SER B 1 302 ? 258.369 71.566 18.159 1.00 67.51 ? 297 SER B N 1 ATOM 5153 C CA . SER B 1 302 ? 257.985 72.066 19.473 1.00 67.62 ? 297 SER B CA 1 ATOM 5154 C C . SER B 1 302 ? 258.838 71.431 20.563 1.00 63.00 ? 297 SER B C 1 ATOM 5155 O O . SER B 1 302 ? 258.954 70.210 20.644 1.00 58.91 ? 297 SER B O 1 ATOM 5156 C CB . SER B 1 302 ? 256.504 71.803 19.744 1.00 61.55 ? 297 SER B CB 1 ATOM 5157 O OG . SER B 1 302 ? 256.124 72.343 20.998 1.00 61.46 ? 297 SER B OG 1 ATOM 5158 N N . LEU B 1 303 ? 259.439 72.274 21.394 1.00 64.50 ? 298 LEU B N 1 ATOM 5159 C CA . LEU B 1 303 ? 260.316 71.807 22.456 1.00 65.87 ? 298 LEU B CA 1 ATOM 5160 C C . LEU B 1 303 ? 259.618 71.903 23.804 1.00 64.64 ? 298 LEU B C 1 ATOM 5161 O O . LEU B 1 303 ? 258.771 72.773 24.013 1.00 64.33 ? 298 LEU B O 1 ATOM 5162 C CB . LEU B 1 303 ? 261.612 72.617 22.471 1.00 67.18 ? 298 LEU B CB 1 ATOM 5163 C CG . LEU B 1 303 ? 262.259 72.829 21.101 1.00 64.11 ? 298 LEU B CG 1 ATOM 5164 C CD1 . LEU B 1 303 ? 263.420 73.794 21.202 1.00 64.37 ? 298 LEU B CD1 1 ATOM 5165 C CD2 . LEU B 1 303 ? 262.719 71.509 20.519 1.00 67.12 ? 298 LEU B CD2 1 ATOM 5166 N N . ARG B 1 304 ? 259.973 71.006 24.717 1.00 56.31 ? 299 ARG B N 1 ATOM 5167 C CA . ARG B 1 304 ? 259.376 71.000 26.046 1.00 59.40 ? 299 ARG B CA 1 ATOM 5168 C C . ARG B 1 304 ? 260.176 71.888 26.997 1.00 60.26 ? 299 ARG B C 1 ATOM 5169 O O . ARG B 1 304 ? 261.387 72.047 26.843 1.00 60.71 ? 299 ARG B O 1 ATOM 5170 C CB . ARG B 1 304 ? 259.292 69.570 26.588 1.00 61.20 ? 299 ARG B CB 1 ATOM 5171 C CG . ARG B 1 304 ? 258.305 69.390 27.731 1.00 61.15 ? 299 ARG B CG 1 ATOM 5172 C CD . ARG B 1 304 ? 258.249 67.942 28.183 1.00 59.02 ? 299 ARG B CD 1 ATOM 5173 N NE . ARG B 1 304 ? 259.522 67.503 28.746 1.00 69.47 ? 299 ARG B NE 1 ATOM 5174 C CZ . ARG B 1 304 ? 259.811 66.242 29.055 1.00 72.98 ? 299 ARG B CZ 1 ATOM 5175 N NH1 . ARG B 1 304 ? 258.917 65.283 28.852 1.00 61.74 ? 299 ARG B NH1 1 ATOM 5176 N NH2 . ARG B 1 304 ? 260.998 65.940 29.563 1.00 69.55 ? 299 ARG B NH2 1 ATOM 5177 N N . SER B 1 305 ? 259.492 72.467 27.978 1.00 63.45 ? 300 SER B N 1 ATOM 5178 C CA . SER B 1 305 ? 260.135 73.350 28.944 1.00 62.84 ? 300 SER B CA 1 ATOM 5179 C C . SER B 1 305 ? 261.103 72.591 29.847 1.00 65.11 ? 300 SER B C 1 ATOM 5180 O O . SER B 1 305 ? 261.982 73.190 30.465 1.00 70.44 ? 300 SER B O 1 ATOM 5181 C CB . SER B 1 305 ? 259.087 74.068 29.796 1.00 57.81 ? 300 SER B CB 1 ATOM 5182 O OG . SER B 1 305 ? 258.366 73.147 30.596 1.00 66.31 ? 300 SER B OG 1 ATOM 5183 N N . THR B 1 306 ? 260.935 71.275 29.927 1.00 71.31 ? 301 THR B N 1 ATOM 5184 C CA . THR B 1 306 ? 261.831 70.442 30.720 1.00 78.93 ? 301 THR B CA 1 ATOM 5185 C C . THR B 1 306 ? 262.611 69.478 29.836 1.00 82.00 ? 301 THR B C 1 ATOM 5186 O O . THR B 1 306 ? 262.073 68.937 28.870 1.00 88.09 ? 301 THR B O 1 ATOM 5187 C CB . THR B 1 306 ? 261.069 69.630 31.786 1.00 71.98 ? 301 THR B CB 1 ATOM 5188 O OG1 . THR B 1 306 ? 260.193 68.693 31.146 1.00 75.02 ? 301 THR B OG1 1 ATOM 5189 C CG2 . THR B 1 306 ? 260.258 70.550 32.679 1.00 65.92 ? 301 THR B CG2 1 ATOM 5190 N N . THR B 1 307 ? 263.880 69.265 30.166 1.00 74.35 ? 302 THR B N 1 ATOM 5191 C CA . THR B 1 307 ? 264.687 68.283 29.454 1.00 84.40 ? 302 THR B CA 1 ATOM 5192 C C . THR B 1 307 ? 264.316 66.884 29.920 1.00 84.34 ? 302 THR B C 1 ATOM 5193 O O . THR B 1 307 ? 263.475 66.721 30.804 1.00 82.18 ? 302 THR B O 1 ATOM 5194 C CB . THR B 1 307 ? 266.194 68.502 29.669 1.00 86.00 ? 302 THR B CB 1 ATOM 5195 O OG1 . THR B 1 307 ? 266.521 68.275 31.046 1.00 93.84 ? 302 THR B OG1 1 ATOM 5196 C CG2 . THR B 1 307 ? 266.589 69.913 29.279 1.00 75.11 ? 302 THR B CG2 1 ATOM 5197 N N . ALA B 1 308 ? 264.958 65.879 29.333 1.00 77.26 ? 303 ALA B N 1 ATOM 5198 C CA . ALA B 1 308 ? 264.703 64.490 29.698 1.00 68.30 ? 303 ALA B CA 1 ATOM 5199 C C . ALA B 1 308 ? 265.089 64.227 31.149 1.00 77.21 ? 303 ALA B C 1 ATOM 5200 O O . ALA B 1 308 ? 264.648 63.251 31.755 1.00 85.37 ? 303 ALA B O 1 ATOM 5201 C CB . ALA B 1 308 ? 265.455 63.552 28.769 1.00 66.30 ? 303 ALA B CB 1 ATOM 5202 N N . SER B 1 309 ? 265.915 65.109 31.700 1.00 77.85 ? 304 SER B N 1 ATOM 5203 C CA . SER B 1 309 ? 266.308 65.029 33.098 1.00 80.57 ? 304 SER B CA 1 ATOM 5204 C C . SER B 1 309 ? 265.368 65.848 33.973 1.00 85.10 ? 304 SER B C 1 ATOM 5205 O O . SER B 1 309 ? 265.572 65.966 35.179 1.00 88.52 ? 304 SER B O 1 ATOM 5206 C CB . SER B 1 309 ? 267.743 65.517 33.274 1.00 85.87 ? 304 SER B CB 1 ATOM 5207 O OG . SER B 1 309 ? 267.855 66.897 32.969 1.00 85.28 ? 304 SER B OG 1 ATOM 5208 N N . GLY B 1 310 ? 264.342 66.423 33.355 1.00 83.92 ? 305 GLY B N 1 ATOM 5209 C CA . GLY B 1 310 ? 263.385 67.243 34.072 1.00 74.68 ? 305 GLY B CA 1 ATOM 5210 C C . GLY B 1 310 ? 263.897 68.647 34.325 1.00 78.00 ? 305 GLY B C 1 ATOM 5211 O O . GLY B 1 310 ? 263.241 69.442 34.998 1.00 81.14 ? 305 GLY B O 1 ATOM 5212 N N . ARG B 1 311 ? 265.072 68.954 33.785 1.00 69.16 ? 306 ARG B N 1 ATOM 5213 C CA . ARG B 1 311 ? 265.681 70.267 33.969 1.00 74.43 ? 306 ARG B CA 1 ATOM 5214 C C . ARG B 1 311 ? 264.885 71.342 33.237 1.00 71.42 ? 306 ARG B C 1 ATOM 5215 O O . ARG B 1 311 ? 264.640 71.236 32.037 1.00 71.15 ? 306 ARG B O 1 ATOM 5216 C CB . ARG B 1 311 ? 267.134 70.259 33.486 1.00 81.71 ? 306 ARG B CB 1 ATOM 5217 C CG . ARG B 1 311 ? 267.914 71.511 33.856 1.00 78.30 ? 306 ARG B CG 1 ATOM 5218 C CD . ARG B 1 311 ? 269.406 71.334 33.626 1.00 76.48 ? 306 ARG B CD 1 ATOM 5219 N NE . ARG B 1 311 ? 269.814 71.681 32.267 1.00 73.82 ? 306 ARG B NE 1 ATOM 5220 C CZ . ARG B 1 311 ? 270.039 70.798 31.299 1.00 81.62 ? 306 ARG B CZ 1 ATOM 5221 N NH1 . ARG B 1 311 ? 270.410 71.219 30.097 1.00 75.06 ? 306 ARG B NH1 1 ATOM 5222 N NH2 . ARG B 1 311 ? 269.898 69.497 31.529 1.00 80.70 ? 306 ARG B NH2 1 ATOM 5223 N N . VAL B 1 312 ? 264.489 72.380 33.966 1.00 68.67 ? 307 VAL B N 1 ATOM 5224 C CA . VAL B 1 312 ? 263.646 73.429 33.404 1.00 63.52 ? 307 VAL B CA 1 ATOM 5225 C C . VAL B 1 312 ? 264.464 74.608 32.888 1.00 61.64 ? 307 VAL B C 1 ATOM 5226 O O . VAL B 1 312 ? 265.164 75.269 33.652 1.00 70.91 ? 307 VAL B O 1 ATOM 5227 C CB . VAL B 1 312 ? 262.634 73.943 34.441 1.00 66.18 ? 307 VAL B CB 1 ATOM 5228 C CG1 . VAL B 1 312 ? 261.598 74.827 33.768 1.00 69.53 ? 307 VAL B CG1 1 ATOM 5229 C CG2 . VAL B 1 312 ? 261.963 72.776 35.148 1.00 57.11 ? 307 VAL B CG2 1 ATOM 5230 N N . ILE B 1 313 ? 264.366 74.869 31.589 1.00 60.91 ? 308 ILE B N 1 ATOM 5231 C CA . ILE B 1 313 ? 265.091 75.972 30.968 1.00 60.29 ? 308 ILE B CA 1 ATOM 5232 C C . ILE B 1 313 ? 264.355 77.288 31.213 1.00 65.14 ? 308 ILE B C 1 ATOM 5233 O O . ILE B 1 313 ? 263.149 77.385 30.984 1.00 66.95 ? 308 ILE B O 1 ATOM 5234 C CB . ILE B 1 313 ? 265.281 75.744 29.451 1.00 52.14 ? 308 ILE B CB 1 ATOM 5235 C CG1 . ILE B 1 313 ? 266.539 74.915 29.183 1.00 65.06 ? 308 ILE B CG1 1 ATOM 5236 C CG2 . ILE B 1 313 ? 265.409 77.064 28.715 1.00 58.94 ? 308 ILE B CG2 1 ATOM 5237 C CD1 . ILE B 1 313 ? 266.480 73.494 29.689 1.00 63.71 ? 308 ILE B CD1 1 ATOM 5238 N N . GLU B 1 314 ? 265.082 78.297 31.685 1.00 73.16 ? 309 GLU B N 1 ATOM 5239 C CA . GLU B 1 314 ? 264.464 79.554 32.093 1.00 77.36 ? 309 GLU B CA 1 ATOM 5240 C C . GLU B 1 314 ? 264.151 80.477 30.920 1.00 75.26 ? 309 GLU B C 1 ATOM 5241 O O . GLU B 1 314 ? 262.995 80.827 30.693 1.00 80.84 ? 309 GLU B O 1 ATOM 5242 C CB . GLU B 1 314 ? 265.360 80.292 33.094 1.00 84.17 ? 309 GLU B CB 1 ATOM 5243 C CG . GLU B 1 314 ? 264.603 80.848 34.295 1.00 90.16 ? 309 GLU B CG 1 ATOM 5244 C CD . GLU B 1 314 ? 265.352 81.956 35.011 1.00 99.42 ? 309 GLU B CD 1 ATOM 5245 O OE1 . GLU B 1 314 ? 265.828 82.889 34.330 1.00 97.26 ? 309 GLU B OE1 1 ATOM 5246 O OE2 . GLU B 1 314 ? 265.460 81.897 36.254 1.00 107.14 ? 309 GLU B OE2 1 ATOM 5247 N N . GLU B 1 315 ? 265.179 80.875 30.180 1.00 67.07 ? 310 GLU B N 1 ATOM 5248 C CA . GLU B 1 315 ? 265.011 81.907 29.163 1.00 59.87 ? 310 GLU B CA 1 ATOM 5249 C C . GLU B 1 315 ? 264.776 81.349 27.760 1.00 56.94 ? 310 GLU B C 1 ATOM 5250 O O . GLU B 1 315 ? 265.485 80.458 27.293 1.00 59.63 ? 310 GLU B O 1 ATOM 5251 C CB . GLU B 1 315 ? 266.224 82.839 29.165 1.00 64.84 ? 310 GLU B CB 1 ATOM 5252 C CG . GLU B 1 315 ? 266.291 83.727 30.400 1.00 82.08 ? 310 GLU B CG 1 ATOM 5253 C CD . GLU B 1 315 ? 267.660 84.344 30.616 1.00 104.01 ? 310 GLU B CD 1 ATOM 5254 O OE1 . GLU B 1 315 ? 268.444 84.425 29.647 1.00 101.50 ? 310 GLU B OE1 1 ATOM 5255 O OE2 . GLU B 1 315 ? 267.954 84.744 31.763 1.00 111.40 ? 310 GLU B OE2 1 ATOM 5256 N N . TRP B 1 316 ? 263.757 81.895 27.105 1.00 80.29 ? 311 TRP B N 1 ATOM 5257 C CA . TRP B 1 316 ? 263.378 81.527 25.750 1.00 74.80 ? 311 TRP B CA 1 ATOM 5258 C C . TRP B 1 316 ? 263.203 82.789 24.913 1.00 75.87 ? 311 TRP B C 1 ATOM 5259 O O . TRP B 1 316 ? 263.243 83.905 25.434 1.00 77.22 ? 311 TRP B O 1 ATOM 5260 C CB . TRP B 1 316 ? 262.081 80.711 25.741 1.00 63.00 ? 311 TRP B CB 1 ATOM 5261 C CG . TRP B 1 316 ? 262.134 79.427 26.522 1.00 68.19 ? 311 TRP B CG 1 ATOM 5262 C CD1 . TRP B 1 316 ? 262.226 79.295 27.877 1.00 71.06 ? 311 TRP B CD1 1 ATOM 5263 C CD2 . TRP B 1 316 ? 262.066 78.095 25.994 1.00 69.17 ? 311 TRP B CD2 1 ATOM 5264 N NE1 . TRP B 1 316 ? 262.235 77.966 28.225 1.00 69.20 ? 311 TRP B NE1 1 ATOM 5265 C CE2 . TRP B 1 316 ? 262.137 77.208 27.088 1.00 71.58 ? 311 TRP B CE2 1 ATOM 5266 C CE3 . TRP B 1 316 ? 261.957 77.567 24.704 1.00 68.30 ? 311 TRP B CE3 1 ATOM 5267 C CZ2 . TRP B 1 316 ? 262.103 75.824 26.931 1.00 70.31 ? 311 TRP B CZ2 1 ATOM 5268 C CZ3 . TRP B 1 316 ? 261.924 76.191 24.550 1.00 71.00 ? 311 TRP B CZ3 1 ATOM 5269 C CH2 . TRP B 1 316 ? 261.995 75.336 25.658 1.00 69.00 ? 311 TRP B CH2 1 ATOM 5270 N N . CYS B 1 317 ? 262.986 82.606 23.617 1.00 71.34 ? 312 CYS B N 1 ATOM 5271 C CA . CYS B 1 317 ? 262.872 83.722 22.694 1.00 73.30 ? 312 CYS B CA 1 ATOM 5272 C C . CYS B 1 317 ? 262.059 83.349 21.460 1.00 69.39 ? 312 CYS B C 1 ATOM 5273 O O . CYS B 1 317 ? 261.752 82.179 21.237 1.00 66.18 ? 312 CYS B O 1 ATOM 5274 C CB . CYS B 1 317 ? 264.261 84.207 22.273 1.00 73.66 ? 312 CYS B CB 1 ATOM 5275 S SG . CYS B 1 317 ? 265.233 82.983 21.355 1.00 82.29 ? 312 CYS B SG 1 ATOM 5276 N N . CYS B 1 318 ? 261.710 84.355 20.665 1.00 65.66 ? 313 CYS B N 1 ATOM 5277 C CA . CYS B 1 318 ? 261.091 84.128 19.363 1.00 62.08 ? 313 CYS B CA 1 ATOM 5278 C C . CYS B 1 318 ? 261.464 85.263 18.417 1.00 63.59 ? 313 CYS B C 1 ATOM 5279 O O . CYS B 1 318 ? 261.617 86.409 18.843 1.00 62.08 ? 313 CYS B O 1 ATOM 5280 C CB . CYS B 1 318 ? 259.569 84.000 19.487 1.00 62.82 ? 313 CYS B CB 1 ATOM 5281 S SG . CYS B 1 318 ? 258.709 85.475 20.083 1.00 59.48 ? 313 CYS B SG 1 ATOM 5282 N N . ARG B 1 319 ? 261.619 84.938 17.137 1.00 68.48 ? 314 ARG B N 1 ATOM 5283 C CA . ARG B 1 319 ? 262.056 85.911 16.139 1.00 66.33 ? 314 ARG B CA 1 ATOM 5284 C C . ARG B 1 319 ? 261.134 87.124 16.071 1.00 68.56 ? 314 ARG B C 1 ATOM 5285 O O . ARG B 1 319 ? 261.585 88.261 16.209 1.00 71.60 ? 314 ARG B O 1 ATOM 5286 C CB . ARG B 1 319 ? 262.151 85.251 14.762 1.00 70.98 ? 314 ARG B CB 1 ATOM 5287 C CG . ARG B 1 319 ? 263.295 84.263 14.631 1.00 64.56 ? 314 ARG B CG 1 ATOM 5288 C CD . ARG B 1 319 ? 264.607 84.977 14.368 1.00 73.73 ? 314 ARG B CD 1 ATOM 5289 N NE . ARG B 1 319 ? 265.001 84.888 12.965 1.00 78.61 ? 314 ARG B NE 1 ATOM 5290 C CZ . ARG B 1 319 ? 265.866 83.999 12.488 1.00 72.19 ? 314 ARG B CZ 1 ATOM 5291 N NH1 . ARG B 1 319 ? 266.164 83.990 11.197 1.00 79.54 ? 314 ARG B NH1 1 ATOM 5292 N NH2 . ARG B 1 319 ? 266.435 83.122 13.302 1.00 68.23 ? 314 ARG B NH2 1 ATOM 5293 N N . GLU B 1 320 ? 259.843 86.880 15.871 1.00 73.28 ? 315 GLU B N 1 ATOM 5294 C CA . GLU B 1 320 ? 258.892 87.974 15.723 1.00 74.25 ? 315 GLU B CA 1 ATOM 5295 C C . GLU B 1 320 ? 257.450 87.563 16.015 1.00 68.23 ? 315 GLU B C 1 ATOM 5296 O O . GLU B 1 320 ? 256.516 88.075 15.397 1.00 62.84 ? 315 GLU B O 1 ATOM 5297 C CB . GLU B 1 320 ? 258.995 88.558 14.313 1.00 77.65 ? 315 GLU B CB 1 ATOM 5298 C CG . GLU B 1 320 ? 259.075 87.511 13.219 1.00 81.87 ? 315 GLU B CG 1 ATOM 5299 C CD . GLU B 1 320 ? 259.744 88.032 11.963 1.00 95.00 ? 315 GLU B CD 1 ATOM 5300 O OE1 . GLU B 1 320 ? 259.969 89.258 11.870 1.00 79.56 ? 315 GLU B OE1 1 ATOM 5301 O OE2 . GLU B 1 320 ? 260.051 87.211 11.072 1.00 103.53 ? 315 GLU B OE2 1 ATOM 5302 N N . CYS B 1 321 ? 257.270 86.648 16.963 1.00 65.90 ? 316 CYS B N 1 ATOM 5303 C CA . CYS B 1 321 ? 255.931 86.271 17.408 1.00 64.53 ? 316 CYS B CA 1 ATOM 5304 C C . CYS B 1 321 ? 255.400 87.301 18.400 1.00 65.13 ? 316 CYS B C 1 ATOM 5305 O O . CYS B 1 321 ? 256.034 88.330 18.631 1.00 68.99 ? 316 CYS B O 1 ATOM 5306 C CB . CYS B 1 321 ? 255.934 84.875 18.037 1.00 61.49 ? 316 CYS B CB 1 ATOM 5307 S SG . CYS B 1 321 ? 256.897 84.727 19.552 1.00 71.50 ? 316 CYS B SG 1 ATOM 5308 N N . THR B 1 322 ? 254.239 87.025 18.986 1.00 61.74 ? 317 THR B N 1 ATOM 5309 C CA . THR B 1 322 ? 253.620 87.967 19.913 1.00 59.00 ? 317 THR B CA 1 ATOM 5310 C C . THR B 1 322 ? 253.396 87.360 21.293 1.00 61.23 ? 317 THR B C 1 ATOM 5311 O O . THR B 1 322 ? 253.232 86.148 21.435 1.00 57.06 ? 317 THR B O 1 ATOM 5312 C CB . THR B 1 322 ? 252.274 88.481 19.374 1.00 53.62 ? 317 THR B CB 1 ATOM 5313 O OG1 . THR B 1 322 ? 251.420 87.370 19.079 1.00 59.99 ? 317 THR B OG1 1 ATOM 5314 C CG2 . THR B 1 322 ? 252.486 89.298 18.111 1.00 49.27 ? 317 THR B CG2 1 ATOM 5315 N N . MET B 1 323 ? 253.387 88.221 22.307 1.00 66.89 ? 318 MET B N 1 ATOM 5316 C CA . MET B 1 323 ? 253.208 87.797 23.691 1.00 61.80 ? 318 MET B CA 1 ATOM 5317 C C . MET B 1 323 ? 251.763 88.004 24.143 1.00 62.83 ? 318 MET B C 1 ATOM 5318 O O . MET B 1 323 ? 251.083 88.902 23.645 1.00 63.54 ? 318 MET B O 1 ATOM 5319 C CB . MET B 1 323 ? 254.170 88.562 24.606 1.00 60.38 ? 318 MET B CB 1 ATOM 5320 C CG . MET B 1 323 ? 255.651 88.373 24.280 1.00 52.58 ? 318 MET B CG 1 ATOM 5321 S SD . MET B 1 323 ? 256.319 86.768 24.776 1.00 69.51 ? 318 MET B SD 1 ATOM 5322 C CE . MET B 1 323 ? 256.101 85.803 23.283 1.00 65.56 ? 318 MET B CE 1 ATOM 5323 N N . PRO B 1 324 ? 251.279 87.173 25.085 1.00 58.68 ? 319 PRO B N 1 ATOM 5324 C CA . PRO B 1 324 ? 251.941 86.037 25.740 1.00 62.69 ? 319 PRO B CA 1 ATOM 5325 C C . PRO B 1 324 ? 252.169 84.858 24.793 1.00 63.65 ? 319 PRO B C 1 ATOM 5326 O O . PRO B 1 324 ? 251.403 84.674 23.848 1.00 65.13 ? 319 PRO B O 1 ATOM 5327 C CB . PRO B 1 324 ? 250.964 85.664 26.865 1.00 62.04 ? 319 PRO B CB 1 ATOM 5328 C CG . PRO B 1 324 ? 249.656 86.176 26.416 1.00 59.65 ? 319 PRO B CG 1 ATOM 5329 C CD . PRO B 1 324 ? 249.950 87.430 25.662 1.00 60.78 ? 319 PRO B CD 1 ATOM 5330 N N . PRO B 1 325 ? 253.222 84.067 25.049 1.00 63.48 ? 320 PRO B N 1 ATOM 5331 C CA . PRO B 1 325 ? 253.680 83.026 24.125 1.00 59.82 ? 320 PRO B CA 1 ATOM 5332 C C . PRO B 1 325 ? 252.721 81.849 24.008 1.00 63.53 ? 320 PRO B C 1 ATOM 5333 O O . PRO B 1 325 ? 252.004 81.533 24.957 1.00 63.18 ? 320 PRO B O 1 ATOM 5334 C CB . PRO B 1 325 ? 255.005 82.577 24.746 1.00 67.59 ? 320 PRO B CB 1 ATOM 5335 C CG . PRO B 1 325 ? 254.828 82.825 26.199 1.00 68.89 ? 320 PRO B CG 1 ATOM 5336 C CD . PRO B 1 325 ? 254.024 84.092 26.286 1.00 69.44 ? 320 PRO B CD 1 ATOM 5337 N N . LEU B 1 326 ? 252.724 81.206 22.846 1.00 63.28 ? 321 LEU B N 1 ATOM 5338 C CA . LEU B 1 326 ? 251.917 80.016 22.625 1.00 61.10 ? 321 LEU B CA 1 ATOM 5339 C C . LEU B 1 326 ? 252.549 78.823 23.327 1.00 62.86 ? 321 LEU B C 1 ATOM 5340 O O . LEU B 1 326 ? 253.759 78.612 23.235 1.00 64.79 ? 321 LEU B O 1 ATOM 5341 C CB . LEU B 1 326 ? 251.766 79.741 21.128 1.00 58.34 ? 321 LEU B CB 1 ATOM 5342 C CG . LEU B 1 326 ? 250.770 78.662 20.698 1.00 58.49 ? 321 LEU B CG 1 ATOM 5343 C CD1 . LEU B 1 326 ? 250.153 79.032 19.363 1.00 66.62 ? 321 LEU B CD1 1 ATOM 5344 C CD2 . LEU B 1 326 ? 251.437 77.304 20.602 1.00 58.81 ? 321 LEU B CD2 1 ATOM 5345 N N . SER B 1 327 ? 251.729 78.040 24.020 1.00 52.00 ? 322 SER B N 1 ATOM 5346 C CA . SER B 1 327 ? 252.224 76.868 24.730 1.00 53.98 ? 322 SER B CA 1 ATOM 5347 C C . SER B 1 327 ? 251.201 75.738 24.764 1.00 62.47 ? 322 SER B C 1 ATOM 5348 O O . SER B 1 327 ? 249.999 75.975 24.677 1.00 62.75 ? 322 SER B O 1 ATOM 5349 C CB . SER B 1 327 ? 252.621 77.243 26.156 1.00 53.15 ? 322 SER B CB 1 ATOM 5350 O OG . SER B 1 327 ? 251.495 77.693 26.885 1.00 62.75 ? 322 SER B OG 1 ATOM 5351 N N . PHE B 1 328 ? 251.692 74.509 24.891 1.00 57.44 ? 323 PHE B N 1 ATOM 5352 C CA . PHE B 1 328 ? 250.838 73.334 25.004 1.00 55.43 ? 323 PHE B CA 1 ATOM 5353 C C . PHE B 1 328 ? 250.980 72.712 26.388 1.00 67.20 ? 323 PHE B C 1 ATOM 5354 O O . PHE B 1 328 ? 252.093 72.435 26.833 1.00 68.57 ? 323 PHE B O 1 ATOM 5355 C CB . PHE B 1 328 ? 251.194 72.296 23.937 1.00 61.35 ? 323 PHE B CB 1 ATOM 5356 C CG . PHE B 1 328 ? 251.329 72.861 22.551 1.00 62.95 ? 323 PHE B CG 1 ATOM 5357 C CD1 . PHE B 1 328 ? 250.248 72.875 21.686 1.00 60.38 ? 323 PHE B CD1 1 ATOM 5358 C CD2 . PHE B 1 328 ? 252.542 73.360 22.106 1.00 59.99 ? 323 PHE B CD2 1 ATOM 5359 C CE1 . PHE B 1 328 ? 250.373 73.385 20.408 1.00 64.05 ? 323 PHE B CE1 1 ATOM 5360 C CE2 . PHE B 1 328 ? 252.672 73.872 20.830 1.00 53.67 ? 323 PHE B CE2 1 ATOM 5361 C CZ . PHE B 1 328 ? 251.587 73.883 19.980 1.00 60.29 ? 323 PHE B CZ 1 ATOM 5362 N N . ARG B 1 329 ? 249.861 72.484 27.068 1.00 67.20 ? 324 ARG B N 1 ATOM 5363 C CA . ARG B 1 329 ? 249.913 71.846 28.380 1.00 61.95 ? 324 ARG B CA 1 ATOM 5364 C C . ARG B 1 329 ? 249.492 70.382 28.309 1.00 56.58 ? 324 ARG B C 1 ATOM 5365 O O . ARG B 1 329 ? 248.319 70.070 28.102 1.00 64.27 ? 324 ARG B O 1 ATOM 5366 C CB . ARG B 1 329 ? 249.031 72.591 29.384 1.00 53.66 ? 324 ARG B CB 1 ATOM 5367 C CG . ARG B 1 329 ? 249.342 74.073 29.523 1.00 62.80 ? 324 ARG B CG 1 ATOM 5368 C CD . ARG B 1 329 ? 250.829 74.323 29.692 1.00 65.53 ? 324 ARG B CD 1 ATOM 5369 N NE . ARG B 1 329 ? 251.099 75.454 30.577 1.00 68.75 ? 324 ARG B NE 1 ATOM 5370 C CZ . ARG B 1 329 ? 251.023 76.729 30.212 1.00 69.40 ? 324 ARG B CZ 1 ATOM 5371 N NH1 . ARG B 1 329 ? 250.674 77.047 28.973 1.00 77.50 ? 324 ARG B NH1 1 ATOM 5372 N NH2 . ARG B 1 329 ? 251.288 77.689 31.088 1.00 62.03 ? 324 ARG B NH2 1 ATOM 5373 N N . ALA B 1 330 ? 250.461 69.489 28.477 1.00 64.22 ? 325 ALA B N 1 ATOM 5374 C CA . ALA B 1 330 ? 250.191 68.059 28.541 1.00 68.09 ? 325 ALA B CA 1 ATOM 5375 C C . ALA B 1 330 ? 250.534 67.535 29.929 1.00 74.86 ? 325 ALA B C 1 ATOM 5376 O O . ALA B 1 330 ? 250.969 68.295 30.795 1.00 69.05 ? 325 ALA B O 1 ATOM 5377 C CB . ALA B 1 330 ? 250.978 67.315 27.476 1.00 63.43 ? 325 ALA B CB 1 ATOM 5378 N N . LYS B 1 331 ? 250.339 66.238 30.142 1.00 93.19 ? 326 LYS B N 1 ATOM 5379 C CA . LYS B 1 331 ? 250.629 65.642 31.440 1.00 100.21 ? 326 LYS B CA 1 ATOM 5380 C C . LYS B 1 331 ? 252.131 65.478 31.650 1.00 101.26 ? 326 LYS B C 1 ATOM 5381 O O . LYS B 1 331 ? 252.608 65.483 32.783 1.00 107.51 ? 326 LYS B O 1 ATOM 5382 C CB . LYS B 1 331 ? 249.914 64.293 31.587 1.00 103.01 ? 326 LYS B CB 1 ATOM 5383 C CG . LYS B 1 331 ? 250.082 63.339 30.410 1.00 111.28 ? 326 LYS B CG 1 ATOM 5384 C CD . LYS B 1 331 ? 251.290 62.431 30.580 1.00 106.67 ? 326 LYS B CD 1 ATOM 5385 C CE . LYS B 1 331 ? 251.467 61.519 29.376 1.00 113.75 ? 326 LYS B CE 1 ATOM 5386 N NZ . LYS B 1 331 ? 252.731 60.733 29.451 1.00 111.27 ? 326 LYS B NZ 1 ATOM 5387 N N . ASP B 1 332 ? 252.875 65.342 30.556 1.00 91.40 ? 327 ASP B N 1 ATOM 5388 C CA . ASP B 1 332 ? 254.319 65.171 30.651 1.00 87.12 ? 327 ASP B CA 1 ATOM 5389 C C . ASP B 1 332 ? 255.005 66.511 30.896 1.00 82.29 ? 327 ASP B C 1 ATOM 5390 O O . ASP B 1 332 ? 256.202 66.563 31.179 1.00 91.20 ? 327 ASP B O 1 ATOM 5391 C CB . ASP B 1 332 ? 254.877 64.507 29.388 1.00 81.42 ? 327 ASP B CB 1 ATOM 5392 C CG . ASP B 1 332 ? 255.007 65.472 28.224 1.00 84.45 ? 327 ASP B CG 1 ATOM 5393 O OD1 . ASP B 1 332 ? 254.125 66.342 28.060 1.00 87.52 ? 327 ASP B OD1 1 ATOM 5394 O OD2 . ASP B 1 332 ? 255.996 65.358 27.470 1.00 82.89 ? 327 ASP B OD2 1 ATOM 5395 N N . GLY B 1 333 ? 254.244 67.594 30.783 1.00 69.40 ? 328 GLY B N 1 ATOM 5396 C CA . GLY B 1 333 ? 254.772 68.913 31.071 1.00 69.72 ? 328 GLY B CA 1 ATOM 5397 C C . GLY B 1 333 ? 254.242 70.028 30.191 1.00 71.33 ? 328 GLY B C 1 ATOM 5398 O O . GLY B 1 333 ? 253.088 70.010 29.766 1.00 77.57 ? 328 GLY B O 1 ATOM 5399 N N . CYS B 1 334 ? 255.103 71.004 29.919 1.00 81.54 ? 329 CYS B N 1 ATOM 5400 C CA . CYS B 1 334 ? 254.726 72.192 29.165 1.00 79.42 ? 329 CYS B CA 1 ATOM 5401 C C . CYS B 1 334 ? 255.609 72.381 27.931 1.00 80.76 ? 329 CYS B C 1 ATOM 5402 O O . CYS B 1 334 ? 256.833 72.427 28.033 1.00 87.17 ? 329 CYS B O 1 ATOM 5403 C CB . CYS B 1 334 ? 254.804 73.428 30.065 1.00 79.54 ? 329 CYS B CB 1 ATOM 5404 S SG . CYS B 1 334 ? 254.563 75.005 29.221 1.00 94.50 ? 329 CYS B SG 1 ATOM 5405 N N . TRP B 1 335 ? 254.978 72.489 26.766 1.00 66.40 ? 330 TRP B N 1 ATOM 5406 C CA . TRP B 1 335 ? 255.697 72.676 25.510 1.00 65.39 ? 330 TRP B CA 1 ATOM 5407 C C . TRP B 1 335 ? 255.490 74.090 24.984 1.00 63.54 ? 330 TRP B C 1 ATOM 5408 O O . TRP B 1 335 ? 254.522 74.750 25.342 1.00 64.73 ? 330 TRP B O 1 ATOM 5409 C CB . TRP B 1 335 ? 255.234 71.661 24.466 1.00 61.57 ? 330 TRP B CB 1 ATOM 5410 C CG . TRP B 1 335 ? 255.410 70.233 24.873 1.00 59.04 ? 330 TRP B CG 1 ATOM 5411 C CD1 . TRP B 1 335 ? 254.770 69.583 25.889 1.00 65.07 ? 330 TRP B CD1 1 ATOM 5412 C CD2 . TRP B 1 335 ? 256.267 69.266 24.257 1.00 58.29 ? 330 TRP B CD2 1 ATOM 5413 N NE1 . TRP B 1 335 ? 255.185 68.276 25.951 1.00 63.20 ? 330 TRP B NE1 1 ATOM 5414 C CE2 . TRP B 1 335 ? 256.103 68.055 24.958 1.00 60.56 ? 330 TRP B CE2 1 ATOM 5415 C CE3 . TRP B 1 335 ? 257.161 69.307 23.183 1.00 66.21 ? 330 TRP B CE3 1 ATOM 5416 C CZ2 . TRP B 1 335 ? 256.799 66.896 24.621 1.00 61.79 ? 330 TRP B CZ2 1 ATOM 5417 C CZ3 . TRP B 1 335 ? 257.851 68.156 22.849 1.00 69.23 ? 330 TRP B CZ3 1 ATOM 5418 C CH2 . TRP B 1 335 ? 257.665 66.967 23.565 1.00 65.61 ? 330 TRP B CH2 1 ATOM 5419 N N . TYR B 1 336 ? 256.399 74.556 24.135 1.00 65.36 ? 331 TYR B N 1 ATOM 5420 C CA . TYR B 1 336 ? 256.250 75.877 23.534 1.00 68.54 ? 331 TYR B CA 1 ATOM 5421 C C . TYR B 1 336 ? 255.902 75.782 22.054 1.00 67.06 ? 331 TYR B C 1 ATOM 5422 O O . TYR B 1 336 ? 256.036 74.723 21.436 1.00 55.93 ? 331 TYR B O 1 ATOM 5423 C CB . TYR B 1 336 ? 257.524 76.706 23.715 1.00 65.61 ? 331 TYR B CB 1 ATOM 5424 C CG . TYR B 1 336 ? 257.504 77.604 24.932 1.00 69.95 ? 331 TYR B CG 1 ATOM 5425 C CD1 . TYR B 1 336 ? 256.588 78.644 25.037 1.00 71.27 ? 331 TYR B CD1 1 ATOM 5426 C CD2 . TYR B 1 336 ? 258.406 77.420 25.971 1.00 69.91 ? 331 TYR B CD2 1 ATOM 5427 C CE1 . TYR B 1 336 ? 256.565 79.469 26.146 1.00 70.15 ? 331 TYR B CE1 1 ATOM 5428 C CE2 . TYR B 1 336 ? 258.393 78.242 27.084 1.00 70.39 ? 331 TYR B CE2 1 ATOM 5429 C CZ . TYR B 1 336 ? 257.469 79.263 27.166 1.00 72.48 ? 331 TYR B CZ 1 ATOM 5430 O OH . TYR B 1 336 ? 257.451 80.082 28.272 1.00 75.96 ? 331 TYR B OH 1 ATOM 5431 N N . GLY B 1 337 ? 255.449 76.899 21.493 1.00 58.17 ? 332 GLY B N 1 ATOM 5432 C CA . GLY B 1 337 ? 255.153 76.972 20.077 1.00 57.58 ? 332 GLY B CA 1 ATOM 5433 C C . GLY B 1 337 ? 256.407 76.783 19.250 1.00 62.34 ? 332 GLY B C 1 ATOM 5434 O O . GLY B 1 337 ? 257.520 76.918 19.759 1.00 68.42 ? 332 GLY B O 1 ATOM 5435 N N . MET B 1 338 ? 256.227 76.470 17.973 1.00 53.81 ? 333 MET B N 1 ATOM 5436 C CA . MET B 1 338 ? 257.349 76.229 17.074 1.00 55.61 ? 333 MET B CA 1 ATOM 5437 C C . MET B 1 338 ? 258.252 77.455 16.961 1.00 57.61 ? 333 MET B C 1 ATOM 5438 O O . MET B 1 338 ? 259.469 77.328 16.836 1.00 67.01 ? 333 MET B O 1 ATOM 5439 C CB . MET B 1 338 ? 256.840 75.813 15.692 1.00 55.70 ? 333 MET B CB 1 ATOM 5440 C CG . MET B 1 338 ? 256.040 74.519 15.703 1.00 56.50 ? 333 MET B CG 1 ATOM 5441 S SD . MET B 1 338 ? 255.530 73.963 14.067 1.00 65.38 ? 333 MET B SD 1 ATOM 5442 C CE . MET B 1 338 ? 257.120 73.789 13.262 1.00 50.62 ? 333 MET B CE 1 ATOM 5443 N N . GLU B 1 339 ? 257.648 78.637 17.024 1.00 52.16 ? 334 GLU B N 1 ATOM 5444 C CA . GLU B 1 339 ? 258.375 79.897 16.901 1.00 50.74 ? 334 GLU B CA 1 ATOM 5445 C C . GLU B 1 339 ? 259.288 80.170 18.096 1.00 56.72 ? 334 GLU B C 1 ATOM 5446 O O . GLU B 1 339 ? 260.223 80.967 18.005 1.00 57.90 ? 334 GLU B O 1 ATOM 5447 C CB . GLU B 1 339 ? 257.391 81.061 16.735 1.00 50.92 ? 334 GLU B CB 1 ATOM 5448 C CG . GLU B 1 339 ? 256.683 81.121 15.383 1.00 55.71 ? 334 GLU B CG 1 ATOM 5449 C CD . GLU B 1 339 ? 255.593 80.072 15.217 1.00 50.61 ? 334 GLU B CD 1 ATOM 5450 O OE1 . GLU B 1 339 ? 254.975 80.033 14.133 1.00 51.48 ? 334 GLU B OE1 1 ATOM 5451 O OE2 . GLU B 1 339 ? 255.351 79.290 16.160 1.00 47.75 ? 334 GLU B OE2 1 ATOM 5452 N N . ILE B 1 340 ? 259.013 79.506 19.212 1.00 59.50 ? 335 ILE B N 1 ATOM 5453 C CA . ILE B 1 340 ? 259.719 79.780 20.458 1.00 61.53 ? 335 ILE B CA 1 ATOM 5454 C C . ILE B 1 340 ? 260.850 78.788 20.711 1.00 60.49 ? 335 ILE B C 1 ATOM 5455 O O . ILE B 1 340 ? 260.631 77.581 20.792 1.00 69.94 ? 335 ILE B O 1 ATOM 5456 C CB . ILE B 1 340 ? 258.745 79.773 21.646 1.00 62.90 ? 335 ILE B CB 1 ATOM 5457 C CG1 . ILE B 1 340 ? 257.726 80.902 21.479 1.00 58.41 ? 335 ILE B CG1 1 ATOM 5458 C CG2 . ILE B 1 340 ? 259.498 79.925 22.957 1.00 62.96 ? 335 ILE B CG2 1 ATOM 5459 C CD1 . ILE B 1 340 ? 256.389 80.620 22.113 1.00 65.77 ? 335 ILE B CD1 1 ATOM 5460 N N . ARG B 1 341 ? 262.061 79.322 20.838 1.00 66.38 ? 336 ARG B N 1 ATOM 5461 C CA . ARG B 1 341 ? 263.271 78.524 20.998 1.00 63.90 ? 336 ARG B CA 1 ATOM 5462 C C . ARG B 1 341 ? 263.979 78.907 22.294 1.00 65.16 ? 336 ARG B C 1 ATOM 5463 O O . ARG B 1 341 ? 263.748 79.988 22.816 1.00 65.61 ? 336 ARG B O 1 ATOM 5464 C CB . ARG B 1 341 ? 264.203 78.737 19.802 1.00 64.05 ? 336 ARG B CB 1 ATOM 5465 C CG . ARG B 1 341 ? 263.567 78.485 18.444 1.00 57.90 ? 336 ARG B CG 1 ATOM 5466 C CD . ARG B 1 341 ? 263.490 77.001 18.136 1.00 64.00 ? 336 ARG B CD 1 ATOM 5467 N NE . ARG B 1 341 ? 262.157 76.455 18.359 1.00 57.58 ? 336 ARG B NE 1 ATOM 5468 C CZ . ARG B 1 341 ? 261.852 75.166 18.245 1.00 64.61 ? 336 ARG B CZ 1 ATOM 5469 N NH1 . ARG B 1 341 ? 260.609 74.758 18.464 1.00 71.12 ? 336 ARG B NH1 1 ATOM 5470 N NH2 . ARG B 1 341 ? 262.787 74.285 17.915 1.00 50.89 ? 336 ARG B NH2 1 ATOM 5471 N N . PRO B 1 342 ? 264.842 78.027 22.824 1.00 66.55 ? 337 PRO B N 1 ATOM 5472 C CA . PRO B 1 342 ? 265.612 78.424 24.010 1.00 69.14 ? 337 PRO B CA 1 ATOM 5473 C C . PRO B 1 342 ? 266.604 79.544 23.690 1.00 72.14 ? 337 PRO B C 1 ATOM 5474 O O . PRO B 1 342 ? 267.295 79.470 22.675 1.00 70.49 ? 337 PRO B O 1 ATOM 5475 C CB . PRO B 1 342 ? 266.337 77.136 24.407 1.00 64.45 ? 337 PRO B CB 1 ATOM 5476 C CG . PRO B 1 342 ? 266.388 76.326 23.150 1.00 67.04 ? 337 PRO B CG 1 ATOM 5477 C CD . PRO B 1 342 ? 265.120 76.638 22.423 1.00 63.34 ? 337 PRO B CD 1 ATOM 5478 N N . ARG B 1 343 ? 266.667 80.566 24.542 1.00 67.89 ? 338 ARG B N 1 ATOM 5479 C CA . ARG B 1 343 ? 267.492 81.742 24.266 1.00 69.68 ? 338 ARG B CA 1 ATOM 5480 C C . ARG B 1 343 ? 268.983 81.463 24.428 1.00 72.94 ? 338 ARG B C 1 ATOM 5481 O O . ARG B 1 343 ? 269.801 81.957 23.654 1.00 73.82 ? 338 ARG B O 1 ATOM 5482 C CB . ARG B 1 343 ? 267.085 82.911 25.172 1.00 67.90 ? 338 ARG B CB 1 ATOM 5483 C CG . ARG B 1 343 ? 267.929 84.166 24.967 1.00 73.01 ? 338 ARG B CG 1 ATOM 5484 C CD . ARG B 1 343 ? 267.097 85.442 25.031 1.00 68.20 ? 338 ARG B CD 1 ATOM 5485 N NE . ARG B 1 343 ? 266.900 85.926 26.395 1.00 84.97 ? 338 ARG B NE 1 ATOM 5486 C CZ . ARG B 1 343 ? 267.105 87.183 26.778 1.00 85.07 ? 338 ARG B CZ 1 ATOM 5487 N NH1 . ARG B 1 343 ? 266.900 87.539 28.038 1.00 91.86 ? 338 ARG B NH1 1 ATOM 5488 N NH2 . ARG B 1 343 ? 267.516 88.086 25.900 1.00 76.41 ? 338 ARG B NH2 1 ATOM 5489 N N . LYS B 1 344 ? 269.332 80.667 25.433 1.00 85.78 ? 339 LYS B N 1 ATOM 5490 C CA . LYS B 1 344 ? 270.732 80.391 25.734 1.00 86.62 ? 339 LYS B CA 1 ATOM 5491 C C . LYS B 1 344 ? 271.089 78.917 25.549 1.00 82.77 ? 339 LYS B C 1 ATOM 5492 O O . LYS B 1 344 ? 272.044 78.587 24.846 1.00 87.38 ? 339 LYS B O 1 ATOM 5493 C CB . LYS B 1 344 ? 271.058 80.835 27.160 1.00 90.52 ? 339 LYS B CB 1 ATOM 5494 C CG . LYS B 1 344 ? 271.710 82.204 27.250 1.00 91.52 ? 339 LYS B CG 1 ATOM 5495 C CD . LYS B 1 344 ? 273.109 82.162 26.659 1.00 101.74 ? 339 LYS B CD 1 ATOM 5496 C CE . LYS B 1 344 ? 274.048 83.107 27.385 1.00 107.52 ? 339 LYS B CE 1 ATOM 5497 N NZ . LYS B 1 344 ? 275.457 82.626 27.316 1.00 96.94 ? 339 LYS B NZ 1 ATOM 5498 N N . GLU B 1 345 ? 270.322 78.040 26.190 1.00 73.77 ? 340 GLU B N 1 ATOM 5499 C CA . GLU B 1 345 ? 270.530 76.597 26.084 1.00 74.70 ? 340 GLU B CA 1 ATOM 5500 C C . GLU B 1 345 ? 270.407 76.126 24.635 1.00 77.39 ? 340 GLU B C 1 ATOM 5501 O O . GLU B 1 345 ? 269.474 76.512 23.935 1.00 77.24 ? 340 GLU B O 1 ATOM 5502 C CB . GLU B 1 345 ? 269.524 75.853 26.967 1.00 71.62 ? 340 GLU B CB 1 ATOM 5503 C CG . GLU B 1 345 ? 269.609 74.336 26.892 1.00 77.73 ? 340 GLU B CG 1 ATOM 5504 C CD . GLU B 1 345 ? 270.638 73.757 27.844 1.00 81.85 ? 340 GLU B CD 1 ATOM 5505 O OE1 . GLU B 1 345 ? 270.854 74.349 28.923 1.00 89.12 ? 340 GLU B OE1 1 ATOM 5506 O OE2 . GLU B 1 345 ? 271.231 72.708 27.514 1.00 78.15 ? 340 GLU B OE2 1 ATOM 5507 N N . PRO B 1 346 ? 271.360 75.298 24.177 1.00 82.44 ? 341 PRO B N 1 ATOM 5508 C CA . PRO B 1 346 ? 271.304 74.773 22.807 1.00 82.84 ? 341 PRO B CA 1 ATOM 5509 C C . PRO B 1 346 ? 270.147 73.795 22.619 1.00 76.39 ? 341 PRO B C 1 ATOM 5510 O O . PRO B 1 346 ? 269.935 72.933 23.473 1.00 74.67 ? 341 PRO B O 1 ATOM 5511 C CB . PRO B 1 346 ? 272.656 74.072 22.643 1.00 81.50 ? 341 PRO B CB 1 ATOM 5512 C CG . PRO B 1 346 ? 273.084 73.742 24.031 1.00 68.77 ? 341 PRO B CG 1 ATOM 5513 C CD . PRO B 1 346 ? 272.567 74.853 24.894 1.00 77.92 ? 341 PRO B CD 1 ATOM 5514 N N . GLU B 1 347 ? 269.421 73.933 21.511 1.00 84.68 ? 342 GLU B N 1 ATOM 5515 C CA . GLU B 1 347 ? 268.221 73.138 21.246 1.00 79.79 ? 342 GLU B CA 1 ATOM 5516 C C . GLU B 1 347 ? 268.458 71.635 21.334 1.00 78.60 ? 342 GLU B C 1 ATOM 5517 O O . GLU B 1 347 ? 267.549 70.876 21.668 1.00 84.69 ? 342 GLU B O 1 ATOM 5518 C CB . GLU B 1 347 ? 267.658 73.465 19.861 1.00 74.21 ? 342 GLU B CB 1 ATOM 5519 C CG . GLU B 1 347 ? 267.169 74.889 19.689 1.00 72.12 ? 342 GLU B CG 1 ATOM 5520 C CD . GLU B 1 347 ? 266.507 75.103 18.342 1.00 73.69 ? 342 GLU B CD 1 ATOM 5521 O OE1 . GLU B 1 347 ? 266.561 76.238 17.823 1.00 79.63 ? 342 GLU B OE1 1 ATOM 5522 O OE2 . GLU B 1 347 ? 265.933 74.133 17.803 1.00 72.27 ? 342 GLU B OE2 1 ATOM 5523 N N . SER B 1 348 ? 269.682 71.214 21.034 1.00 83.66 ? 343 SER B N 1 ATOM 5524 C CA . SER B 1 348 ? 270.025 69.797 20.967 1.00 83.13 ? 343 SER B CA 1 ATOM 5525 C C . SER B 1 348 ? 269.848 69.068 22.299 1.00 79.49 ? 343 SER B C 1 ATOM 5526 O O . SER B 1 348 ? 269.762 67.843 22.331 1.00 77.96 ? 343 SER B O 1 ATOM 5527 C CB . SER B 1 348 ? 271.465 69.633 20.478 1.00 87.64 ? 343 SER B CB 1 ATOM 5528 O OG . SER B 1 348 ? 272.360 70.383 21.281 1.00 99.55 ? 343 SER B OG 1 ATOM 5529 N N . ASN B 1 349 ? 269.794 69.820 23.393 1.00 82.28 ? 344 ASN B N 1 ATOM 5530 C CA . ASN B 1 349 ? 269.658 69.221 24.718 1.00 85.31 ? 344 ASN B CA 1 ATOM 5531 C C . ASN B 1 349 ? 268.206 69.025 25.147 1.00 85.95 ? 344 ASN B C 1 ATOM 5532 O O . ASN B 1 349 ? 267.933 68.356 26.145 1.00 84.70 ? 344 ASN B O 1 ATOM 5533 C CB . ASN B 1 349 ? 270.381 70.073 25.762 1.00 80.92 ? 344 ASN B CB 1 ATOM 5534 C CG . ASN B 1 349 ? 271.888 70.000 25.634 1.00 88.96 ? 344 ASN B CG 1 ATOM 5535 O OD1 . ASN B 1 349 ? 272.440 68.974 25.236 1.00 92.72 ? 344 ASN B OD1 1 ATOM 5536 N ND2 . ASN B 1 349 ? 272.563 71.090 25.975 1.00 90.00 ? 344 ASN B ND2 1 ATOM 5537 N N . LEU B 1 350 ? 267.278 69.605 24.395 1.00 84.48 ? 345 LEU B N 1 ATOM 5538 C CA . LEU B 1 350 ? 265.876 69.604 24.797 1.00 80.49 ? 345 LEU B CA 1 ATOM 5539 C C . LEU B 1 350 ? 265.057 68.515 24.110 1.00 76.99 ? 345 LEU B C 1 ATOM 5540 O O . LEU B 1 350 ? 265.415 68.032 23.035 1.00 72.74 ? 345 LEU B O 1 ATOM 5541 C CB . LEU B 1 350 ? 265.244 70.971 24.524 1.00 72.17 ? 345 LEU B CB 1 ATOM 5542 C CG . LEU B 1 350 ? 265.765 72.139 25.366 1.00 78.11 ? 345 LEU B CG 1 ATOM 5543 C CD1 . LEU B 1 350 ? 266.969 72.802 24.715 1.00 77.96 ? 345 LEU B CD1 1 ATOM 5544 C CD2 . LEU B 1 350 ? 264.665 73.152 25.615 1.00 69.47 ? 345 LEU B CD2 1 ATOM 5545 N N . VAL B 1 351 ? 263.958 68.133 24.753 1.00 69.80 ? 346 VAL B N 1 ATOM 5546 C CA . VAL B 1 351 ? 263.012 67.185 24.180 1.00 64.43 ? 346 VAL B CA 1 ATOM 5547 C C . VAL B 1 351 ? 262.199 67.863 23.084 1.00 64.55 ? 346 VAL B C 1 ATOM 5548 O O . VAL B 1 351 ? 261.606 68.918 23.307 1.00 64.25 ? 346 VAL B O 1 ATOM 5549 C CB . VAL B 1 351 ? 262.058 66.622 25.250 1.00 64.42 ? 346 VAL B CB 1 ATOM 5550 C CG1 . VAL B 1 351 ? 261.047 65.680 24.618 1.00 59.69 ? 346 VAL B CG1 1 ATOM 5551 C CG2 . VAL B 1 351 ? 262.843 65.918 26.342 1.00 64.82 ? 346 VAL B CG2 1 ATOM 5552 N N . ARG B 1 352 ? 262.175 67.262 21.900 1.00 75.06 ? 347 ARG B N 1 ATOM 5553 C CA . ARG B 1 352 ? 261.443 67.842 20.783 1.00 73.89 ? 347 ARG B CA 1 ATOM 5554 C C . ARG B 1 352 ? 260.314 66.936 20.320 1.00 78.47 ? 347 ARG B C 1 ATOM 5555 O O . ARG B 1 352 ? 260.330 65.729 20.562 1.00 76.99 ? 347 ARG B O 1 ATOM 5556 C CB . ARG B 1 352 ? 262.383 68.132 19.611 1.00 69.11 ? 347 ARG B CB 1 ATOM 5557 C CG . ARG B 1 352 ? 262.998 66.903 18.970 1.00 83.80 ? 347 ARG B CG 1 ATOM 5558 C CD . ARG B 1 352 ? 263.816 67.295 17.752 1.00 91.18 ? 347 ARG B CD 1 ATOM 5559 N NE . ARG B 1 352 ? 264.755 68.369 18.065 1.00 104.31 ? 347 ARG B NE 1 ATOM 5560 C CZ . ARG B 1 352 ? 265.536 68.968 17.171 1.00 107.37 ? 347 ARG B CZ 1 ATOM 5561 N NH1 . ARG B 1 352 ? 265.494 68.601 15.898 1.00 93.37 ? 347 ARG B NH1 1 ATOM 5562 N NH2 . ARG B 1 352 ? 266.359 69.936 17.552 1.00 109.58 ? 347 ARG B NH2 1 ATOM 5563 N N . SER B 1 353 ? 259.333 67.535 19.654 1.00 70.83 ? 348 SER B N 1 ATOM 5564 C CA . SER B 1 353 ? 258.242 66.781 19.057 1.00 67.48 ? 348 SER B CA 1 ATOM 5565 C C . SER B 1 353 ? 258.747 66.009 17.846 1.00 66.30 ? 348 SER B C 1 ATOM 5566 O O . SER B 1 353 ? 259.241 66.595 16.883 1.00 67.64 ? 348 SER B O 1 ATOM 5567 C CB . SER B 1 353 ? 257.095 67.712 18.657 1.00 66.01 ? 348 SER B CB 1 ATOM 5568 O OG . SER B 1 353 ? 256.070 67.003 17.983 1.00 65.52 ? 348 SER B OG 1 ATOM 5569 N N . MET B 1 354 ? 258.629 64.689 17.905 1.00 65.16 ? 349 MET B N 1 ATOM 5570 C CA . MET B 1 354 ? 259.060 63.840 16.805 1.00 73.08 ? 349 MET B CA 1 ATOM 5571 C C . MET B 1 354 ? 257.889 63.514 15.890 1.00 75.89 ? 349 MET B C 1 ATOM 5572 O O . MET B 1 354 ? 257.874 62.473 15.232 1.00 71.51 ? 349 MET B O 1 ATOM 5573 C CB . MET B 1 354 ? 259.696 62.554 17.337 1.00 71.41 ? 349 MET B CB 1 ATOM 5574 C CG . MET B 1 354 ? 261.075 62.755 17.940 1.00 66.41 ? 349 MET B CG 1 ATOM 5575 S SD . MET B 1 354 ? 262.269 63.314 16.711 1.00 93.50 ? 349 MET B SD 1 ATOM 5576 C CE . MET B 1 354 ? 263.731 63.525 17.722 1.00 101.92 ? 349 MET B CE 1 ATOM 5577 N N . VAL B 1 355 ? 256.910 64.413 15.847 1.00 76.99 ? 350 VAL B N 1 ATOM 5578 C CA . VAL B 1 355 ? 255.688 64.164 15.095 1.00 68.18 ? 350 VAL B CA 1 ATOM 5579 C C . VAL B 1 355 ? 255.331 65.343 14.188 1.00 69.53 ? 350 VAL B C 1 ATOM 5580 O O . VAL B 1 355 ? 255.719 66.484 14.445 1.00 76.69 ? 350 VAL B O 1 ATOM 5581 C CB . VAL B 1 355 ? 254.511 63.849 16.051 1.00 68.19 ? 350 VAL B CB 1 ATOM 5582 C CG1 . VAL B 1 355 ? 253.639 65.075 16.277 1.00 68.05 ? 350 VAL B CG1 1 ATOM 5583 C CG2 . VAL B 1 355 ? 253.687 62.689 15.517 1.00 72.19 ? 350 VAL B CG2 1 ATOM 5584 N N . THR B 1 356 ? 254.606 65.051 13.112 1.00 73.09 ? 351 THR B N 1 ATOM 5585 C CA . THR B 1 356 ? 254.175 66.075 12.169 1.00 68.78 ? 351 THR B CA 1 ATOM 5586 C C . THR B 1 356 ? 252.756 65.795 11.691 1.00 71.22 ? 351 THR B C 1 ATOM 5587 O O . THR B 1 356 ? 252.412 64.655 11.381 1.00 78.51 ? 351 THR B O 1 ATOM 5588 C CB . THR B 1 356 ? 255.107 66.157 10.947 1.00 66.07 ? 351 THR B CB 1 ATOM 5589 O OG1 . THR B 1 356 ? 256.472 66.210 11.382 1.00 89.25 ? 351 THR B OG1 1 ATOM 5590 C CG2 . THR B 1 356 ? 254.792 67.392 10.114 1.00 71.53 ? 351 THR B CG2 1 ATOM 5591 N N . ALA B 1 357 ? 251.932 66.835 11.639 1.00 63.45 ? 352 ALA B N 1 ATOM 5592 C CA . ALA B 1 357 ? 250.572 66.693 11.140 1.00 61.57 ? 352 ALA B CA 1 ATOM 5593 C C . ALA B 1 357 ? 250.580 66.472 9.632 1.00 65.94 ? 352 ALA B C 1 ATOM 5594 O O . ALA B 1 357 ? 249.750 67.022 8.910 1.00 79.79 ? 352 ALA B O 1 ATOM 5595 C CB . ALA B 1 357 ? 249.744 67.914 11.498 1.00 67.29 ? 352 ALA B CB 1 HETATM 5596 C C1 . NAG C 2 . ? 213.988 67.556 2.619 1.00 121.72 ? 601 NAG A C1 1 HETATM 5597 C C2 . NAG C 2 . ? 213.760 66.210 3.340 1.00 126.58 ? 601 NAG A C2 1 HETATM 5598 C C3 . NAG C 2 . ? 212.414 65.604 2.944 1.00 133.08 ? 601 NAG A C3 1 HETATM 5599 C C4 . NAG C 2 . ? 211.291 66.614 3.138 1.00 132.79 ? 601 NAG A C4 1 HETATM 5600 C C5 . NAG C 2 . ? 211.613 67.888 2.370 1.00 134.23 ? 601 NAG A C5 1 HETATM 5601 C C6 . NAG C 2 . ? 210.574 68.967 2.557 1.00 136.08 ? 601 NAG A C6 1 HETATM 5602 C C7 . NAG C 2 . ? 215.112 64.200 3.781 1.00 133.23 ? 601 NAG A C7 1 HETATM 5603 C C8 . NAG C 2 . ? 216.257 63.352 3.311 1.00 133.08 ? 601 NAG A C8 1 HETATM 5604 N N2 . NAG C 2 . ? 214.841 65.277 3.038 1.00 132.15 ? 601 NAG A N2 1 HETATM 5605 O O3 . NAG C 2 . ? 212.157 64.451 3.736 1.00 136.50 ? 601 NAG A O3 1 HETATM 5606 O O4 . NAG C 2 . ? 210.059 66.076 2.672 1.00 134.92 ? 601 NAG A O4 1 HETATM 5607 O O5 . NAG C 2 . ? 212.856 68.419 2.846 1.00 133.27 ? 601 NAG A O5 1 HETATM 5608 O O6 . NAG C 2 . ? 211.102 70.251 2.252 1.00 122.78 ? 601 NAG A O6 1 HETATM 5609 O O7 . NAG C 2 . ? 214.469 63.922 4.788 1.00 132.08 ? 601 NAG A O7 1 HETATM 5610 C C1 . NAG D 2 . ? 243.480 92.395 24.996 1.00 121.79 ? 601 NAG B C1 1 HETATM 5611 C C2 . NAG D 2 . ? 244.975 92.180 25.223 1.00 118.88 ? 601 NAG B C2 1 HETATM 5612 C C3 . NAG D 2 . ? 245.407 92.871 26.518 1.00 119.26 ? 601 NAG B C3 1 HETATM 5613 C C4 . NAG D 2 . ? 244.974 94.329 26.523 1.00 131.48 ? 601 NAG B C4 1 HETATM 5614 C C5 . NAG D 2 . ? 243.481 94.437 26.228 1.00 134.52 ? 601 NAG B C5 1 HETATM 5615 C C6 . NAG D 2 . ? 243.005 95.865 26.103 1.00 133.62 ? 601 NAG B C6 1 HETATM 5616 C C7 . NAG D 2 . ? 246.527 90.296 24.999 1.00 122.72 ? 601 NAG B C7 1 HETATM 5617 C C8 . NAG D 2 . ? 246.695 88.811 25.105 1.00 112.17 ? 601 NAG B C8 1 HETATM 5618 N N2 . NAG D 2 . ? 245.304 90.772 25.265 1.00 118.47 ? 601 NAG B N2 1 HETATM 5619 O O3 . NAG D 2 . ? 246.822 92.787 26.654 1.00 133.18 ? 601 NAG B O3 1 HETATM 5620 O O4 . NAG D 2 . ? 245.245 94.912 27.793 1.00 140.98 ? 601 NAG B O4 1 HETATM 5621 O O5 . NAG D 2 . ? 243.183 93.791 24.979 1.00 126.65 ? 601 NAG B O5 1 HETATM 5622 O O6 . NAG D 2 . ? 241.608 95.969 26.343 1.00 141.46 ? 601 NAG B O6 1 HETATM 5623 O O7 . NAG D 2 . ? 247.455 91.037 24.687 1.00 123.39 ? 601 NAG B 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 . HIS A 6 ? 0.9900 1.0696 0.8555 -0.0207 0.0579 0.0469 1 HIS A N 2 C CA . HIS A 6 ? 0.9070 0.9924 0.7864 -0.0207 0.0608 0.0481 1 HIS A CA 3 C C . HIS A 6 ? 0.9601 1.0426 0.8369 -0.0213 0.0637 0.0525 1 HIS A C 4 O O . HIS A 6 ? 0.9308 1.0144 0.8123 -0.0213 0.0600 0.0553 1 HIS A O 5 C CB . HIS A 6 ? 1.0366 1.1285 0.9274 -0.0205 0.0550 0.0480 1 HIS A CB 6 C CG . HIS A 6 ? 1.0139 1.1054 0.9003 -0.0208 0.0480 0.0475 1 HIS A CG 7 N ND1 . HIS A 6 ? 1.1908 1.2780 1.0675 -0.0212 0.0434 0.0500 1 HIS A ND1 8 C CD2 . HIS A 6 ? 0.9942 1.0893 0.8853 -0.0211 0.0445 0.0453 1 HIS A CD2 9 C CE1 . HIS A 6 ? 1.2510 1.3395 1.1273 -0.0218 0.0374 0.0489 1 HIS A CE1 10 N NE2 . HIS A 6 ? 1.2548 1.3479 1.1397 -0.0219 0.0381 0.0463 1 HIS A NE2 11 N N . VAL A 7 ? 0.9755 1.0543 0.8452 -0.0217 0.0705 0.0532 2 VAL A N 12 C CA . VAL A 7 ? 0.8646 0.9405 0.7325 -0.0228 0.0743 0.0581 2 VAL A CA 13 C C . VAL A 7 ? 0.8937 0.9728 0.7693 -0.0235 0.0829 0.0571 2 VAL A C 14 O O . VAL A 7 ? 0.8570 0.9370 0.7301 -0.0228 0.0873 0.0536 2 VAL A O 15 C CB . VAL A 7 ? 0.8780 0.9460 0.7271 -0.0233 0.0743 0.0616 2 VAL A CB 16 C CG1 . VAL A 7 ? 0.9497 1.0145 0.7972 -0.0248 0.0789 0.0675 2 VAL A CG1 17 C CG2 . VAL A 7 ? 0.9519 1.0174 0.7947 -0.0227 0.0651 0.0626 2 VAL A CG2 18 N N . GLY A 8 ? 0.9325 1.0132 0.8183 -0.0247 0.0852 0.0600 3 GLY A N 19 C CA . GLY A 8 ? 0.8485 0.9332 0.7438 -0.0258 0.0929 0.0592 3 GLY A CA 20 C C . GLY A 8 ? 0.8324 0.9172 0.7372 -0.0280 0.0956 0.0633 3 GLY A C 21 O O . GLY A 8 ? 0.9109 0.9922 0.8165 -0.0284 0.0910 0.0666 3 GLY A O 22 N N . CYS A 9 ? 0.7428 0.8313 0.6556 -0.0293 0.1029 0.0629 4 CYS A N 23 C CA . CYS A 9 ? 0.7081 0.7974 0.6324 -0.0321 0.1060 0.0663 4 CYS A CA 24 C C . CYS A 9 ? 0.7216 0.8194 0.6639 -0.0322 0.1077 0.0618 4 CYS A C 25 O O . CYS A 9 ? 0.7333 0.8362 0.6776 -0.0304 0.1092 0.0573 4 CYS A O 26 C CB . CYS A 9 ? 0.7617 0.8474 0.6780 -0.0346 0.1141 0.0717 4 CYS A CB 27 S SG . CYS A 9 ? 0.8944 0.9704 0.7862 -0.0342 0.1127 0.0768 4 CYS A SG 28 N N . SER A 10 ? 0.6864 0.7854 0.6423 -0.0343 0.1070 0.0631 5 SER A N 29 C CA . SER A 10 ? 0.6811 0.7881 0.6546 -0.0347 0.1074 0.0589 5 SER A CA 30 C C . SER A 10 ? 0.7653 0.8721 0.7515 -0.0383 0.1098 0.0619 5 SER A C 31 O O . SER A 10 ? 0.8452 0.9450 0.8281 -0.0401 0.1088 0.0667 5 SER A O 32 C CB . SER A 10 ? 0.7179 0.8283 0.6965 -0.0322 0.0993 0.0541 5 SER A CB 33 O OG . SER A 10 ? 0.7780 0.8839 0.7570 -0.0323 0.0937 0.0557 5 SER A OG 34 N N . VAL A 11 ? 0.6589 0.7735 0.6606 -0.0395 0.1124 0.0589 6 VAL A N 35 C CA . VAL A 11 ? 0.7684 0.8837 0.7847 -0.0433 0.1142 0.0609 6 VAL A CA 36 C C . VAL A 11 ? 0.8124 0.9346 0.8452 -0.0429 0.1091 0.0551 6 VAL A C 37 O O . VAL A 11 ? 0.8786 1.0082 0.9154 -0.0407 0.1085 0.0505 6 VAL A O 38 C CB . VAL A 11 ? 0.8444 0.9633 0.8647 -0.0464 0.1241 0.0643 6 VAL A CB 39 C CG1 . VAL A 11 ? 0.7215 0.8491 0.7441 -0.0439 0.1279 0.0597 6 VAL A CG1 40 C CG2 . VAL A 11 ? 0.8292 0.9500 0.8674 -0.0510 0.1256 0.0661 6 VAL A CG2 41 N N . ASP A 12 ? 0.8578 0.9769 0.8994 -0.0449 0.1049 0.0553 7 ASP A N 42 C CA . ASP A 12 ? 0.9457 1.0707 1.0028 -0.0451 0.1001 0.0498 7 ASP A CA 43 C C . ASP A 12 ? 1.0278 1.1542 1.1009 -0.0500 0.1035 0.0516 7 ASP A C 44 O O . ASP A 12 ? 1.0519 1.1709 1.1275 -0.0528 0.1027 0.0550 7 ASP A O 45 C CB . ASP A 12 ? 1.0608 1.1818 1.1162 -0.0429 0.0917 0.0468 7 ASP A CB 46 C CG . ASP A 12 ? 1.1111 1.2376 1.1812 -0.0432 0.0865 0.0408 7 ASP A CG 47 O OD1 . ASP A 12 ? 1.1061 1.2414 1.1849 -0.0434 0.0875 0.0377 7 ASP A OD1 48 O OD2 . ASP A 12 ? 1.1658 1.2879 1.2387 -0.0429 0.0812 0.0389 7 ASP A OD2 49 N N . PHE A 13 ? 0.8607 0.9966 0.9452 -0.0510 0.1070 0.0495 8 PHE A N 50 C CA . PHE A 13 ? 0.8725 1.0116 0.9739 -0.0560 0.1107 0.0512 8 PHE A CA 51 C C . PHE A 13 ? 0.9116 1.0498 1.0265 -0.0578 0.1033 0.0473 8 PHE A C 52 O O . PHE A 13 ? 0.9224 1.0574 1.0480 -0.0625 0.1043 0.0501 8 PHE A O 53 C CB . PHE A 13 ? 0.7977 0.9485 0.9093 -0.0560 0.1157 0.0492 8 PHE A CB 54 C CG . PHE A 13 ? 0.8119 0.9642 0.9113 -0.0538 0.1233 0.0517 8 PHE A CG 55 C CD1 . PHE A 13 ? 0.7879 0.9370 0.8822 -0.0567 0.1320 0.0582 8 PHE A CD1 56 C CD2 . PHE A 13 ? 0.8283 0.9848 0.9211 -0.0488 0.1218 0.0475 8 PHE A CD2 57 C CE1 . PHE A 13 ? 0.7008 0.8513 0.7829 -0.0544 0.1390 0.0597 8 PHE A CE1 58 C CE2 . PHE A 13 ? 0.7652 0.9222 0.8469 -0.0466 0.1284 0.0489 8 PHE A CE2 59 C CZ . PHE A 13 ? 0.7170 0.8711 0.7930 -0.0492 0.1371 0.0546 8 PHE A CZ 60 N N . SER A 14 ? 1.1682 1.3095 1.2825 -0.0541 0.0958 0.0408 9 SER A N 61 C CA . SER A 14 ? 1.2350 1.3767 1.3609 -0.0550 0.0882 0.0355 9 SER A CA 62 C C . SER A 14 ? 1.2724 1.4027 1.3975 -0.0569 0.0855 0.0376 9 SER A C 63 O O . SER A 14 ? 1.3193 1.4478 1.4583 -0.0606 0.0831 0.0364 9 SER A O 64 C CB . SER A 14 ? 1.2638 1.4101 1.3846 -0.0501 0.0813 0.0290 9 SER A CB 65 O OG . SER A 14 ? 1.3247 1.4731 1.4566 -0.0508 0.0743 0.0230 9 SER A OG 66 N N . LYS A 15 ? 1.0585 1.1809 1.1682 -0.0543 0.0854 0.0407 10 LYS A N 67 C CA . LYS A 15 ? 1.0788 1.1896 1.1870 -0.0555 0.0827 0.0434 10 LYS A CA 68 C C . LYS A 15 ? 1.0809 1.1845 1.1831 -0.0586 0.0896 0.0527 10 LYS A C 69 O O . LYS A 15 ? 1.0463 1.1393 1.1443 -0.0592 0.0880 0.0567 10 LYS A O 70 C CB . LYS A 15 ? 1.1441 1.2511 1.2406 -0.0502 0.0767 0.0402 10 LYS A CB 71 C CG . LYS A 15 ? 1.2269 1.3394 1.3294 -0.0475 0.0695 0.0313 10 LYS A CG 72 C CD . LYS A 15 ? 1.2724 1.3897 1.3623 -0.0421 0.0671 0.0283 10 LYS A CD 73 C CE . LYS A 15 ? 1.2903 1.4151 1.3856 -0.0398 0.0610 0.0200 10 LYS A CE 74 N NZ . LYS A 15 ? 1.3192 1.4518 1.4272 -0.0427 0.0616 0.0174 10 LYS A NZ 75 N N . LYS A 16 ? 1.1491 1.2589 1.2508 -0.0604 0.0973 0.0561 11 LYS A N 76 C CA . LYS A 16 ? 1.1072 1.2122 1.2038 -0.0640 0.1052 0.0650 11 LYS A CA 77 C C . LYS A 16 ? 1.0727 1.1676 1.1508 -0.0617 0.1045 0.0701 11 LYS A C 78 O O . LYS A 16 ? 1.1326 1.2172 1.2105 -0.0635 0.1021 0.0743 11 LYS A O 79 C CB . LYS A 16 ? 1.0596 1.1610 1.1721 -0.0704 0.1065 0.0687 11 LYS A CB 80 C CG . LYS A 16 ? 1.1643 1.2759 1.2969 -0.0731 0.1063 0.0636 11 LYS A CG 81 C CD . LYS A 16 ? 1.2089 1.3156 1.3585 -0.0792 0.1048 0.0657 11 LYS A CD 82 C CE . LYS A 16 ? 1.2329 1.3359 1.3831 -0.0849 0.1136 0.0761 11 LYS A CE 83 N NZ . LYS A 16 ? 1.2910 1.3889 1.4592 -0.0915 0.1120 0.0785 11 LYS A NZ 84 N N . GLU A 17 ? 1.2633 1.3607 1.3262 -0.0578 0.1061 0.0697 12 GLU A N 85 C CA . GLU A 17 ? 1.2574 1.3463 1.3027 -0.0551 0.1039 0.0733 12 GLU A CA 86 C C . GLU A 17 ? 1.2491 1.3410 1.2781 -0.0522 0.1078 0.0740 12 GLU A C 87 O O . GLU A 17 ? 1.1157 1.2164 1.1465 -0.0505 0.1096 0.0693 12 GLU A O 88 C CB . GLU A 17 ? 1.3571 1.4433 1.4027 -0.0511 0.0946 0.0680 12 GLU A CB 89 C CG . GLU A 17 ? 1.4663 1.5623 1.5176 -0.0481 0.0909 0.0594 12 GLU A CG 90 C CD . GLU A 17 ? 1.6554 1.7499 1.7137 -0.0460 0.0827 0.0538 12 GLU A CD 91 O OE1 . GLU A 17 ? 1.7863 1.8872 1.8436 -0.0424 0.0787 0.0476 12 GLU A OE1 92 O OE2 . GLU A 17 ? 1.7176 1.8042 1.7822 -0.0479 0.0805 0.0556 12 GLU A OE2 93 N N . THR A 18 ? 1.0677 1.1517 1.0807 -0.0517 0.1086 0.0799 13 THR A N 94 C CA . THR A 18 ? 0.9531 1.0382 0.9490 -0.0491 0.1115 0.0805 13 THR A CA 95 C C . THR A 18 ? 0.9424 1.0201 0.9237 -0.0459 0.1052 0.0820 13 THR A C 96 O O . THR A 18 ? 1.0005 1.0698 0.9810 -0.0467 0.1017 0.0864 13 THR A O 97 C CB . THR A 18 ? 0.9958 1.0803 0.9844 -0.0523 0.1211 0.0868 13 THR A CB 98 O OG1 . THR A 18 ? 1.1336 1.2089 1.1202 -0.0558 0.1218 0.0950 13 THR A OG1 99 C CG2 . THR A 18 ? 0.9871 1.0813 0.9902 -0.0548 0.1280 0.0846 13 THR A CG2 100 N N . ARG A 19 ? 0.8890 0.9695 0.8595 -0.0424 0.1034 0.0786 14 ARG A N 101 C CA . ARG A 19 ? 0.8328 0.9083 0.7921 -0.0392 0.0965 0.0789 14 ARG A CA 102 C C . ARG A 19 ? 0.8089 0.8854 0.7521 -0.0369 0.0971 0.0779 14 ARG A C 103 O O . ARG A 19 ? 0.8694 0.9524 0.8135 -0.0361 0.1003 0.0736 14 ARG A O 104 C CB . ARG A 19 ? 0.9240 1.0030 0.8939 -0.0366 0.0890 0.0729 14 ARG A CB 105 C CG . ARG A 19 ? 0.9412 1.0206 0.9022 -0.0327 0.0826 0.0705 14 ARG A CG 106 C CD . ARG A 19 ? 1.0888 1.1598 1.0430 -0.0317 0.0778 0.0753 14 ARG A CD 107 N NE . ARG A 19 ? 1.0876 1.1606 1.0377 -0.0280 0.0711 0.0723 14 ARG A NE 108 C CZ . ARG A 19 ? 1.2242 1.2920 1.1699 -0.0261 0.0656 0.0753 14 ARG A CZ 109 N NH1 . ARG A 19 ? 1.1460 1.2175 1.0896 -0.0229 0.0599 0.0723 14 ARG A NH1 110 N NH2 . ARG A 19 ? 1.3109 1.3698 1.2547 -0.0274 0.0656 0.0815 14 ARG A NH2 111 N N . CYS A 20 ? 0.7517 0.8213 0.6806 -0.0358 0.0937 0.0819 15 CYS A N 112 C CA . CYS A 20 ? 0.8369 0.9065 0.7504 -0.0335 0.0926 0.0804 15 CYS A CA 113 C C . CYS A 20 ? 0.7683 0.8363 0.6786 -0.0306 0.0834 0.0792 15 CYS A C 114 O O . CYS A 20 ? 0.7002 0.7656 0.6172 -0.0301 0.0786 0.0808 15 CYS A O 115 C CB . CYS A 20 ? 0.9573 1.0208 0.8538 -0.0351 0.0974 0.0864 15 CYS A CB 116 S SG . CYS A 20 ? 0.8412 0.9092 0.7359 -0.0371 0.1091 0.0858 15 CYS A SG 117 N N . GLY A 21 ? 0.7877 0.8574 0.6885 -0.0287 0.0810 0.0761 16 GLY A N 118 C CA . GLY A 21 ? 0.7625 0.8316 0.6600 -0.0263 0.0726 0.0754 16 GLY A CA 119 C C . GLY A 21 ? 0.8168 0.8909 0.7114 -0.0246 0.0699 0.0701 16 GLY A C 120 O O . GLY A 21 ? 0.8175 0.8939 0.7093 -0.0249 0.0744 0.0672 16 GLY A O 121 N N . THR A 22 ? 0.9237 0.9994 0.8197 -0.0228 0.0625 0.0690 17 THR A N 122 C CA . THR A 22 ? 0.8888 0.9691 0.7833 -0.0216 0.0590 0.0648 17 THR A CA 123 C C . THR A 22 ? 0.8305 0.9188 0.7397 -0.0204 0.0561 0.0609 17 THR A C 124 O O . THR A 22 ? 0.8688 0.9583 0.7869 -0.0197 0.0541 0.0615 17 THR A O 125 C CB . THR A 22 ? 0.8756 0.9523 0.7588 -0.0208 0.0525 0.0669 17 THR A CB 126 O OG1 . THR A 22 ? 1.0805 1.1636 0.9715 -0.0194 0.0465 0.0642 17 THR A OG1 127 C CG2 . THR A 22 ? 0.8859 0.9561 0.7645 -0.0207 0.0505 0.0728 17 THR A CG2 128 N N . GLY A 23 ? 0.7687 0.8624 0.6800 -0.0202 0.0558 0.0568 18 GLY A N 129 C CA . GLY A 23 ? 0.7408 0.8426 0.6644 -0.0192 0.0533 0.0535 18 GLY A CA 130 C C . GLY A 23 ? 0.7302 0.8365 0.6554 -0.0194 0.0543 0.0499 18 GLY A C 131 O O . GLY A 23 ? 0.7404 0.8436 0.6567 -0.0199 0.0546 0.0495 18 GLY A O 132 N N . VAL A 24 ? 0.7725 0.8858 0.7090 -0.0190 0.0545 0.0471 19 VAL A N 133 C CA . VAL A 24 ? 0.8018 0.9195 0.7411 -0.0191 0.0548 0.0442 19 VAL A CA 134 C C . VAL A 24 ? 0.7715 0.8917 0.7188 -0.0194 0.0597 0.0423 19 VAL A C 135 O O . VAL A 24 ? 0.6887 0.8117 0.6446 -0.0194 0.0604 0.0417 19 VAL A O 136 C CB . VAL A 24 ? 0.7840 0.9092 0.7290 -0.0185 0.0499 0.0431 19 VAL A CB 137 C CG1 . VAL A 24 ? 0.7943 0.9231 0.7418 -0.0188 0.0499 0.0411 19 VAL A CG1 138 C CG2 . VAL A 24 ? 0.7193 0.8431 0.6580 -0.0185 0.0451 0.0451 19 VAL A CG2 139 N N . PHE A 25 ? 0.6817 0.8008 0.6268 -0.0194 0.0628 0.0410 20 PHE A N 140 C CA . PHE A 25 ? 0.6605 0.7818 0.6132 -0.0196 0.0679 0.0394 20 PHE A CA 141 C C . PHE A 25 ? 0.6836 0.8097 0.6421 -0.0187 0.0673 0.0366 20 PHE A C 142 O O . PHE A 25 ? 0.6647 0.7880 0.6175 -0.0181 0.0675 0.0358 20 PHE A O 143 C CB . PHE A 25 ? 0.6416 0.7569 0.5871 -0.0202 0.0738 0.0407 20 PHE A CB 144 C CG . PHE A 25 ? 0.7109 0.8201 0.6476 -0.0211 0.0738 0.0444 20 PHE A CG 145 C CD1 . PHE A 25 ? 0.7895 0.8990 0.7318 -0.0217 0.0724 0.0463 20 PHE A CD1 146 C CD2 . PHE A 25 ? 0.8211 0.9237 0.7437 -0.0211 0.0747 0.0459 20 PHE A CD2 147 C CE1 . PHE A 25 ? 0.7513 0.8546 0.6860 -0.0222 0.0717 0.0502 20 PHE A CE1 148 C CE2 . PHE A 25 ? 0.8590 0.9558 0.7730 -0.0218 0.0741 0.0498 20 PHE A CE2 149 C CZ . PHE A 25 ? 0.8282 0.9253 0.7486 -0.0224 0.0725 0.0523 20 PHE A CZ 150 N N . VAL A 26 ? 0.6429 0.7758 0.6126 -0.0186 0.0663 0.0351 21 VAL A N 151 C CA . VAL A 26 ? 0.6467 0.7843 0.6226 -0.0177 0.0653 0.0331 21 VAL A CA 152 C C . VAL A 26 ? 0.6923 0.8319 0.6764 -0.0175 0.0704 0.0316 21 VAL A C 153 O O . VAL A 26 ? 0.6577 0.8009 0.6504 -0.0183 0.0715 0.0311 21 VAL A O 154 C CB . VAL A 26 ? 0.6126 0.7575 0.5951 -0.0175 0.0604 0.0323 21 VAL A CB 155 C CG1 . VAL A 26 ? 0.5982 0.7479 0.5873 -0.0166 0.0592 0.0309 21 VAL A CG1 156 C CG2 . VAL A 26 ? 0.5475 0.6921 0.5234 -0.0177 0.0559 0.0339 21 VAL A CG2 157 N N . TYR A 27 ? 0.6719 0.8091 0.6537 -0.0164 0.0732 0.0306 22 TYR A N 158 C CA . TYR A 27 ? 0.6543 0.7943 0.6447 -0.0158 0.0785 0.0291 22 TYR A CA 159 C C . TYR A 27 ? 0.6299 0.7760 0.6304 -0.0143 0.0758 0.0272 22 TYR A C 160 O O . TYR A 27 ? 0.6736 0.8198 0.6718 -0.0135 0.0707 0.0273 22 TYR A O 161 C CB . TYR A 27 ? 0.7607 0.8950 0.7429 -0.0149 0.0841 0.0287 22 TYR A CB 162 C CG . TYR A 27 ? 0.7870 0.9156 0.7589 -0.0165 0.0875 0.0311 22 TYR A CG 163 C CD1 . TYR A 27 ? 0.7580 0.8875 0.7337 -0.0179 0.0937 0.0325 22 TYR A CD1 164 C CD2 . TYR A 27 ? 0.7338 0.8560 0.6922 -0.0168 0.0843 0.0325 22 TYR A CD2 165 C CE1 . TYR A 27 ? 0.7414 0.8651 0.7069 -0.0195 0.0966 0.0356 22 TYR A CE1 166 C CE2 . TYR A 27 ? 0.7294 0.8462 0.6778 -0.0180 0.0867 0.0352 22 TYR A CE2 167 C CZ . TYR A 27 ? 0.7007 0.8179 0.6522 -0.0194 0.0929 0.0369 22 TYR A CZ 168 O OH . TYR A 27 ? 0.6830 0.7944 0.6239 -0.0208 0.0951 0.0404 22 TYR A OH 169 N N . ASN A 28 ? 0.6750 0.8262 0.6872 -0.0140 0.0791 0.0259 23 ASN A N 170 C CA . ASN A 28 ? 0.5986 0.7554 0.6210 -0.0121 0.0768 0.0242 23 ASN A CA 171 C C . ASN A 28 ? 0.6916 0.8447 0.7109 -0.0095 0.0790 0.0228 23 ASN A C 172 O O . ASN A 28 ? 0.8339 0.9884 0.8589 -0.0081 0.0847 0.0212 23 ASN A O 173 C CB . ASN A 28 ? 0.6265 0.7907 0.6637 -0.0127 0.0792 0.0230 23 ASN A CB 174 C CG . ASN A 28 ? 0.6461 0.8172 0.6944 -0.0110 0.0747 0.0217 23 ASN A CG 175 O OD1 . ASN A 28 ? 0.6403 0.8101 0.6873 -0.0086 0.0724 0.0214 23 ASN A OD1 176 N ND2 . ASN A 28 ? 0.6442 0.8222 0.7038 -0.0122 0.0728 0.0209 23 ASN A ND2 177 N N . ASP A 29 ? 0.9892 1.1373 0.9998 -0.0087 0.0747 0.0233 24 ASP A N 178 C CA . ASP A 29 ? 1.1044 1.2476 1.1118 -0.0061 0.0756 0.0216 24 ASP A CA 179 C C . ASP A 29 ? 1.1252 1.2720 1.1423 -0.0040 0.0711 0.0212 24 ASP A C 180 O O . ASP A 29 ? 1.2264 1.3681 1.2400 -0.0023 0.0683 0.0207 24 ASP A O 181 C CB . ASP A 29 ? 1.1959 1.3307 1.1888 -0.0068 0.0729 0.0224 24 ASP A CB 182 C CG . ASP A 29 ? 1.2904 1.4195 1.2722 -0.0076 0.0782 0.0221 24 ASP A CG 183 O OD1 . ASP A 29 ? 1.4292 1.5552 1.4088 -0.0056 0.0835 0.0195 24 ASP A OD1 184 O OD2 . ASP A 29 ? 1.2270 1.3548 1.2021 -0.0100 0.0770 0.0243 24 ASP A OD2 185 N N . VAL A 30 ? 0.7806 0.9358 0.8100 -0.0041 0.0698 0.0214 25 VAL A N 186 C CA . VAL A 30 ? 0.8222 0.9814 0.8606 -0.0022 0.0646 0.0217 25 VAL A CA 187 C C . VAL A 30 ? 0.8868 1.0434 0.9301 0.0016 0.0672 0.0193 25 VAL A C 188 O O . VAL A 30 ? 0.8855 1.0410 0.9294 0.0028 0.0742 0.0168 25 VAL A O 189 C CB . VAL A 30 ? 0.7144 0.8835 0.7651 -0.0029 0.0627 0.0218 25 VAL A CB 190 C CG1 . VAL A 30 ? 0.7552 0.9294 0.8203 -0.0002 0.0653 0.0197 25 VAL A CG1 191 C CG2 . VAL A 30 ? 0.5815 0.7537 0.6316 -0.0037 0.0547 0.0242 25 VAL A CG2 192 N N . GLU A 31 ? 1.2826 1.4380 1.3289 0.0036 0.0615 0.0202 26 GLU A N 193 C CA . GLU A 31 ? 1.3510 1.5015 1.4005 0.0076 0.0624 0.0180 26 GLU A CA 194 C C . GLU A 31 ? 1.3819 1.5218 1.4176 0.0076 0.0648 0.0164 26 GLU A C 195 O O . GLU A 31 ? 1.4090 1.5471 1.4393 0.0075 0.0716 0.0140 26 GLU A O 196 C CB . GLU A 31 ? 1.2371 1.3935 1.2997 0.0107 0.0683 0.0147 26 GLU A CB 197 C CG . GLU A 31 ? 1.3618 1.5162 1.4331 0.0157 0.0672 0.0126 26 GLU A CG 198 C CD . GLU A 31 ? 1.4548 1.6183 1.5423 0.0174 0.0627 0.0140 26 GLU A CD 199 O OE1 . GLU A 31 ? 1.2956 1.4686 1.3923 0.0162 0.0652 0.0137 26 GLU A OE1 200 O OE2 . GLU A 31 ? 1.3769 1.5379 1.4681 0.0198 0.0563 0.0155 26 GLU A OE2 201 N N . ALA A 32 ? 1.2593 1.3920 1.2888 0.0075 0.0590 0.0179 27 ALA A N 202 C CA . ALA A 32 ? 1.3111 1.4331 1.3289 0.0078 0.0600 0.0157 27 ALA A CA 203 C C . ALA A 32 ? 1.5299 1.6492 1.5513 0.0124 0.0662 0.0104 27 ALA A C 204 O O . ALA A 32 ? 1.5788 1.6947 1.6066 0.0160 0.0640 0.0087 27 ALA A O 205 C CB . ALA A 32 ? 1.3123 1.4275 1.3269 0.0071 0.0523 0.0182 27 ALA A CB 206 N N . TRP A 33 ? 1.5872 1.7083 1.6047 0.0122 0.0741 0.0080 28 TRP A N 207 C CA . TRP A 33 ? 1.6667 1.7895 1.6899 0.0163 0.0819 0.0033 28 TRP A CA 208 C C . TRP A 33 ? 1.6783 1.7932 1.7023 0.0211 0.0809 -0.0010 28 TRP A C 209 O O . TRP A 33 ? 1.6448 1.7509 1.6570 0.0222 0.0834 -0.0047 28 TRP A O 210 C CB . TRP A 33 ? 1.5759 1.6976 1.5880 0.0147 0.0899 0.0018 28 TRP A CB 211 C CG . TRP A 33 ? 1.6420 1.7716 1.6561 0.0106 0.0918 0.0056 28 TRP A CG 212 C CD1 . TRP A 33 ? 1.6547 1.7817 1.6566 0.0067 0.0919 0.0081 28 TRP A CD1 213 C CD2 . TRP A 33 ? 1.5828 1.7233 1.6124 0.0102 0.0932 0.0070 28 TRP A CD2 214 N NE1 . TRP A 33 ? 1.5674 1.7024 1.5764 0.0039 0.0935 0.0110 28 TRP A NE1 215 C CE2 . TRP A 33 ? 1.5375 1.6809 1.5633 0.0058 0.0942 0.0102 28 TRP A CE2 216 C CE3 . TRP A 33 ? 1.5326 1.6807 1.5796 0.0131 0.0931 0.0059 28 TRP A CE3 217 C CZ2 . TRP A 33 ? 1.5882 1.7412 1.6267 0.0040 0.0951 0.0118 28 TRP A CZ2 218 C CZ3 . TRP A 33 ? 1.4961 1.6546 1.5556 0.0112 0.0939 0.0077 28 TRP A CZ3 219 C CH2 . TRP A 33 ? 1.5625 1.7229 1.6175 0.0066 0.0949 0.0105 28 TRP A CH2 220 N N . ARG A 34 ? 1.4224 1.5405 1.4607 0.0240 0.0769 -0.0005 29 ARG A N 221 C CA . ARG A 34 ? 1.5344 1.6449 1.5766 0.0287 0.0737 -0.0035 29 ARG A CA 222 C C . ARG A 34 ? 1.5913 1.6960 1.6292 0.0333 0.0810 -0.0108 29 ARG A C 223 O O . ARG A 34 ? 1.5952 1.6894 1.6298 0.0363 0.0780 -0.0141 29 ARG A O 224 C CB . ARG A 34 ? 1.6200 1.7378 1.6810 0.0319 0.0703 -0.0020 29 ARG A CB 225 C CG . ARG A 34 ? 1.5837 1.7154 1.6569 0.0318 0.0757 -0.0016 29 ARG A CG 226 N N . ASP A 35 ? 1.7986 1.9099 1.8363 0.0337 0.0905 -0.0132 30 ASP A N 227 C CA . ASP A 35 ? 1.9041 2.0115 1.9365 0.0380 0.0987 -0.0202 30 ASP A CA 228 C C . ASP A 35 ? 1.8417 1.9370 1.8527 0.0360 0.0982 -0.0223 30 ASP A C 229 O O . ASP A 35 ? 1.8070 1.8946 1.8111 0.0400 0.1014 -0.0288 30 ASP A O 230 C CB . ASP A 35 ? 1.8654 1.9842 1.9031 0.0382 0.1095 -0.0211 30 ASP A CB 231 C CG . ASP A 35 ? 1.7411 1.8726 1.8012 0.0401 0.1099 -0.0195 30 ASP A CG 232 N N . ARG A 36 ? 1.6800 1.7735 1.6803 0.0300 0.0938 -0.0172 31 ARG A N 233 C CA . ARG A 36 ? 1.6827 1.7669 1.6625 0.0276 0.0942 -0.0188 31 ARG A CA 234 C C . ARG A 36 ? 1.6446 1.7226 1.6125 0.0220 0.0859 -0.0143 31 ARG A C 235 O O . ARG A 36 ? 1.5551 1.6362 1.5153 0.0180 0.0874 -0.0109 31 ARG A O 236 C CB . ARG A 36 ? 1.6114 1.7012 1.5842 0.0267 0.1043 -0.0195 31 ARG A CB 237 C CG . ARG A 36 ? 1.6861 1.7697 1.6465 0.0303 0.1115 -0.0265 31 ARG A CG 238 C CD . ARG A 36 ? 1.8188 1.9097 1.7917 0.0359 0.1204 -0.0312 31 ARG A CD 239 N NE . ARG A 36 ? 1.9798 2.0640 1.9411 0.0403 0.1267 -0.0391 31 ARG A NE 240 C CZ . ARG A 36 ? 1.9462 2.0317 1.9168 0.0470 0.1316 -0.0457 31 ARG A CZ 241 N NH1 . ARG A 36 ? 1.9065 1.9856 1.8644 0.0510 0.1374 -0.0534 31 ARG A NH1 242 N NH2 . ARG A 36 ? 1.9174 2.0104 1.9096 0.0499 0.1305 -0.0449 31 ARG A NH2 243 N N . TYR A 37 ? 1.2047 1.2737 1.1720 0.0225 0.0780 -0.0150 32 TYR A N 244 C CA . TYR A 37 ? 1.0668 1.1275 1.0224 0.0183 0.0706 -0.0129 32 TYR A CA 245 C C . TYR A 37 ? 1.0537 1.1022 1.0083 0.0209 0.0653 -0.0173 32 TYR A C 246 O O . TYR A 37 ? 1.0142 1.0626 0.9816 0.0245 0.0637 -0.0182 32 TYR A O 247 C CB . TYR A 37 ? 0.9811 1.0478 0.9434 0.0139 0.0640 -0.0053 32 TYR A CB 248 C CG . TYR A 37 ? 0.9968 1.0730 0.9577 0.0105 0.0672 -0.0010 32 TYR A CG 249 C CD1 . TYR A 37 ? 1.0628 1.1499 1.0359 0.0112 0.0708 0.0010 32 TYR A CD1 250 C CD2 . TYR A 37 ? 1.0421 1.1162 0.9902 0.0065 0.0660 0.0010 32 TYR A CD2 251 C CE1 . TYR A 37 ? 1.1102 1.2049 1.0826 0.0080 0.0733 0.0046 32 TYR A CE1 252 C CE2 . TYR A 37 ? 1.0168 1.0987 0.9643 0.0037 0.0685 0.0048 32 TYR A CE2 253 C CZ . TYR A 37 ? 1.0011 1.0929 0.9608 0.0045 0.0722 0.0064 32 TYR A CZ 254 O OH . TYR A 37 ? 1.0204 1.1189 0.9799 0.0016 0.0743 0.0099 32 TYR A OH 255 N N . LYS A 38 ? 1.0700 1.1079 1.0101 0.0191 0.0620 -0.0200 33 LYS A N 256 C CA . LYS A 38 ? 1.0115 1.0368 0.9509 0.0200 0.0546 -0.0229 33 LYS A CA 257 C C . LYS A 38 ? 1.0170 1.0410 0.9571 0.0141 0.0451 -0.0159 33 LYS A C 258 O O . LYS A 38 ? 1.0358 1.0635 0.9682 0.0093 0.0441 -0.0120 33 LYS A O 259 C CB . LYS A 38 ? 1.0061 1.0199 0.9295 0.0217 0.0561 -0.0309 33 LYS A CB 260 C CG . LYS A 38 ? 0.9799 0.9905 0.9048 0.0289 0.0629 -0.0397 33 LYS A CG 261 C CD . LYS A 38 ? 1.1528 1.1709 1.0699 0.0306 0.0740 -0.0423 33 LYS A CD 262 C CE . LYS A 38 ? 1.2496 1.2786 1.1823 0.0352 0.0818 -0.0427 33 LYS A CE 263 N NZ . LYS A 38 ? 1.3097 1.3474 1.2360 0.0356 0.0927 -0.0435 33 LYS A NZ 264 N N . TYR A 39 ? 0.9099 0.9287 0.8595 0.0143 0.0382 -0.0140 34 TYR A N 265 C CA . TYR A 39 ? 0.8512 0.8703 0.8030 0.0085 0.0298 -0.0065 34 TYR A CA 266 C C . TYR A 39 ? 0.8691 0.8742 0.8147 0.0062 0.0222 -0.0085 34 TYR A C 267 O O . TYR A 39 ? 0.9077 0.9016 0.8539 0.0100 0.0210 -0.0146 34 TYR A O 268 C CB . TYR A 39 ? 0.8105 0.8357 0.7780 0.0091 0.0269 -0.0005 34 TYR A CB 269 C CG . TYR A 39 ? 0.7913 0.8302 0.7662 0.0111 0.0334 0.0011 34 TYR A CG 270 C CD1 . TYR A 39 ? 0.7713 0.8213 0.7454 0.0071 0.0343 0.0068 34 TYR A CD1 271 C CD2 . TYR A 39 ? 0.8100 0.8509 0.7934 0.0172 0.0387 -0.0033 34 TYR A CD2 272 C CE1 . TYR A 39 ? 0.7750 0.8368 0.7562 0.0086 0.0396 0.0080 34 TYR A CE1 273 C CE2 . TYR A 39 ? 0.8192 0.8728 0.8104 0.0187 0.0443 -0.0018 34 TYR A CE2 274 C CZ . TYR A 39 ? 0.8169 0.8805 0.8068 0.0142 0.0445 0.0038 34 TYR A CZ 275 O OH . TYR A 39 ? 0.8773 0.9529 0.8754 0.0153 0.0494 0.0050 34 TYR A OH 276 N N . HIS A 40 ? 1.0010 1.0068 0.9412 -0.0001 0.0170 -0.0036 35 HIS A N 277 C CA . HIS A 40 ? 0.9193 0.9132 0.8550 -0.0036 0.0089 -0.0044 35 HIS A CA 278 C C . HIS A 40 ? 0.9045 0.9019 0.8483 -0.0094 0.0017 0.0050 35 HIS A C 279 O O . HIS A 40 ? 0.9344 0.9360 0.8737 -0.0148 -0.0012 0.0092 35 HIS A O 280 C CB . HIS A 40 ? 0.9730 0.9637 0.8929 -0.0060 0.0092 -0.0081 35 HIS A CB 281 C CG . HIS A 40 ? 1.0459 1.0351 0.9558 -0.0009 0.0172 -0.0162 35 HIS A CG 282 N ND1 . HIS A 40 ? 0.9709 0.9474 0.8732 0.0027 0.0173 -0.0253 35 HIS A ND1 283 C CD2 . HIS A 40 ? 1.0738 1.0726 0.9796 0.0009 0.0255 -0.0163 35 HIS A CD2 284 C CE1 . HIS A 40 ? 1.0548 1.0340 0.9483 0.0067 0.0259 -0.0307 35 HIS A CE1 285 N NE2 . HIS A 40 ? 1.1454 1.1380 1.0412 0.0054 0.0309 -0.0249 35 HIS A NE2 286 N N . PRO A 41 ? 0.8302 0.8266 0.7863 -0.0081 -0.0012 0.0086 36 PRO A N 287 C CA . PRO A 41 ? 0.8800 0.8793 0.8435 -0.0136 -0.0080 0.0180 36 PRO A CA 288 C C . PRO A 41 ? 0.9420 0.9285 0.9032 -0.0181 -0.0162 0.0180 36 PRO A C 289 O O . PRO A 41 ? 0.9670 0.9417 0.9337 -0.0166 -0.0207 0.0166 36 PRO A O 290 C CB . PRO A 41 ? 0.8448 0.8453 0.8208 -0.0099 -0.0083 0.0209 36 PRO A CB 291 C CG . PRO A 41 ? 0.9090 0.9001 0.8850 -0.0029 -0.0051 0.0117 36 PRO A CG 292 C CD . PRO A 41 ? 0.7967 0.7896 0.7606 -0.0013 0.0017 0.0045 36 PRO A CD 293 N N . ASP A 42 ? 0.9643 0.9531 0.9182 -0.0235 -0.0184 0.0196 37 ASP A N 294 C CA . ASP A 42 ? 0.9858 0.9633 0.9368 -0.0283 -0.0263 0.0188 37 ASP A CA 295 C C . ASP A 42 ? 1.1124 1.0738 1.0567 -0.0242 -0.0272 0.0081 37 ASP A C 296 O O . ASP A 42 ? 1.0774 1.0378 1.0176 -0.0177 -0.0207 0.0011 37 ASP A O 297 C CB . ASP A 42 ? 0.9888 0.9636 0.9512 -0.0328 -0.0335 0.0271 37 ASP A CB 298 C CG . ASP A 42 ? 1.0982 1.0861 1.0637 -0.0396 -0.0352 0.0369 37 ASP A CG 299 O OD1 . ASP A 42 ? 1.1036 1.0897 1.0663 -0.0453 -0.0400 0.0381 37 ASP A OD1 300 O OD2 . ASP A 42 ? 1.0039 1.0041 0.9748 -0.0392 -0.0319 0.0432 37 ASP A OD2 301 N N . SER A 43 ? 1.3033 1.2524 1.2465 -0.0283 -0.0352 0.0068 38 SER A N 302 C CA . SER A 43 ? 1.2957 1.2276 1.2344 -0.0245 -0.0376 -0.0033 38 SER A CA 303 C C . SER A 43 ? 1.2713 1.1961 1.2224 -0.0208 -0.0392 -0.0021 38 SER A C 304 O O . SER A 43 ? 1.2155 1.1444 1.1777 -0.0243 -0.0428 0.0076 38 SER A O 305 C CB . SER A 43 ? 1.4078 1.3283 1.3418 -0.0304 -0.0467 -0.0053 38 SER A CB 306 O OG . SER A 43 ? 1.3772 1.2959 1.3229 -0.0368 -0.0543 0.0037 38 SER A OG 307 N N . PRO A 44 ? 1.1248 1.0397 1.0740 -0.0133 -0.0363 -0.0118 39 PRO A N 308 C CA . PRO A 44 ? 1.0942 1.0012 1.0555 -0.0084 -0.0378 -0.0122 39 PRO A CA 309 C C . PRO A 44 ? 1.0753 0.9721 1.0465 -0.0138 -0.0482 -0.0053 39 PRO A C 310 O O . PRO A 44 ? 1.0973 0.9963 1.0809 -0.0134 -0.0499 0.0023 39 PRO A O 311 C CB . PRO A 44 ? 1.1257 1.0200 1.0797 -0.0012 -0.0351 -0.0260 39 PRO A CB 312 C CG . PRO A 44 ? 1.1059 1.0092 1.0455 -0.0001 -0.0273 -0.0310 39 PRO A CG 313 C CD . PRO A 44 ? 1.0919 1.0033 1.0269 -0.0087 -0.0308 -0.0232 39 PRO A CD 314 N N . ARG A 45 ? 1.1459 1.0320 1.1119 -0.0192 -0.0552 -0.0076 40 ARG A N 315 C CA . ARG A 45 ? 1.1643 1.0396 1.1396 -0.0253 -0.0655 -0.0013 40 ARG A CA 316 C C . ARG A 45 ? 1.1739 1.0630 1.1570 -0.0326 -0.0672 0.0134 40 ARG A C 317 O O . ARG A 45 ? 1.2351 1.1207 1.2299 -0.0350 -0.0722 0.0217 40 ARG A O 318 C CB . ARG A 45 ? 1.2062 1.0684 1.1736 -0.0300 -0.0725 -0.0076 40 ARG A CB 319 C CG . ARG A 45 ? 1.2479 1.0994 1.2030 -0.0232 -0.0696 -0.0229 40 ARG A CG 320 C CD . ARG A 45 ? 1.1873 1.0180 1.1406 -0.0256 -0.0793 -0.0300 40 ARG A CD 321 N NE . ARG A 45 ? 1.2448 1.0764 1.1947 -0.0353 -0.0863 -0.0260 40 ARG A NE 322 C CZ . ARG A 45 ? 1.2705 1.1011 1.2060 -0.0367 -0.0869 -0.0335 40 ARG A CZ 323 N NH1 . ARG A 45 ? 1.3149 1.1434 1.2368 -0.0292 -0.0804 -0.0452 40 ARG A NH1 324 N NH2 . ARG A 45 ? 1.4027 1.2349 1.3374 -0.0457 -0.0940 -0.0290 40 ARG A NH2 325 N N . ARG A 46 ? 1.2093 1.1141 1.1859 -0.0361 -0.0630 0.0165 41 ARG A N 326 C CA . ARG A 46 ? 1.1707 1.0902 1.1536 -0.0427 -0.0637 0.0294 41 ARG A CA 327 C C . ARG A 46 ? 1.1619 1.0903 1.1533 -0.0389 -0.0597 0.0361 41 ARG A C 328 O O . ARG A 46 ? 1.1649 1.0964 1.1653 -0.0433 -0.0635 0.0468 41 ARG A O 329 C CB . ARG A 46 ? 1.1063 1.0406 1.0803 -0.0456 -0.0594 0.0299 41 ARG A CB 330 C CG . ARG A 46 ? 1.2226 1.1668 1.2015 -0.0547 -0.0634 0.0407 41 ARG A CG 331 C CD . ARG A 46 ? 1.2198 1.1779 1.1906 -0.0567 -0.0594 0.0404 41 ARG A CD 332 N NE . ARG A 46 ? 1.3515 1.3010 1.3126 -0.0577 -0.0625 0.0319 41 ARG A NE 333 C CZ . ARG A 46 ? 1.4670 1.4254 1.4197 -0.0588 -0.0602 0.0301 41 ARG A CZ 334 N NH1 . ARG A 46 ? 1.3650 1.3408 1.3185 -0.0589 -0.0545 0.0357 41 ARG A NH1 335 N NH2 . ARG A 46 ? 1.4657 1.4153 1.4090 -0.0597 -0.0639 0.0225 41 ARG A NH2 336 N N . LEU A 47 ? 0.9761 0.9087 0.9645 -0.0310 -0.0522 0.0298 42 LEU A N 337 C CA . LEU A 47 ? 0.9532 0.8943 0.9498 -0.0268 -0.0486 0.0348 42 LEU A CA 338 C C . LEU A 47 ? 1.0170 0.9450 1.0245 -0.0250 -0.0548 0.0375 42 LEU A C 339 O O . LEU A 47 ? 1.0542 0.9877 1.0702 -0.0267 -0.0571 0.0476 42 LEU A O 340 C CB . LEU A 47 ? 1.0055 0.9526 0.9978 -0.0187 -0.0396 0.0266 42 LEU A CB 341 C CG . LEU A 47 ? 0.8585 0.8167 0.8593 -0.0145 -0.0357 0.0313 42 LEU A CG 342 C CD1 . LEU A 47 ? 0.7858 0.7603 0.7878 -0.0201 -0.0352 0.0419 42 LEU A CD1 343 C CD2 . LEU A 47 ? 0.7903 0.7537 0.7881 -0.0069 -0.0269 0.0227 42 LEU A CD2 344 N N . ALA A 48 ? 1.0431 0.9536 1.0500 -0.0213 -0.0578 0.0284 43 ALA A N 345 C CA . ALA A 48 ? 1.0291 0.9245 1.0466 -0.0192 -0.0644 0.0299 43 ALA A CA 346 C C . ALA A 48 ? 1.0682 0.9608 1.0926 -0.0280 -0.0728 0.0423 43 ALA A C 347 O O . ALA A 48 ? 0.9905 0.8816 1.0250 -0.0278 -0.0764 0.0508 43 ALA A O 348 C CB . ALA A 48 ? 0.9630 0.8392 0.9771 -0.0149 -0.0668 0.0172 43 ALA A CB 349 N N . ALA A 49 ? 1.1184 1.0110 1.1374 -0.0359 -0.0760 0.0438 44 ALA A N 350 C CA . ALA A 49 ? 1.1300 1.0220 1.1554 -0.0453 -0.0831 0.0559 44 ALA A CA 351 C C . ALA A 49 ? 1.0953 1.0058 1.1246 -0.0479 -0.0801 0.0685 44 ALA A C 352 O O . ALA A 49 ? 1.1227 1.0316 1.1606 -0.0518 -0.0850 0.0795 44 ALA A O 353 C CB . ALA A 49 ? 1.1820 1.0736 1.2011 -0.0529 -0.0860 0.0544 44 ALA A CB 354 N N . ALA A 50 ? 1.1566 1.0843 1.1793 -0.0458 -0.0720 0.0668 45 ALA A N 355 C CA . ALA A 50 ? 1.1308 1.0768 1.1557 -0.0476 -0.0685 0.0771 45 ALA A CA 356 C C . ALA A 50 ? 1.1186 1.0635 1.1515 -0.0425 -0.0692 0.0815 45 ALA A C 357 O O . ALA A 50 ? 1.1176 1.0712 1.1549 -0.0459 -0.0706 0.0929 45 ALA A O 358 C CB . ALA A 50 ? 1.0683 1.0306 1.0848 -0.0452 -0.0599 0.0726 45 ALA A CB 359 N N . VAL A 51 ? 1.0783 1.0130 1.1131 -0.0342 -0.0682 0.0726 46 VAL A N 360 C CA . VAL A 51 ? 1.1131 1.0462 1.1568 -0.0285 -0.0694 0.0760 46 VAL A CA 361 C C . VAL A 51 ? 1.1359 1.0535 1.1886 -0.0315 -0.0789 0.0835 46 VAL A C 362 O O . VAL A 51 ? 1.1753 1.0963 1.2347 -0.0320 -0.0820 0.0939 46 VAL A O 363 C CB . VAL A 51 ? 1.1029 1.0311 1.1473 -0.0182 -0.0649 0.0637 46 VAL A CB 364 C CG1 . VAL A 51 ? 1.0530 0.9803 1.1083 -0.0122 -0.0668 0.0676 46 VAL A CG1 365 C CG2 . VAL A 51 ? 1.0494 0.9928 1.0854 -0.0157 -0.0554 0.0573 46 VAL A CG2 366 N N . LYS A 52 ? 1.3330 1.2335 1.3856 -0.0337 -0.0840 0.0785 47 LYS A N 367 C CA . LYS A 52 ? 1.3851 1.2695 1.4465 -0.0376 -0.0936 0.0858 47 LYS A CA 368 C C . LYS A 52 ? 1.3817 1.2763 1.4451 -0.0472 -0.0965 0.1016 47 LYS A C 369 O O . LYS A 52 ? 1.3952 1.2875 1.4662 -0.0481 -0.1011 0.1123 47 LYS A O 370 C CB . LYS A 52 ? 1.3883 1.2541 1.4482 -0.0402 -0.0988 0.0777 47 LYS A CB 371 C CG . LYS A 52 ? 1.4619 1.3099 1.5317 -0.0449 -0.1093 0.0855 47 LYS A CG 372 C CD . LYS A 52 ? 1.5858 1.4216 1.6537 -0.0524 -0.1150 0.0825 47 LYS A CD 373 C CE . LYS A 52 ? 1.6165 1.4325 1.6827 -0.0460 -0.1172 0.0668 47 LYS A CE 374 N NZ . LYS A 52 ? 1.8013 1.6030 1.8671 -0.0538 -0.1249 0.0646 47 LYS A NZ 375 N N . GLN A 53 ? 1.1482 1.0545 1.2048 -0.0540 -0.0936 0.1032 48 GLN A N 376 C CA . GLN A 53 ? 1.0999 1.0190 1.1576 -0.0629 -0.0946 0.1174 48 GLN A CA 377 C C . GLN A 53 ? 1.2342 1.1694 1.2920 -0.0599 -0.0905 0.1249 48 GLN A C 378 O O . GLN A 53 ? 1.2571 1.1977 1.3184 -0.0652 -0.0933 0.1382 48 GLN A O 379 C CB . GLN A 53 ? 1.0955 1.0263 1.1461 -0.0691 -0.0911 0.1159 48 GLN A CB 380 C CG . GLN A 53 ? 1.1915 1.1137 1.2457 -0.0787 -0.0979 0.1205 48 GLN A CG 381 C CD . GLN A 53 ? 1.1749 1.1152 1.2259 -0.0865 -0.0947 0.1265 48 GLN A CD 382 O OE1 . GLN A 53 ? 1.1055 1.0636 1.1553 -0.0876 -0.0901 0.1344 48 GLN A OE1 383 N NE2 . GLN A 53 ? 1.2702 1.2063 1.3201 -0.0918 -0.0975 0.1223 48 GLN A NE2 384 N N . ALA A 54 ? 1.2093 1.1522 1.2632 -0.0518 -0.0839 0.1165 49 ALA A N 385 C CA . ALA A 54 ? 1.1386 1.0967 1.1927 -0.0485 -0.0802 0.1220 49 ALA A CA 386 C C . ALA A 54 ? 1.2096 1.1593 1.2724 -0.0466 -0.0867 0.1305 49 ALA A C 387 O O . ALA A 54 ? 1.1541 1.1134 1.2176 -0.0500 -0.0880 0.1424 49 ALA A O 388 C CB . ALA A 54 ? 1.0427 1.0081 1.0930 -0.0401 -0.0728 0.1106 49 ALA A CB 389 N N . TRP A 55 ? 1.1974 1.1290 1.2666 -0.0409 -0.0908 0.1243 50 TRP A N 390 C CA . TRP A 55 ? 1.3107 1.2323 1.3894 -0.0389 -0.0979 0.1326 50 TRP A CA 391 C C . TRP A 55 ? 1.4529 1.3682 1.5343 -0.0488 -0.1050 0.1461 50 TRP A C 392 O O . TRP A 55 ? 1.4715 1.3916 1.5555 -0.0515 -0.1083 0.1592 50 TRP A O 393 C CB . TRP A 55 ? 1.3908 1.2932 1.4768 -0.0305 -0.1011 0.1226 50 TRP A CB 394 C CG . TRP A 55 ? 1.5293 1.4307 1.6239 -0.0226 -0.1035 0.1253 50 TRP A CG 395 C CD1 . TRP A 55 ? 1.4901 1.3941 1.5878 -0.0125 -0.0992 0.1152 50 TRP A CD1 396 C CD2 . TRP A 55 ? 1.6162 1.5145 1.7177 -0.0243 -0.1109 0.1394 50 TRP A CD2 397 N NE1 . TRP A 55 ? 1.4759 1.3786 1.5828 -0.0075 -0.1038 0.1217 50 TRP A NE1 398 C CE2 . TRP A 55 ? 1.5918 1.4907 1.7006 -0.0146 -0.1112 0.1367 50 TRP A CE2 399 C CE3 . TRP A 55 ? 1.6462 1.5416 1.7486 -0.0333 -0.1172 0.1544 50 TRP A CE3 400 C CZ2 . TRP A 55 ? 1.6532 1.5494 1.7696 -0.0133 -0.1183 0.1484 50 TRP A CZ2 401 C CZ3 . TRP A 55 ? 1.6783 1.5708 1.7874 -0.0322 -0.1238 0.1664 50 TRP A CZ3 402 C CH2 . TRP A 55 ? 1.6690 1.5617 1.7847 -0.0222 -0.1246 0.1633 50 TRP A CH2 403 N N . GLU A 56 ? 1.3221 1.2271 1.4027 -0.0545 -0.1074 0.1430 51 GLU A N 404 C CA . GLU A 56 ? 1.2591 1.1560 1.3442 -0.0643 -0.1146 0.1549 51 GLU A CA 405 C C . GLU A 56 ? 1.2417 1.1577 1.3227 -0.0729 -0.1122 0.1685 51 GLU A C 406 O O . GLU A 56 ? 1.3490 1.2610 1.4341 -0.0815 -0.1174 0.1807 51 GLU A O 407 C CB . GLU A 56 ? 1.3034 1.1868 1.3884 -0.0686 -0.1174 0.1472 51 GLU A CB 408 C CG . GLU A 56 ? 1.2904 1.1508 1.3804 -0.0616 -0.1219 0.1357 51 GLU A CG 409 C CD . GLU A 56 ? 1.3540 1.2018 1.4422 -0.0658 -0.1248 0.1269 51 GLU A CD 410 O OE1 . GLU A 56 ? 1.3902 1.2188 1.4813 -0.0603 -0.1284 0.1163 51 GLU A OE1 411 O OE2 . GLU A 56 ? 1.3148 1.1720 1.3988 -0.0743 -0.1235 0.1303 51 GLU A OE2 412 N N . ASP A 57 ? 1.2688 1.2054 1.3420 -0.0708 -0.1041 0.1665 52 ASP A N 413 C CA . ASP A 57 ? 1.2278 1.1837 1.2966 -0.0780 -0.1010 0.1782 52 ASP A CA 414 C C . ASP A 57 ? 1.1810 1.1502 1.2473 -0.0735 -0.0986 0.1840 52 ASP A C 415 O O . ASP A 57 ? 1.1352 1.1225 1.1959 -0.0776 -0.0948 0.1915 52 ASP A O 416 C CB . ASP A 57 ? 1.1735 1.1437 1.2350 -0.0808 -0.0940 0.1717 52 ASP A CB 417 C CG . ASP A 57 ? 1.4457 1.4079 1.5096 -0.0889 -0.0973 0.1715 52 ASP A CG 418 O OD1 . ASP A 57 ? 1.4678 1.4139 1.5335 -0.0864 -0.1001 0.1612 52 ASP A OD1 419 O OD2 . ASP A 57 ? 1.4446 1.4168 1.5087 -0.0977 -0.0971 0.1815 52 ASP A OD2 420 N N . GLY A 58 ? 1.0405 1.0009 1.1112 -0.0650 -0.1011 0.1801 53 GLY A N 421 C CA . GLY A 58 ? 1.0135 0.9844 1.0833 -0.0607 -0.1008 0.1862 53 GLY A CA 422 C C . GLY A 58 ? 1.1829 1.1638 1.2497 -0.0518 -0.0945 0.1747 53 GLY A C 423 O O . GLY A 58 ? 1.1657 1.1500 1.2349 -0.0460 -0.0959 0.1767 53 GLY A O 424 N N . ILE A 59 ? 1.1807 1.1667 1.2427 -0.0508 -0.0879 0.1632 54 ILE A N 425 C CA . ILE A 59 ? 1.0808 1.0767 1.1400 -0.0431 -0.0814 0.1525 54 ILE A CA 426 C C . ILE A 59 ? 1.0382 1.0206 1.1051 -0.0340 -0.0833 0.1437 54 ILE A C 427 O O . ILE A 59 ? 1.0365 1.0049 1.1056 -0.0323 -0.0838 0.1350 54 ILE A O 428 C CB . ILE A 59 ? 1.0260 1.0298 1.0778 -0.0447 -0.0740 0.1432 54 ILE A CB 429 C CG1 . ILE A 59 ? 0.9365 0.9553 0.9818 -0.0530 -0.0717 0.1515 54 ILE A CG1 430 C CG2 . ILE A 59 ? 1.0095 1.0224 1.0591 -0.0371 -0.0674 0.1327 54 ILE A CG2 431 C CD1 . ILE A 59 ? 0.9628 0.9899 1.0015 -0.0547 -0.0651 0.1434 54 ILE A CD1 432 N N . CYS A 60 ? 1.3497 1.3369 1.4209 -0.0281 -0.0844 0.1456 55 CYS A N 433 C CA . CYS A 60 ? 1.3891 1.3651 1.4697 -0.0190 -0.0866 0.1385 55 CYS A CA 434 C C . CYS A 60 ? 1.3137 1.2947 1.3931 -0.0124 -0.0786 0.1238 55 CYS A C 435 O O . CYS A 60 ? 1.3419 1.3110 1.4271 -0.0061 -0.0786 0.1145 55 CYS A O 436 C CB . CYS A 60 ? 1.3269 1.3069 1.4136 -0.0152 -0.0915 0.1468 55 CYS A CB 437 S SG . CYS A 60 ? 1.6904 1.6801 1.7827 -0.0043 -0.0869 0.1366 55 CYS A SG 438 N N . GLY A 61 ? 1.0708 1.0694 1.1427 -0.0137 -0.0718 0.1217 56 GLY A N 439 C CA . GLY A 61 ? 1.0516 1.0562 1.1225 -0.0079 -0.0641 0.1092 56 GLY A CA 440 C C . GLY A 61 ? 1.0085 1.0295 1.0697 -0.0112 -0.0568 0.1068 56 GLY A C 441 O O . GLY A 61 ? 0.9948 1.0215 1.0490 -0.0184 -0.0568 0.1129 56 GLY A O 442 N N . ILE A 62 ? 0.8554 0.8842 0.9172 -0.0057 -0.0504 0.0978 57 ILE A N 443 C CA . ILE A 62 ? 0.8019 0.8445 0.8554 -0.0079 -0.0431 0.0939 57 ILE A CA 444 C C . ILE A 62 ? 0.7949 0.8529 0.8508 -0.0047 -0.0404 0.0939 57 ILE A C 445 O O . ILE A 62 ? 0.8442 0.9018 0.9089 0.0016 -0.0410 0.0911 57 ILE A O 446 C CB . ILE A 62 ? 0.7375 0.7750 0.7876 -0.0054 -0.0369 0.0821 57 ILE A CB 447 C CG1 . ILE A 62 ? 0.7916 0.8131 0.8392 -0.0083 -0.0402 0.0807 57 ILE A CG1 448 C CG2 . ILE A 62 ? 0.6960 0.7465 0.7375 -0.0080 -0.0301 0.0790 57 ILE A CG2 449 C CD1 . ILE A 62 ? 0.8156 0.8398 0.8551 -0.0167 -0.0413 0.0862 57 ILE A CD1 450 N N . SER A 63 ? 0.8838 0.9553 0.9323 -0.0090 -0.0376 0.0969 58 SER A N 451 C CA . SER A 63 ? 0.9301 1.0161 0.9793 -0.0063 -0.0337 0.0942 58 SER A CA 452 C C . SER A 63 ? 0.9268 1.0180 0.9692 -0.0074 -0.0260 0.0865 58 SER A C 453 O O . SER A 63 ? 0.8804 0.9760 0.9147 -0.0127 -0.0246 0.0889 58 SER A O 454 C CB . SER A 63 ? 0.7817 0.8793 0.8277 -0.0098 -0.0371 0.1034 58 SER A CB 455 O OG . SER A 63 ? 0.8422 0.9526 0.8898 -0.0068 -0.0344 0.1002 58 SER A OG 456 N N . SER A 64 ? 0.7636 0.8545 0.8100 -0.0023 -0.0210 0.0777 59 SER A N 457 C CA . SER A 64 ? 0.8180 0.9113 0.8581 -0.0030 -0.0138 0.0704 59 SER A CA 458 C C . SER A 64 ? 0.7900 0.8979 0.8254 -0.0056 -0.0106 0.0713 59 SER A C 459 O O . SER A 64 ? 0.8471 0.9645 0.8867 -0.0041 -0.0116 0.0732 59 SER A O 460 C CB . SER A 64 ? 0.7728 0.8628 0.8186 0.0031 -0.0089 0.0614 59 SER A CB 461 O OG . SER A 64 ? 0.7971 0.8727 0.8456 0.0057 -0.0110 0.0587 59 SER A OG 462 N N . VAL A 65 ? 0.7350 0.8444 0.7617 -0.0092 -0.0070 0.0696 60 VAL A N 463 C CA . VAL A 65 ? 0.7733 0.8954 0.7957 -0.0112 -0.0036 0.0693 60 VAL A CA 464 C C . VAL A 65 ? 0.7624 0.8896 0.7890 -0.0072 0.0017 0.0625 60 VAL A C 465 O O . VAL A 65 ? 0.8757 1.0132 0.9048 -0.0066 0.0020 0.0631 60 VAL A O 466 C CB . VAL A 65 ? 0.7020 0.8241 0.7153 -0.0155 -0.0011 0.0688 60 VAL A CB 467 C CG1 . VAL A 65 ? 0.7283 0.8577 0.7376 -0.0203 -0.0041 0.0762 60 VAL A CG1 468 C CG2 . VAL A 65 ? 0.7196 0.8284 0.7304 -0.0160 -0.0016 0.0663 60 VAL A CG2 469 N N . SER A 66 ? 0.7995 0.9195 0.8264 -0.0046 0.0060 0.0561 61 SER A N 470 C CA . SER A 66 ? 0.7508 0.8756 0.7818 -0.0013 0.0119 0.0499 61 SER A CA 471 C C . SER A 66 ? 0.8026 0.9207 0.8415 0.0040 0.0134 0.0454 61 SER A C 472 O O . SER A 66 ? 0.7789 0.8872 0.8191 0.0052 0.0098 0.0463 61 SER A O 473 C CB . SER A 66 ? 0.8195 0.9442 0.8419 -0.0033 0.0175 0.0460 61 SER A CB 474 O OG . SER A 66 ? 0.9233 1.0368 0.9399 -0.0035 0.0182 0.0437 61 SER A OG 475 N N . ARG A 67 ? 0.7012 0.8248 0.7459 0.0070 0.0187 0.0405 62 ARG A N 476 C CA . ARG A 67 ? 0.7037 0.8224 0.7558 0.0123 0.0219 0.0352 62 ARG A CA 477 C C . ARG A 67 ? 0.7220 0.8294 0.7653 0.0125 0.0252 0.0309 62 ARG A C 478 O O . ARG A 67 ? 0.8714 0.9706 0.9183 0.0165 0.0256 0.0272 62 ARG A O 479 C CB . ARG A 67 ? 0.7024 0.8306 0.7624 0.0147 0.0280 0.0311 62 ARG A CB 480 C CG . ARG A 67 ? 0.7052 0.8441 0.7763 0.0156 0.0242 0.0340 62 ARG A CG 481 C CD . ARG A 67 ? 0.6244 0.7715 0.7063 0.0184 0.0299 0.0294 62 ARG A CD 482 N NE . ARG A 67 ? 0.7619 0.9198 0.8537 0.0185 0.0258 0.0319 62 ARG A NE 483 C CZ . ARG A 67 ? 0.7915 0.9516 0.8950 0.0222 0.0207 0.0335 62 ARG A CZ 484 N NH1 . ARG A 67 ? 0.7011 0.8527 0.8086 0.0262 0.0193 0.0328 62 ARG A NH1 485 N NH2 . ARG A 67 ? 0.7504 0.9208 0.8617 0.0219 0.0165 0.0357 62 ARG A NH2 486 N N . MET A 68 ? 0.7713 0.8782 0.8032 0.0083 0.0271 0.0311 63 MET A N 487 C CA . MET A 68 ? 0.7993 0.8961 0.8213 0.0079 0.0295 0.0271 63 MET A CA 488 C C . MET A 68 ? 0.8376 0.9226 0.8577 0.0075 0.0232 0.0287 63 MET A C 489 O O . MET A 68 ? 0.8626 0.9375 0.8805 0.0102 0.0245 0.0236 63 MET A O 490 C CB . MET A 68 ? 0.7546 0.8538 0.7654 0.0033 0.0316 0.0279 63 MET A CB 491 C CG . MET A 68 ? 0.8661 0.9554 0.8659 0.0030 0.0340 0.0236 63 MET A CG 492 S SD . MET A 68 ? 0.9940 1.0868 0.9818 -0.0015 0.0366 0.0244 63 MET A SD 493 C CE . MET A 68 ? 0.9797 1.0685 0.9614 0.0017 0.0451 0.0172 63 MET A CE 494 N N . GLU A 69 ? 0.8496 0.9359 0.8705 0.0040 0.0166 0.0356 64 GLU A N 495 C CA . GLU A 69 ? 0.8918 0.9669 0.9121 0.0029 0.0101 0.0382 64 GLU A CA 496 C C . GLU A 69 ? 0.9318 0.9999 0.9620 0.0085 0.0083 0.0358 64 GLU A C 497 O O . GLU A 69 ? 0.9896 1.0451 1.0185 0.0100 0.0065 0.0325 64 GLU A O 498 C CB . GLU A 69 ? 0.8965 0.9756 0.9165 -0.0021 0.0038 0.0471 64 GLU A CB 499 C CG . GLU A 69 ? 0.9088 0.9760 0.9302 -0.0035 -0.0032 0.0508 64 GLU A CG 500 C CD . GLU A 69 ? 0.9239 0.9947 0.9435 -0.0094 -0.0087 0.0600 64 GLU A CD 501 O OE1 . GLU A 69 ? 0.9330 1.0157 0.9542 -0.0106 -0.0088 0.0648 64 GLU A OE1 502 O OE2 . GLU A 69 ? 0.9285 0.9904 0.9452 -0.0131 -0.0129 0.0625 64 GLU A OE2 503 N N . ASN A 70 ? 0.7873 0.8637 0.8278 0.0117 0.0085 0.0372 65 ASN A N 504 C CA . ASN A 70 ? 0.7578 0.8294 0.8098 0.0177 0.0068 0.0351 65 ASN A CA 505 C C . ASN A 70 ? 0.8334 0.8987 0.8854 0.0228 0.0132 0.0255 65 ASN A C 506 O O . ASN A 70 ? 0.9350 0.9889 0.9903 0.0265 0.0110 0.0223 65 ASN A O 507 C CB . ASN A 70 ? 0.7335 0.8174 0.7967 0.0202 0.0064 0.0377 65 ASN A CB 508 C CG . ASN A 70 ? 0.8338 0.9141 0.9106 0.0270 0.0045 0.0355 65 ASN A CG 509 O OD1 . ASN A 70 ? 0.8518 0.9341 0.9348 0.0320 0.0105 0.0286 65 ASN A OD1 510 N ND2 . ASN A 70 ? 0.8700 0.9451 0.9520 0.0272 -0.0037 0.0417 65 ASN A ND2 511 N N . ILE A 71 ? 0.7663 0.8389 0.8143 0.0229 0.0211 0.0211 66 ILE A N 512 C CA . ILE A 71 ? 0.8177 0.8860 0.8636 0.0271 0.0284 0.0123 66 ILE A CA 513 C C . ILE A 71 ? 0.9037 0.9576 0.9379 0.0260 0.0270 0.0088 66 ILE A C 514 O O . ILE A 71 ? 0.8719 0.9167 0.9072 0.0308 0.0286 0.0021 66 ILE A O 515 C CB . ILE A 71 ? 0.7351 0.8140 0.7771 0.0260 0.0368 0.0099 66 ILE A CB 516 C CG1 . ILE A 71 ? 0.9336 1.0249 0.9901 0.0292 0.0397 0.0101 66 ILE A CG1 517 C CG2 . ILE A 71 ? 0.7726 0.8455 0.8055 0.0280 0.0441 0.0022 66 ILE A CG2 518 C CD1 . ILE A 71 ? 0.9925 1.0951 1.0471 0.0268 0.0464 0.0097 66 ILE A CD1 519 N N . MET A 72 ? 0.8512 0.9034 0.8750 0.0197 0.0235 0.0130 67 MET A N 520 C CA . MET A 72 ? 0.8190 0.8580 0.8321 0.0175 0.0205 0.0106 67 MET A CA 521 C C . MET A 72 ? 0.9075 0.9338 0.9268 0.0198 0.0138 0.0104 67 MET A C 522 O O . MET A 72 ? 0.9681 0.9826 0.9841 0.0231 0.0144 0.0033 67 MET A O 523 C CB . MET A 72 ? 0.8218 0.8635 0.8264 0.0101 0.0169 0.0168 67 MET A CB 524 C CG . MET A 72 ? 0.8890 0.9178 0.8851 0.0068 0.0117 0.0159 67 MET A CG 525 S SD . MET A 72 ? 1.0844 1.1185 1.0740 -0.0018 0.0070 0.0242 67 MET A SD 526 C CE . MET A 72 ? 0.8823 0.9220 0.8838 -0.0033 0.0010 0.0339 67 MET A CE 527 N N . TRP A 73 ? 0.8519 0.8801 0.8796 0.0181 0.0071 0.0183 68 TRP A N 528 C CA . TRP A 73 ? 0.8778 0.8942 0.9131 0.0201 -0.0001 0.0199 68 TRP A CA 529 C C . TRP A 73 ? 0.8947 0.9059 0.9383 0.0286 0.0031 0.0118 68 TRP A C 530 O O . TRP A 73 ? 0.9381 0.9348 0.9822 0.0313 -0.0001 0.0074 68 TRP A O 531 C CB . TRP A 73 ? 0.8688 0.8912 0.9128 0.0180 -0.0064 0.0301 68 TRP A CB 532 C CG . TRP A 73 ? 0.8304 0.8535 0.8680 0.0100 -0.0117 0.0385 68 TRP A CG 533 C CD1 . TRP A 73 ? 0.8369 0.8732 0.8709 0.0053 -0.0108 0.0446 68 TRP A CD1 534 C CD2 . TRP A 73 ? 0.7951 0.8056 0.8299 0.0058 -0.0186 0.0418 68 TRP A CD2 535 N NE1 . TRP A 73 ? 0.8176 0.8513 0.8469 -0.0014 -0.0161 0.0514 68 TRP A NE1 536 C CE2 . TRP A 73 ? 0.8099 0.8279 0.8399 -0.0015 -0.0211 0.0502 68 TRP A CE2 537 C CE3 . TRP A 73 ? 0.7491 0.7425 0.7855 0.0075 -0.0230 0.0381 68 TRP A CE3 538 C CZ2 . TRP A 73 ? 0.8707 0.8807 0.8982 -0.0076 -0.0275 0.0556 68 TRP A CZ2 539 C CZ3 . TRP A 73 ? 0.7993 0.7836 0.8329 0.0013 -0.0300 0.0434 68 TRP A CZ3 540 C CH2 . TRP A 73 ? 0.9182 0.9113 0.9478 -0.0063 -0.0321 0.0524 68 TRP A CH2 541 N N . ARG A 74 ? 0.9856 1.0087 1.0361 0.0327 0.0094 0.0097 69 ARG A N 542 C CA . ARG A 74 ? 1.0674 1.0885 1.1275 0.0411 0.0135 0.0021 69 ARG A CA 543 C C . ARG A 74 ? 1.0810 1.0930 1.1313 0.0438 0.0193 -0.0083 69 ARG A C 544 O O . ARG A 74 ? 1.1519 1.1540 1.2070 0.0499 0.0193 -0.0150 69 ARG A O 545 C CB . ARG A 74 ? 0.9871 1.0247 1.0566 0.0439 0.0196 0.0022 69 ARG A CB 546 C CG . ARG A 74 ? 1.0567 1.0950 1.1362 0.0524 0.0259 -0.0063 69 ARG A CG 547 C CD . ARG A 74 ? 1.2620 1.3163 1.3561 0.0551 0.0288 -0.0042 69 ARG A CD 548 N NE . ARG A 74 ? 1.3994 1.4537 1.5074 0.0574 0.0202 0.0018 69 ARG A NE 549 C CZ . ARG A 74 ? 1.2600 1.3242 1.3726 0.0539 0.0155 0.0101 69 ARG A CZ 550 N NH1 . ARG A 74 ? 1.0774 1.1522 1.1826 0.0483 0.0186 0.0129 69 ARG A NH1 551 N NH2 . ARG A 74 ? 1.1044 1.1676 1.2287 0.0563 0.0074 0.0155 69 ARG A NH2 552 N N . SER A 75 ? 0.9181 0.9332 0.9543 0.0394 0.0239 -0.0097 70 SER A N 553 C CA . SER A 75 ? 0.9058 0.9135 0.9303 0.0415 0.0295 -0.0192 70 SER A CA 554 C C . SER A 75 ? 0.9420 0.9328 0.9571 0.0389 0.0227 -0.0212 70 SER A C 555 O O . SER A 75 ? 1.0573 1.0395 1.0621 0.0410 0.0257 -0.0297 70 SER A O 556 C CB . SER A 75 ? 0.9020 0.9196 0.9150 0.0379 0.0369 -0.0195 70 SER A CB 557 O OG . SER A 75 ? 1.0020 1.0223 1.0083 0.0303 0.0321 -0.0118 70 SER A OG 558 N N . VAL A 76 ? 1.0064 0.9928 1.0249 0.0343 0.0133 -0.0132 71 VAL A N 559 C CA . VAL A 76 ? 1.0254 0.9963 1.0370 0.0307 0.0057 -0.0138 71 VAL A CA 560 C C . VAL A 76 ? 1.0942 1.0519 1.1172 0.0349 -0.0011 -0.0146 71 VAL A C 561 O O . VAL A 76 ? 1.1500 1.0916 1.1688 0.0348 -0.0060 -0.0192 71 VAL A O 562 C CB . VAL A 76 ? 1.0385 1.0135 1.0453 0.0216 0.0001 -0.0038 71 VAL A CB 563 C CG1 . VAL A 76 ? 1.0726 1.0328 1.0787 0.0175 -0.0096 -0.0013 71 VAL A CG1 564 C CG2 . VAL A 76 ? 0.9442 0.9266 0.9373 0.0177 0.0054 -0.0052 71 VAL A CG2 565 N N . GLU A 77 ? 1.0546 1.0190 1.0922 0.0387 -0.0016 -0.0104 72 GLU A N 566 C CA . GLU A 77 ? 1.0522 1.0063 1.1032 0.0428 -0.0086 -0.0089 72 GLU A CA 567 C C . GLU A 77 ? 1.1713 1.1065 1.2211 0.0474 -0.0109 -0.0186 72 GLU A C 568 O O . GLU A 77 ? 1.1762 1.0972 1.2275 0.0447 -0.0199 -0.0157 72 GLU A O 569 C CB . GLU A 77 ? 1.1769 1.1420 1.2426 0.0496 -0.0049 -0.0086 72 GLU A CB 570 C CG . GLU A 77 ? 1.1857 1.1525 1.2643 0.0489 -0.0130 0.0021 72 GLU A CG 571 C CD . GLU A 77 ? 1.1807 1.1585 1.2744 0.0559 -0.0100 0.0017 72 GLU A CD 572 O OE1 . GLU A 77 ? 1.2845 1.2611 1.3902 0.0575 -0.0171 0.0086 72 GLU A OE1 573 O OE2 . GLU A 77 ? 1.1334 1.1211 1.2272 0.0598 -0.0006 -0.0052 72 GLU A OE2 574 N N . GLY A 78 ? 1.0060 0.9410 1.0531 0.0543 -0.0027 -0.0300 73 GLY A N 575 C CA . GLY A 78 ? 0.9770 0.8950 1.0231 0.0600 -0.0038 -0.0409 73 GLY A CA 576 C C . GLY A 78 ? 1.0668 0.9693 1.0999 0.0542 -0.0101 -0.0429 73 GLY A C 577 O O . GLY A 78 ? 1.1607 1.0466 1.1986 0.0547 -0.0186 -0.0436 73 GLY A O 578 N N . GLU A 79 ? 1.0569 0.9647 1.0743 0.0486 -0.0066 -0.0436 74 GLU A N 579 C CA . GLU A 79 ? 1.0930 0.9879 1.0976 0.0426 -0.0126 -0.0456 74 GLU A CA 580 C C . GLU A 79 ? 1.1181 1.0074 1.1287 0.0350 -0.0237 -0.0343 74 GLU A C 581 O O . GLU A 79 ? 1.2151 1.0879 1.2237 0.0323 -0.0317 -0.0362 74 GLU A O 582 C CB . GLU A 79 ? 1.0116 0.9157 0.9994 0.0379 -0.0068 -0.0468 74 GLU A CB 583 C CG . GLU A 79 ? 1.1594 1.0659 1.1377 0.0444 0.0036 -0.0585 74 GLU A CG 584 C CD . GLU A 79 ? 1.2161 1.1333 1.1789 0.0398 0.0093 -0.0577 74 GLU A CD 585 O OE1 . GLU A 79 ? 1.2297 1.1626 1.1945 0.0410 0.0175 -0.0550 74 GLU A OE1 586 O OE2 . GLU A 79 ? 1.1426 1.0521 1.0918 0.0349 0.0053 -0.0598 74 GLU A OE2 587 N N . LEU A 80 ? 1.1068 1.0098 1.1246 0.0313 -0.0241 -0.0226 75 LEU A N 588 C CA . LEU A 80 ? 1.0843 0.9843 1.1077 0.0239 -0.0337 -0.0108 75 LEU A CA 589 C C . LEU A 80 ? 1.1801 1.0640 1.2160 0.0271 -0.0418 -0.0101 75 LEU A C 590 O O . LEU A 80 ? 1.1901 1.0602 1.2259 0.0220 -0.0505 -0.0074 75 LEU A O 591 C CB . LEU A 80 ? 1.0749 0.9933 1.1033 0.0206 -0.0319 0.0007 75 LEU A CB 592 C CG . LEU A 80 ? 1.0470 0.9721 1.0686 0.0106 -0.0351 0.0100 75 LEU A CG 593 C CD1 . LEU A 80 ? 1.0081 0.9507 1.0352 0.0084 -0.0334 0.0205 75 LEU A CD1 594 C CD2 . LEU A 80 ? 1.0843 0.9949 1.1080 0.0047 -0.0453 0.0147 75 LEU A CD2 595 N N . ASN A 81 ? 1.1293 1.0147 1.1766 0.0356 -0.0392 -0.0124 76 ASN A N 596 C CA . ASN A 81 ? 1.0623 0.9326 1.1228 0.0399 -0.0467 -0.0121 76 ASN A CA 597 C C . ASN A 81 ? 1.1686 1.0179 1.2247 0.0427 -0.0499 -0.0237 76 ASN A C 598 O O . ASN A 81 ? 1.2866 1.1193 1.3492 0.0413 -0.0594 -0.0213 76 ASN A O 599 C CB . ASN A 81 ? 1.1316 1.0092 1.2056 0.0494 -0.0426 -0.0136 76 ASN A CB 600 C CG . ASN A 81 ? 1.0914 0.9859 1.1725 0.0466 -0.0429 -0.0008 76 ASN A CG 601 O OD1 . ASN A 81 ? 1.0560 0.9518 1.1361 0.0386 -0.0491 0.0107 76 ASN A OD1 602 N ND2 . ASN A 81 ? 1.0014 0.9094 1.0899 0.0532 -0.0362 -0.0030 76 ASN A ND2 603 N N . ALA A 82 ? 0.9836 0.8337 1.0285 0.0466 -0.0421 -0.0362 77 ALA A N 604 C CA . ALA A 82 ? 0.9474 0.7786 0.9855 0.0494 -0.0444 -0.0488 77 ALA A CA 605 C C . ALA A 82 ? 1.0616 0.8810 1.0921 0.0396 -0.0536 -0.0451 77 ALA A C 606 O O . ALA A 82 ? 1.1937 0.9933 1.2275 0.0396 -0.0620 -0.0486 77 ALA A O 607 C CB . ALA A 82 ? 0.8368 0.6737 0.8616 0.0544 -0.0336 -0.0616 77 ALA A CB 608 N N . ILE A 83 ? 1.0795 0.9112 1.1007 0.0311 -0.0523 -0.0380 78 ILE A N 609 C CA . ILE A 83 ? 1.1205 0.9444 1.1355 0.0211 -0.0606 -0.0337 78 ILE A CA 610 C C . ILE A 83 ? 1.2118 1.0280 1.2402 0.0158 -0.0709 -0.0215 78 ILE A C 611 O O . ILE A 83 ? 1.3012 1.1011 1.3300 0.0110 -0.0799 -0.0217 78 ILE A O 612 C CB . ILE A 83 ? 1.0202 0.8613 1.0240 0.0139 -0.0563 -0.0282 78 ILE A CB 613 C CG1 . ILE A 83 ? 1.0841 0.9273 1.0719 0.0173 -0.0486 -0.0407 78 ILE A CG1 614 C CG2 . ILE A 83 ? 1.0201 0.8570 1.0224 0.0029 -0.0652 -0.0199 78 ILE A CG2 615 C CD1 . ILE A 83 ? 1.0194 0.8804 0.9972 0.0124 -0.0428 -0.0361 78 ILE A CD1 616 N N . LEU A 84 ? 1.1819 1.0096 1.2211 0.0166 -0.0699 -0.0109 79 LEU A N 617 C CA . LEU A 84 ? 1.1482 0.9690 1.2002 0.0126 -0.0792 0.0013 79 LEU A CA 618 C C . LEU A 84 ? 1.2627 1.0605 1.3238 0.0181 -0.0862 -0.0049 79 LEU A C 619 O O . LEU A 84 ? 1.2804 1.0640 1.3475 0.0126 -0.0961 0.0012 79 LEU A O 620 C CB . LEU A 84 ? 1.1026 0.9396 1.1636 0.0144 -0.0764 0.0119 79 LEU A CB 621 C CG . LEU A 84 ? 0.9863 0.8395 1.0453 0.0051 -0.0768 0.0260 79 LEU A CG 622 C CD1 . LEU A 84 ? 1.0236 0.8775 1.0708 -0.0038 -0.0776 0.0258 79 LEU A CD1 623 C CD2 . LEU A 84 ? 0.9386 0.8132 0.9968 0.0086 -0.0679 0.0278 79 LEU A CD2 624 N N . GLU A 85 ? 1.3531 1.1476 1.4157 0.0289 -0.0808 -0.0172 80 GLU A N 625 C CA . GLU A 85 ? 1.3922 1.1651 1.4632 0.0359 -0.0862 -0.0255 80 GLU A CA 626 C C . GLU A 85 ? 1.5303 1.2841 1.5927 0.0319 -0.0923 -0.0339 80 GLU A C 627 O O . GLU A 85 ? 1.6136 1.3476 1.6840 0.0306 -0.1023 -0.0330 80 GLU A O 628 C CB . GLU A 85 ? 1.4337 1.2100 1.5070 0.0487 -0.0773 -0.0381 80 GLU A CB 629 C CG . GLU A 85 ? 1.4648 1.2195 1.5468 0.0574 -0.0819 -0.0486 80 GLU A CG 630 C CD . GLU A 85 ? 1.6340 1.3933 1.7161 0.0698 -0.0716 -0.0628 80 GLU A CD 631 O OE1 . GLU A 85 ? 1.6327 1.3980 1.6998 0.0707 -0.0634 -0.0729 80 GLU A OE1 632 O OE2 . GLU A 85 ? 1.5897 1.3473 1.6872 0.0786 -0.0718 -0.0635 80 GLU A OE2 633 N N . GLU A 86 ? 1.5130 1.2724 1.5590 0.0297 -0.0868 -0.0420 81 GLU A N 634 C CA . GLU A 86 ? 1.5310 1.2736 1.5669 0.0260 -0.0923 -0.0512 81 GLU A CA 635 C C . GLU A 86 ? 1.5400 1.2722 1.5808 0.0148 -0.1043 -0.0405 81 GLU A C 636 O O . GLU A 86 ? 1.6679 1.3790 1.7101 0.0134 -0.1129 -0.0464 81 GLU A O 637 C CB . GLU A 86 ? 1.4886 1.2427 1.5057 0.0239 -0.0849 -0.0581 81 GLU A CB 638 C CG . GLU A 86 ? 1.4200 1.1790 1.4289 0.0345 -0.0738 -0.0720 81 GLU A CG 639 C CD . GLU A 86 ? 1.4251 1.1903 1.4139 0.0318 -0.0686 -0.0794 81 GLU A CD 640 O OE1 . GLU A 86 ? 1.2830 1.0456 1.2648 0.0223 -0.0750 -0.0755 81 GLU A OE1 641 O OE2 . GLU A 86 ? 1.4670 1.2399 1.4473 0.0391 -0.0583 -0.0887 81 GLU A OE2 642 N N . ASN A 87 ? 1.5810 1.3284 1.6248 0.0066 -0.1047 -0.0250 82 ASN A N 643 C CA . ASN A 87 ? 1.6766 1.4179 1.7239 -0.0052 -0.1146 -0.0142 82 ASN A CA 644 C C . ASN A 87 ? 1.7305 1.4657 1.7946 -0.0073 -0.1219 -0.0007 82 ASN A C 645 O O . ASN A 87 ? 1.7211 1.4614 1.7891 -0.0173 -0.1266 0.0135 82 ASN A O 646 C CB . ASN A 87 ? 1.5919 1.3537 1.6306 -0.0140 -0.1107 -0.0060 82 ASN A CB 647 C CG . ASN A 87 ? 1.6336 1.4033 1.6556 -0.0115 -0.1030 -0.0179 82 ASN A CG 648 O OD1 . ASN A 87 ? 1.6516 1.4224 1.6687 -0.0019 -0.0956 -0.0288 82 ASN A OD1 649 N ND2 . ASN A 87 ? 1.6373 1.4126 1.6507 -0.0203 -0.1048 -0.0154 82 ASN A ND2 650 N N . GLY A 88 ? 1.4272 1.1516 1.5010 0.0023 -0.1228 -0.0050 83 GLY A N 651 C CA . GLY A 88 ? 1.4283 1.1431 1.5181 0.0016 -0.1308 0.0065 83 GLY A CA 652 C C . GLY A 88 ? 1.4272 1.1610 1.5219 -0.0033 -0.1293 0.0242 83 GLY A C 653 O O . GLY A 88 ? 1.4817 1.2123 1.5827 -0.0122 -0.1367 0.0381 83 GLY A O 654 N N . VAL A 89 ? 1.3719 1.1257 1.4635 0.0023 -0.1195 0.0236 84 VAL A N 655 C CA . VAL A 89 ? 1.3864 1.1587 1.4821 -0.0011 -0.1177 0.0390 84 VAL A CA 656 C C . VAL A 89 ? 1.2889 1.0677 1.3928 0.0097 -0.1135 0.0380 84 VAL A C 657 O O . VAL A 89 ? 1.1191 0.9117 1.2179 0.0159 -0.1040 0.0301 84 VAL A O 658 C CB . VAL A 89 ? 1.2376 1.0323 1.3210 -0.0071 -0.1100 0.0419 84 VAL A CB 659 C CG1 . VAL A 89 ? 1.1427 0.9555 1.2300 -0.0108 -0.1089 0.0575 84 VAL A CG1 660 C CG2 . VAL A 89 ? 1.2602 1.0500 1.3360 -0.0173 -0.1139 0.0421 84 VAL A CG2 661 N N . GLN A 90 ? 1.8105 1.5795 1.9279 0.0117 -0.1210 0.0463 85 GLN A N 662 C CA . GLN A 90 ? 1.8121 1.5877 1.9392 0.0215 -0.1185 0.0471 85 GLN A CA 663 C C . GLN A 90 ? 1.6621 1.4635 1.7854 0.0189 -0.1123 0.0565 85 GLN A C 664 O O . GLN A 90 ? 1.6927 1.4998 1.8206 0.0141 -0.1168 0.0714 85 GLN A O 665 C CB . GLN A 90 ? 1.8385 1.5976 1.9808 0.0234 -0.1292 0.0558 85 GLN A CB 666 C CG . GLN A 90 ? 1.8764 1.6104 2.0258 0.0305 -0.1342 0.0437 85 GLN A CG 667 C CD . GLN A 90 ? 2.0821 1.8019 2.2484 0.0352 -0.1436 0.0513 85 GLN A CD 668 O OE1 . GLN A 90 ? 2.0675 1.7974 2.2397 0.0340 -0.1458 0.0653 85 GLN A OE1 669 N NE2 . GLN A 90 ? 2.0738 1.7697 2.2475 0.0408 -0.1494 0.0420 85 GLN A NE2 670 N N . LEU A 91 ? 1.2975 1.1142 1.4121 0.0221 -0.1019 0.0474 86 LEU A N 671 C CA . LEU A 91 ? 1.1881 1.0290 1.2983 0.0199 -0.0954 0.0541 86 LEU A CA 672 C C . LEU A 91 ? 1.0694 0.9226 1.1753 0.0275 -0.0844 0.0416 86 LEU A C 673 O O . LEU A 91 ? 1.0411 0.8907 1.1379 0.0284 -0.0796 0.0300 86 LEU A O 674 C CB . LEU A 91 ? 1.0550 0.9044 1.1543 0.0080 -0.0954 0.0621 86 LEU A CB 675 C CG . LEU A 91 ? 1.0140 0.8877 1.1077 0.0049 -0.0890 0.0690 86 LEU A CG 676 C CD1 . LEU A 91 ? 1.1124 0.9939 1.2157 0.0082 -0.0914 0.0787 86 LEU A CD1 677 C CD2 . LEU A 91 ? 1.0345 0.9142 1.1199 -0.0067 -0.0905 0.0779 86 LEU A CD2 678 N N . THR A 92 ? 1.0127 0.8803 1.1251 0.0327 -0.0807 0.0444 87 THR A N 679 C CA . THR A 92 ? 0.9953 0.8756 1.1059 0.0398 -0.0703 0.0338 87 THR A CA 680 C C . THR A 92 ? 0.9690 0.8724 1.0749 0.0361 -0.0647 0.0403 87 THR A C 681 O O . THR A 92 ? 1.0091 0.9208 1.1212 0.0349 -0.0683 0.0511 87 THR A O 682 C CB . THR A 92 ? 0.9586 0.8355 1.0841 0.0513 -0.0702 0.0283 87 THR A CB 683 O OG1 . THR A 92 ? 1.0946 0.9492 1.2245 0.0556 -0.0752 0.0208 87 THR A OG1 684 C CG2 . THR A 92 ? 0.9227 0.8140 1.0471 0.0581 -0.0588 0.0178 87 THR A CG2 685 N N . VAL A 93 ? 1.1016 1.0148 1.1960 0.0345 -0.0561 0.0335 88 VAL A N 686 C CA . VAL A 93 ? 1.0474 0.9816 1.1371 0.0315 -0.0502 0.0379 88 VAL A CA 687 C C . VAL A 93 ? 1.0239 0.9697 1.1226 0.0400 -0.0441 0.0331 88 VAL A C 688 O O . VAL A 93 ? 1.0221 0.9661 1.1212 0.0465 -0.0377 0.0215 88 VAL A O 689 C CB . VAL A 93 ? 0.9125 0.8525 0.9871 0.0264 -0.0438 0.0332 88 VAL A CB 690 C CG1 . VAL A 93 ? 0.8728 0.8338 0.9440 0.0245 -0.0374 0.0365 88 VAL A CG1 691 C CG2 . VAL A 93 ? 0.9489 0.8802 1.0160 0.0173 -0.0500 0.0388 88 VAL A CG2 692 N N . VAL A 94 ? 1.1313 1.0892 1.2369 0.0398 -0.0462 0.0420 89 VAL A N 693 C CA . VAL A 94 ? 1.1238 1.0939 1.2396 0.0472 -0.0416 0.0386 89 VAL A CA 694 C C . VAL A 94 ? 1.0899 1.0800 1.2000 0.0434 -0.0357 0.0413 89 VAL A C 695 O O . VAL A 94 ? 1.1459 1.1434 1.2529 0.0375 -0.0396 0.0514 89 VAL A O 696 C CB . VAL A 94 ? 1.0615 1.0295 1.1924 0.0514 -0.0496 0.0459 89 VAL A CB 697 C CG1 . VAL A 94 ? 0.9797 0.9590 1.1233 0.0600 -0.0449 0.0405 89 VAL A CG1 698 C CG2 . VAL A 94 ? 1.0897 1.0362 1.2261 0.0539 -0.0571 0.0452 89 VAL A CG2 699 N N . VAL A 95 ? 0.9848 0.9834 1.0935 0.0469 -0.0262 0.0322 90 VAL A N 700 C CA . VAL A 95 ? 1.0015 1.0180 1.1052 0.0435 -0.0203 0.0337 90 VAL A CA 701 C C . VAL A 95 ? 0.9539 0.9837 1.0710 0.0490 -0.0181 0.0333 90 VAL A C 702 O O . VAL A 95 ? 0.9827 1.0129 1.1086 0.0563 -0.0133 0.0252 90 VAL A O 703 C CB . VAL A 95 ? 1.0168 1.0348 1.1086 0.0422 -0.0111 0.0250 90 VAL A CB 704 C CG1 . VAL A 95 ? 0.9395 0.9753 1.0284 0.0397 -0.0048 0.0260 90 VAL A CG1 705 C CG2 . VAL A 95 ? 1.0258 1.0330 1.1040 0.0357 -0.0138 0.0262 90 VAL A CG2 706 N N . GLY A 96 ? 0.7416 0.7829 0.8603 0.0456 -0.0218 0.0420 91 GLY A N 707 C CA . GLY A 96 ? 0.7280 0.7828 0.8593 0.0500 -0.0210 0.0424 91 GLY A CA 708 C C . GLY A 96 ? 0.7460 0.8170 0.8725 0.0466 -0.0144 0.0412 91 GLY A C 709 O O . GLY A 96 ? 0.7300 0.8016 0.8433 0.0415 -0.0098 0.0397 91 GLY A O 710 N N . SER A 97 ? 0.7853 0.8693 0.9232 0.0496 -0.0144 0.0420 92 SER A N 711 C CA . SER A 97 ? 0.7450 0.8442 0.8807 0.0468 -0.0085 0.0404 92 SER A CA 712 C C . SER A 97 ? 0.7498 0.8540 0.8727 0.0390 -0.0114 0.0475 92 SER A C 713 O O . SER A 97 ? 0.6971 0.7967 0.8161 0.0361 -0.0191 0.0553 92 SER A O 714 C CB . SER A 97 ? 0.7706 0.8822 0.9230 0.0515 -0.0095 0.0401 92 SER A CB 715 O OG . SER A 97 ? 0.9169 1.0269 1.0819 0.0589 -0.0047 0.0325 92 SER A OG 716 N N . VAL A 98 ? 0.8809 0.9945 0.9976 0.0357 -0.0050 0.0447 93 VAL A N 717 C CA . VAL A 98 ? 0.8474 0.9675 0.9533 0.0290 -0.0069 0.0502 93 VAL A CA 718 C C . VAL A 98 ? 0.8575 0.9886 0.9704 0.0292 -0.0129 0.0556 93 VAL A C 719 O O . VAL A 98 ? 0.9624 1.1022 1.0871 0.0328 -0.0117 0.0525 93 VAL A O 720 C CB . VAL A 98 ? 0.8193 0.9458 0.9176 0.0260 0.0014 0.0453 93 VAL A CB 721 C CG1 . VAL A 98 ? 0.7861 0.9195 0.8742 0.0198 -0.0007 0.0505 93 VAL A CG1 722 C CG2 . VAL A 98 ? 0.8626 0.9785 0.9525 0.0258 0.0070 0.0401 93 VAL A CG2 723 N N . LYS A 99 ? 0.8048 0.9358 0.9104 0.0251 -0.0196 0.0637 94 LYS A N 724 C CA . LYS A 99 ? 0.8071 0.9485 0.9163 0.0247 -0.0258 0.0692 94 LYS A CA 725 C C . LYS A 99 ? 0.7798 0.9306 0.8773 0.0190 -0.0243 0.0709 94 LYS A C 726 O O . LYS A 99 ? 0.7803 0.9274 0.8656 0.0143 -0.0232 0.0733 94 LYS A O 727 C CB . LYS A 99 ? 0.8128 0.9476 0.9232 0.0252 -0.0352 0.0779 94 LYS A CB 728 C CG . LYS A 99 ? 0.8798 1.0058 1.0039 0.0318 -0.0379 0.0764 94 LYS A CG 729 C CD . LYS A 99 ? 0.9152 1.0513 1.0546 0.0372 -0.0389 0.0733 94 LYS A CD 730 C CE . LYS A 99 ? 0.8570 0.9853 1.0116 0.0446 -0.0404 0.0705 94 LYS A CE 731 N NZ . LYS A 99 ? 1.0287 1.1578 1.1899 0.0484 -0.0308 0.0599 94 LYS A NZ 732 N N . ASN A 100 ? 0.6911 0.8543 0.7934 0.0194 -0.0244 0.0692 95 ASN A N 733 C CA . ASN A 100 ? 0.6644 0.8368 0.7568 0.0147 -0.0232 0.0696 95 ASN A CA 734 C C . ASN A 100 ? 0.7203 0.8997 0.8095 0.0132 -0.0313 0.0767 95 ASN A C 735 O O . ASN A 100 ? 0.7879 0.9703 0.8867 0.0166 -0.0372 0.0788 95 ASN A O 736 C CB . ASN A 100 ? 0.7303 0.9113 0.8286 0.0155 -0.0173 0.0621 95 ASN A CB 737 C CG . ASN A 100 ? 0.7578 0.9327 0.8563 0.0163 -0.0085 0.0556 95 ASN A CG 738 O OD1 . ASN A 100 ? 0.7377 0.9102 0.8252 0.0127 -0.0040 0.0545 95 ASN A OD1 739 N ND2 . ASN A 100 ? 0.7986 0.9716 0.9095 0.0210 -0.0060 0.0515 95 ASN A ND2 740 N N . PRO A 101 ? 0.8823 1.0646 0.9577 0.0083 -0.0317 0.0805 96 PRO A N 741 C CA . PRO A 101 ? 0.8296 1.0090 0.8943 0.0043 -0.0255 0.0786 96 PRO A CA 742 C C . PRO A 101 ? 0.7759 0.9426 0.8374 0.0034 -0.0253 0.0817 96 PRO A C 743 O O . PRO A 101 ? 0.7478 0.9086 0.8119 0.0044 -0.0313 0.0878 96 PRO A O 744 C CB . PRO A 101 ? 0.7336 0.9218 0.7868 0.0001 -0.0277 0.0829 96 PRO A CB 745 C CG . PRO A 101 ? 0.6664 0.8632 0.7241 0.0021 -0.0340 0.0847 96 PRO A CG 746 C CD . PRO A 101 ? 0.8095 1.0002 0.8793 0.0064 -0.0383 0.0865 96 PRO A CD 747 N N . MET A 102 ? 0.6820 0.8440 0.7381 0.0015 -0.0191 0.0777 97 MET A N 748 C CA . MET A 102 ? 0.7396 0.8897 0.7918 -0.0001 -0.0193 0.0801 97 MET A CA 749 C C . MET A 102 ? 0.7837 0.9356 0.8261 -0.0053 -0.0229 0.0883 97 MET A C 750 O O . MET A 102 ? 0.6765 0.8328 0.7103 -0.0091 -0.0195 0.0880 97 MET A O 751 C CB . MET A 102 ? 0.6852 0.8305 0.7339 -0.0006 -0.0121 0.0733 97 MET A CB 752 C CG . MET A 102 ? 0.7287 0.8755 0.7855 0.0037 -0.0069 0.0653 97 MET A CG 753 S SD . MET A 102 ? 0.7874 0.9229 0.8418 0.0048 -0.0004 0.0585 97 MET A SD 754 C CE . MET A 102 ? 0.7337 0.8772 0.7938 0.0075 0.0070 0.0508 97 MET A CE 755 N N . TRP A 103 ? 0.7243 0.8732 0.7687 -0.0053 -0.0298 0.0960 98 TRP A N 756 C CA . TRP A 103 ? 0.7150 0.8675 0.7508 -0.0102 -0.0335 0.1050 98 TRP A CA 757 C C . TRP A 103 ? 0.7256 0.8719 0.7545 -0.0150 -0.0315 0.1074 98 TRP A C 758 O O . TRP A 103 ? 0.7106 0.8454 0.7424 -0.0144 -0.0304 0.1046 98 TRP A O 759 C CB . TRP A 103 ? 0.7241 0.8733 0.7639 -0.0090 -0.0416 0.1135 98 TRP A CB 760 C CG . TRP A 103 ? 0.7694 0.9269 0.8149 -0.0050 -0.0449 0.1127 98 TRP A CG 761 C CD1 . TRP A 103 ? 0.7766 0.9301 0.8339 0.0004 -0.0486 0.1113 98 TRP A CD1 762 C CD2 . TRP A 103 ? 0.7387 0.9103 0.7786 -0.0060 -0.0450 0.1126 98 TRP A CD2 763 N NE1 . TRP A 103 ? 0.7452 0.9099 0.8053 0.0026 -0.0515 0.1109 98 TRP A NE1 764 C CE2 . TRP A 103 ? 0.7159 0.8914 0.7649 -0.0014 -0.0495 0.1115 98 TRP A CE2 765 C CE3 . TRP A 103 ? 0.6895 0.8709 0.7181 -0.0102 -0.0420 0.1131 98 TRP A CE3 766 C CZ2 . TRP A 103 ? 0.7116 0.8998 0.7579 -0.0012 -0.0515 0.1107 98 TRP A CZ2 767 C CZ3 . TRP A 103 ? 0.6830 0.8767 0.7086 -0.0096 -0.0436 0.1119 98 TRP A CZ3 768 C CH2 . TRP A 103 ? 0.7143 0.9111 0.7484 -0.0053 -0.0485 0.1107 98 TRP A CH2 769 N N . ARG A 104 ? 0.8207 0.9754 0.8408 -0.0198 -0.0310 0.1124 99 ARG A N 770 C CA . ARG A 104 ? 0.7210 0.8725 0.7352 -0.0250 -0.0294 0.1155 99 ARG A CA 771 C C . ARG A 104 ? 0.8324 0.9750 0.8479 -0.0278 -0.0354 0.1250 99 ARG A C 772 O O . ARG A 104 ? 0.9348 1.0818 0.9483 -0.0293 -0.0398 0.1335 99 ARG A O 773 C CB . ARG A 104 ? 0.8026 0.9678 0.8081 -0.0286 -0.0263 0.1170 99 ARG A CB 774 C CG . ARG A 104 ? 0.8801 1.0448 0.8806 -0.0342 -0.0245 0.1208 99 ARG A CG 775 C CD . ARG A 104 ? 0.8638 1.0435 0.8566 -0.0370 -0.0214 0.1224 99 ARG A CD 776 N NE . ARG A 104 ? 0.6671 0.8541 0.6588 -0.0337 -0.0169 0.1133 99 ARG A NE 777 C CZ . ARG A 104 ? 0.8735 1.0734 0.8593 -0.0345 -0.0141 0.1123 99 ARG A CZ 778 N NH1 . ARG A 104 ? 0.9625 1.1707 0.9424 -0.0382 -0.0147 0.1196 99 ARG A NH1 779 N NH2 . ARG A 104 ? 0.7949 0.9996 0.7810 -0.0314 -0.0105 0.1038 99 ARG A NH2 780 N N . GLY A 105 ? 0.8248 0.9544 0.8433 -0.0287 -0.0357 0.1237 100 GLY A N 781 C CA . GLY A 105 ? 0.8156 0.9354 0.8357 -0.0323 -0.0412 0.1325 100 GLY A CA 782 C C . GLY A 105 ? 0.8919 1.0166 0.9053 -0.0394 -0.0397 0.1380 100 GLY A C 783 O O . GLY A 105 ? 0.9689 1.0977 0.9788 -0.0409 -0.0346 0.1324 100 GLY A O 784 N N . PRO A 106 ? 0.8849 1.0098 0.8971 -0.0440 -0.0442 0.1494 101 PRO A N 785 C CA . PRO A 106 ? 0.9133 1.0455 0.9200 -0.0512 -0.0425 0.1560 101 PRO A CA 786 C C . PRO A 106 ? 0.9362 1.0578 0.9457 -0.0554 -0.0428 0.1553 101 PRO A C 787 O O . PRO A 106 ? 0.9944 1.1225 1.0009 -0.0613 -0.0410 0.1597 101 PRO A O 788 C CB . PRO A 106 ? 0.7619 0.8964 0.7671 -0.0543 -0.0477 0.1690 101 PRO A CB 789 C CG . PRO A 106 ? 0.9492 1.0695 0.9619 -0.0501 -0.0539 0.1699 101 PRO A CG 790 C CD . PRO A 106 ? 0.9069 1.0259 0.9231 -0.0427 -0.0512 0.1574 101 PRO A CD 791 N N . GLN A 107 ? 1.0814 1.1874 1.0966 -0.0522 -0.0451 0.1496 102 GLN A N 792 C CA . GLN A 107 ? 1.0385 1.1329 1.0562 -0.0560 -0.0466 0.1485 102 GLN A CA 793 C C . GLN A 107 ? 1.0852 1.1735 1.1030 -0.0519 -0.0430 0.1356 102 GLN A C 794 O O . GLN A 107 ? 1.1177 1.2113 1.1339 -0.0464 -0.0388 0.1281 102 GLN A O 795 C CB . GLN A 107 ? 1.1017 1.1801 1.1259 -0.0572 -0.0541 0.1549 102 GLN A CB 796 C CG . GLN A 107 ? 1.1557 1.2387 1.1797 -0.0607 -0.0582 0.1684 102 GLN A CG 797 C CD . GLN A 107 ? 1.1263 1.1925 1.1571 -0.0631 -0.0659 0.1758 102 GLN A CD 798 O OE1 . GLN A 107 ? 1.2484 1.3083 1.2831 -0.0596 -0.0707 0.1798 102 GLN A OE1 799 N NE2 . GLN A 107 ? 1.1352 1.1937 1.1682 -0.0693 -0.0676 0.1778 102 GLN A NE2 800 N N . ARG A 108 ? 1.0425 1.1194 1.0617 -0.0548 -0.0449 0.1334 103 ARG A N 801 C CA . ARG A 108 ? 1.0712 1.1410 1.0891 -0.0513 -0.0420 0.1217 103 ARG A CA 802 C C . ARG A 108 ? 1.0084 1.0604 1.0295 -0.0533 -0.0469 0.1200 103 ARG A C 803 O O . ARG A 108 ? 1.0901 1.1372 1.1144 -0.0591 -0.0520 0.1283 103 ARG A O 804 C CB . ARG A 108 ? 1.0957 1.1776 1.1075 -0.0532 -0.0363 0.1178 103 ARG A CB 805 C CG . ARG A 108 ? 1.0962 1.1869 1.1069 -0.0609 -0.0370 0.1261 103 ARG A CG 806 C CD . ARG A 108 ? 1.1628 1.2437 1.1750 -0.0659 -0.0403 0.1256 103 ARG A CD 807 N NE . ARG A 108 ? 1.2445 1.3364 1.2569 -0.0732 -0.0401 0.1333 103 ARG A NE 808 C CZ . ARG A 108 ? 1.2261 1.3139 1.2407 -0.0789 -0.0429 0.1344 103 ARG A CZ 809 N NH1 . ARG A 108 ? 1.2071 1.2789 1.2225 -0.0782 -0.0464 0.1278 103 ARG A NH1 810 N NH2 . ARG A 108 ? 1.2008 1.3007 1.2168 -0.0853 -0.0422 0.1417 103 ARG A NH2 811 N N . LEU A 109 ? 0.9516 0.9941 0.9717 -0.0486 -0.0453 0.1092 104 LEU A N 812 C CA . LEU A 109 ? 0.9425 0.9678 0.9643 -0.0498 -0.0497 0.1053 104 LEU A CA 813 C C . LEU A 109 ? 0.9595 0.9865 0.9789 -0.0578 -0.0514 0.1085 104 LEU A C 814 O O . LEU A 109 ? 0.9485 0.9879 0.9629 -0.0595 -0.0469 0.1072 104 LEU A O 815 C CB . LEU A 109 ? 0.9777 0.9954 0.9963 -0.0432 -0.0461 0.0923 104 LEU A CB 816 C CG . LEU A 109 ? 0.8786 0.8935 0.9013 -0.0349 -0.0443 0.0877 104 LEU A CG 817 C CD1 . LEU A 109 ? 0.8190 0.8283 0.8377 -0.0292 -0.0395 0.0751 104 LEU A CD1 818 C CD2 . LEU A 109 ? 0.8461 0.8477 0.8772 -0.0339 -0.0513 0.0923 104 LEU A CD2 819 N N . PRO A 110 ? 0.9108 0.9253 0.9349 -0.0627 -0.0582 0.1129 105 PRO A N 820 C CA . PRO A 110 ? 0.9959 1.0116 1.0195 -0.0706 -0.0605 0.1159 105 PRO A CA 821 C C . PRO A 110 ? 0.9990 1.0046 1.0182 -0.0697 -0.0610 0.1049 105 PRO A C 822 O O . PRO A 110 ? 0.9283 0.9196 0.9471 -0.0644 -0.0624 0.0968 105 PRO A O 823 C CB . PRO A 110 ? 0.9201 0.9257 0.9515 -0.0763 -0.0680 0.1257 105 PRO A CB 824 C CG . PRO A 110 ? 0.8665 0.8566 0.9014 -0.0697 -0.0710 0.1219 105 PRO A CG 825 C CD . PRO A 110 ? 0.9033 0.9026 0.9345 -0.0614 -0.0645 0.1163 105 PRO A CD 826 N N . VAL A 111 ? 1.2705 1.2841 1.2864 -0.0744 -0.0599 0.1044 106 VAL A N 827 C CA . VAL A 111 ? 1.3483 1.3514 1.3605 -0.0753 -0.0625 0.0959 106 VAL A CA 828 C C . VAL A 111 ? 1.3887 1.3770 1.4078 -0.0813 -0.0713 0.0999 106 VAL A C 829 O O . VAL A 111 ? 1.4104 1.4041 1.4359 -0.0886 -0.0742 0.1105 106 VAL A O 830 C CB . VAL A 111 ? 1.2783 1.2946 1.2859 -0.0787 -0.0597 0.0949 106 VAL A CB 831 C CG1 . VAL A 111 ? 1.3920 1.4237 1.4052 -0.0857 -0.0596 0.1065 106 VAL A CG1 832 C CG2 . VAL A 111 ? 1.3050 1.3097 1.3098 -0.0814 -0.0647 0.0881 106 VAL A CG2 833 N N . PRO A 112 ? 1.4722 1.4414 1.4904 -0.0781 -0.0753 0.0915 107 PRO A N 834 C CA . PRO A 112 ? 1.4904 1.4434 1.5159 -0.0834 -0.0842 0.0947 107 PRO A CA 835 C C . PRO A 112 ? 1.5888 1.5428 1.6137 -0.0911 -0.0881 0.0944 107 PRO A C 836 O O . PRO A 112 ? 1.7093 1.6603 1.7423 -0.0993 -0.0942 0.1026 107 PRO A O 837 C CB . PRO A 112 ? 1.5637 1.4982 1.5882 -0.0757 -0.0858 0.0852 107 PRO A CB 838 C CG . PRO A 112 ? 1.5189 1.4583 1.5329 -0.0685 -0.0787 0.0739 107 PRO A CG 839 C CD . PRO A 112 ? 1.4831 1.4448 1.4945 -0.0690 -0.0715 0.0793 107 PRO A CD 840 N N . VAL A 113 ? 1.9518 1.9101 1.9675 -0.0886 -0.0848 0.0853 108 VAL A N 841 C CA . VAL A 113 ? 2.0974 2.0535 2.1104 -0.0938 -0.0891 0.0812 108 VAL A CA 842 C C . VAL A 113 ? 2.0869 2.0204 2.1024 -0.0961 -0.0983 0.0762 108 VAL A C 843 O O . VAL A 113 ? 2.0184 1.9481 2.0367 -0.1032 -0.1049 0.0765 108 VAL A O 844 C CB . VAL A 113 ? 2.1198 2.0925 2.1395 -0.1028 -0.0899 0.0921 108 VAL A CB 845 C CG1 . VAL A 113 ? 2.0472 2.0139 2.0791 -0.1112 -0.0970 0.1024 108 VAL A CG1 846 C CG2 . VAL A 113 ? 2.0628 2.0405 2.0776 -0.1055 -0.0912 0.0867 108 VAL A CG2 847 N N . ASN A 114 ? 1.4819 1.4006 1.4968 -0.0896 -0.0986 0.0707 109 ASN A N 848 C CA . ASN A 114 ? 1.4351 1.3309 1.4521 -0.0898 -0.1067 0.0644 109 ASN A CA 849 C C . ASN A 114 ? 1.4458 1.3305 1.4578 -0.0791 -0.1032 0.0544 109 ASN A C 850 O O . ASN A 114 ? 1.4520 1.3271 1.4715 -0.0765 -0.1052 0.0572 109 ASN A O 851 C CB . ASN A 114 ? 1.5089 1.3972 1.5395 -0.0970 -0.1141 0.0756 109 ASN A CB 852 C CG . ASN A 114 ? 1.5774 1.4581 1.6125 -0.1066 -0.1231 0.0765 109 ASN A CG 853 O OD1 . ASN A 114 ? 1.5263 1.4133 1.5556 -0.1093 -0.1234 0.0721 109 ASN A OD1 854 N ND2 . ASN A 114 ? 1.5789 1.4457 1.6250 -0.1119 -0.1311 0.0826 109 ASN A ND2 855 N N . GLU A 115 ? 1.2922 1.1789 1.2920 -0.0729 -0.0978 0.0433 110 GLU A N 856 C CA . GLU A 115 ? 1.1928 1.0738 1.1876 -0.0624 -0.0922 0.0341 110 GLU A CA 857 C C . GLU A 115 ? 1.2434 1.1014 1.2421 -0.0592 -0.0983 0.0274 110 GLU A C 858 O O . GLU A 115 ? 1.3048 1.1487 1.3045 -0.0641 -0.1067 0.0246 110 GLU A O 859 C CB . GLU A 115 ? 1.2401 1.1262 1.2203 -0.0577 -0.0859 0.0233 110 GLU A CB 860 C CG . GLU A 115 ? 1.2611 1.1330 1.2322 -0.0588 -0.0913 0.0125 110 GLU A CG 861 C CD . GLU A 115 ? 1.3344 1.2145 1.2904 -0.0558 -0.0854 0.0049 110 GLU A CD 862 O OE1 . GLU A 115 ? 1.3888 1.2590 1.3344 -0.0495 -0.0832 -0.0072 110 GLU A OE1 863 O OE2 . GLU A 115 ? 1.4672 1.3636 1.4216 -0.0597 -0.0827 0.0111 110 GLU A OE2 864 N N . LEU A 116 ? 1.3798 1.2344 1.3816 -0.0509 -0.0944 0.0248 111 LEU A N 865 C CA . LEU A 116 ? 1.3446 1.1781 1.3510 -0.0460 -0.0992 0.0179 111 LEU A CA 866 C C . LEU A 116 ? 1.4392 1.2580 1.4351 -0.0443 -0.1020 0.0034 111 LEU A C 867 O O . LEU A 116 ? 1.4868 1.3129 1.4698 -0.0419 -0.0964 -0.0040 111 LEU A O 868 C CB . LEU A 116 ? 1.3631 1.1988 1.3726 -0.0358 -0.0925 0.0152 111 LEU A CB 869 C CG . LEU A 116 ? 1.3694 1.2056 1.3931 -0.0357 -0.0951 0.0267 111 LEU A CG 870 C CD1 . LEU A 116 ? 1.4434 1.2626 1.4735 -0.0267 -0.0970 0.0193 111 LEU A CD1 871 C CD2 . LEU A 116 ? 1.4125 1.2470 1.4443 -0.0467 -0.1036 0.0402 111 LEU A CD2 872 N N . PRO A 117 ? 1.6510 1.4486 1.6520 -0.0456 -0.1111 -0.0006 112 PRO A N 873 C CA . PRO A 117 ? 1.6500 1.4326 1.6412 -0.0462 -0.1162 -0.0133 112 PRO A CA 874 C C . PRO A 117 ? 1.6481 1.4257 1.6257 -0.0360 -0.1098 -0.0297 112 PRO A C 875 O O . PRO A 117 ? 1.7366 1.5161 1.7002 -0.0370 -0.1087 -0.0373 112 PRO A O 876 C CB . PRO A 117 ? 1.6557 1.4160 1.6584 -0.0491 -0.1273 -0.0128 112 PRO A CB 877 C CG . PRO A 117 ? 1.6732 1.4347 1.6893 -0.0456 -0.1258 -0.0037 112 PRO A CG 878 C CD . PRO A 117 ? 1.6684 1.4548 1.6848 -0.0477 -0.1182 0.0079 112 PRO A CD 879 N N . HIS A 118 ? 1.6406 1.4123 1.6222 -0.0264 -0.1056 -0.0349 113 HIS A N 880 C CA . HIS A 118 ? 1.7213 1.4820 1.6922 -0.0172 -0.1021 -0.0519 113 HIS A CA 881 C C . HIS A 118 ? 1.6741 1.4491 1.6358 -0.0084 -0.0890 -0.0578 113 HIS A C 882 O O . HIS A 118 ? 1.7294 1.4977 1.6789 -0.0021 -0.0852 -0.0717 113 HIS A O 883 C CB . HIS A 118 ? 1.7975 1.5376 1.7793 -0.0115 -0.1074 -0.0570 113 HIS A CB 884 C CG . HIS A 118 ? 1.8410 1.5593 1.8241 -0.0170 -0.1197 -0.0615 113 HIS A CG 885 N ND1 . HIS A 118 ? 1.8764 1.5784 1.8750 -0.0187 -0.1288 -0.0568 113 HIS A ND1 886 C CD2 . HIS A 118 ? 1.8443 1.5540 1.8153 -0.0212 -0.1249 -0.0702 113 HIS A CD2 887 C CE1 . HIS A 118 ? 1.9942 1.6782 1.9908 -0.0240 -0.1390 -0.0626 113 HIS A CE1 888 N NE2 . HIS A 118 ? 1.8855 1.5741 1.8654 -0.0256 -0.1370 -0.0710 113 HIS A NE2 889 N N . GLY A 119 ? 1.2616 1.0557 1.2285 -0.0082 -0.0820 -0.0477 114 GLY A N 890 C CA . GLY A 119 ? 1.2048 1.0128 1.1649 -0.0005 -0.0698 -0.0522 114 GLY A CA 891 C C . GLY A 119 ? 1.1730 0.9865 1.1140 -0.0007 -0.0647 -0.0602 114 GLY A C 892 O O . GLY A 119 ? 1.1622 0.9696 1.0947 -0.0069 -0.0712 -0.0622 114 GLY A O 893 N N . TRP A 120 ? 1.2128 1.0379 1.1472 0.0060 -0.0535 -0.0646 115 TRP A N 894 C CA . TRP A 120 ? 1.1767 1.0077 1.0924 0.0059 -0.0482 -0.0710 115 TRP A CA 895 C C . TRP A 120 ? 1.1899 1.0393 1.1034 -0.0010 -0.0461 -0.0599 115 TRP A C 896 O O . TRP A 120 ? 1.1817 1.0387 1.1075 -0.0059 -0.0490 -0.0479 115 TRP A O 897 C CB . TRP A 120 ? 1.1302 0.9646 1.0387 0.0159 -0.0367 -0.0811 115 TRP A CB 898 C CG . TRP A 120 ? 1.1000 0.9458 1.0221 0.0214 -0.0292 -0.0764 115 TRP A CG 899 C CD1 . TRP A 120 ? 1.1700 1.0348 1.0923 0.0221 -0.0202 -0.0707 115 TRP A CD1 900 C CD2 . TRP A 120 ? 1.1390 0.9777 1.0770 0.0273 -0.0306 -0.0772 115 TRP A CD2 901 N NE1 . TRP A 120 ? 1.1090 0.9795 1.0463 0.0277 -0.0160 -0.0680 115 TRP A NE1 902 C CE2 . TRP A 120 ? 1.1359 0.9908 1.0830 0.0312 -0.0223 -0.0718 115 TRP A CE2 903 C CE3 . TRP A 120 ? 1.1515 0.9712 1.0974 0.0297 -0.0385 -0.0820 115 TRP A CE3 904 C CZ2 . TRP A 120 ? 1.1673 1.0209 1.1311 0.0374 -0.0218 -0.0708 115 TRP A CZ2 905 C CZ3 . TRP A 120 ? 1.1298 0.9476 1.0922 0.0361 -0.0378 -0.0808 115 TRP A CZ3 906 C CH2 . TRP A 120 ? 1.1006 0.9356 1.0717 0.0400 -0.0296 -0.0752 115 TRP A CH2 907 N N . LYS A 121 ? 1.3081 1.1643 1.2056 -0.0011 -0.0410 -0.0640 116 LYS A N 908 C CA . LYS A 121 ? 1.2139 1.0846 1.1076 -0.0079 -0.0407 -0.0549 116 LYS A CA 909 C C . LYS A 121 ? 1.1976 1.0863 1.0896 -0.0046 -0.0294 -0.0514 116 LYS A C 910 O O . LYS A 121 ? 1.2315 1.1339 1.1282 -0.0092 -0.0287 -0.0412 116 LYS A O 911 C CB . LYS A 121 ? 1.3053 1.1703 1.1825 -0.0118 -0.0453 -0.0606 116 LYS A CB 912 C CG . LYS A 121 ? 1.3674 1.2353 1.2484 -0.0216 -0.0544 -0.0518 116 LYS A CG 913 C CD . LYS A 121 ? 1.4480 1.3061 1.3144 -0.0250 -0.0614 -0.0591 116 LYS A CD 914 C CE . LYS A 121 ? 1.4499 1.2869 1.3142 -0.0222 -0.0673 -0.0702 116 LYS A CE 915 N NZ . LYS A 121 ? 1.5010 1.3281 1.3495 -0.0250 -0.0741 -0.0787 116 LYS A NZ 916 N N . ALA A 122 ? 1.1673 1.0560 1.0528 0.0032 -0.0206 -0.0598 117 ALA A N 917 C CA . ALA A 122 ? 1.1898 1.0947 1.0742 0.0063 -0.0097 -0.0570 117 ALA A CA 918 C C . ALA A 122 ? 1.2777 1.1876 1.1779 0.0119 -0.0046 -0.0550 117 ALA A C 919 O O . ALA A 122 ? 1.3262 1.2254 1.2357 0.0149 -0.0085 -0.0580 117 ALA A O 920 C CB . ALA A 122 ? 1.1376 1.0419 1.0040 0.0104 -0.0024 -0.0665 117 ALA A CB 921 N N . TRP A 123 ? 1.1321 1.0577 1.0355 0.0133 0.0036 -0.0502 118 TRP A N 922 C CA . TRP A 123 ? 1.0470 0.9798 0.9669 0.0173 0.0073 -0.0464 118 TRP A CA 923 C C . TRP A 123 ? 1.1010 1.0365 1.0217 0.0260 0.0174 -0.0543 118 TRP A C 924 O O . TRP A 123 ? 1.1949 1.1366 1.1301 0.0299 0.0202 -0.0519 118 TRP A O 925 C CB . TRP A 123 ? 1.0426 0.9920 0.9689 0.0130 0.0089 -0.0353 118 TRP A CB 926 C CG . TRP A 123 ? 0.9616 0.9113 0.8981 0.0071 0.0001 -0.0255 118 TRP A CG 927 C CD1 . TRP A 123 ? 0.9820 0.9374 0.9157 -0.0004 -0.0042 -0.0180 118 TRP A CD1 928 C CD2 . TRP A 123 ? 0.9333 0.8779 0.8843 0.0082 -0.0052 -0.0219 118 TRP A CD2 929 N NE1 . TRP A 123 ? 0.9721 0.9268 0.9174 -0.0042 -0.0112 -0.0099 118 TRP A NE1 930 C CE2 . TRP A 123 ? 0.9588 0.9065 0.9144 0.0008 -0.0122 -0.0118 118 TRP A CE2 931 C CE3 . TRP A 123 ? 1.0084 0.9463 0.9694 0.0148 -0.0047 -0.0261 118 TRP A CE3 932 C CZ2 . TRP A 123 ? 0.9391 0.8833 0.9078 -0.0006 -0.0187 -0.0052 118 TRP A CZ2 933 C CZ3 . TRP A 123 ? 0.9306 0.8642 0.9051 0.0138 -0.0118 -0.0196 118 TRP A CZ3 934 C CH2 . TRP A 123 ? 0.9236 0.8602 0.9012 0.0059 -0.0187 -0.0090 118 TRP A CH2 935 N N . GLY A 124 ? 1.1035 1.0353 1.0091 0.0289 0.0228 -0.0635 119 GLY A N 936 C CA . GLY A 124 ? 1.1838 1.1211 1.0896 0.0365 0.0340 -0.0702 119 GLY A CA 937 C C . GLY A 124 ? 1.1744 1.0994 1.0813 0.0443 0.0352 -0.0817 119 GLY A C 938 O O . GLY A 124 ? 1.2056 1.1338 1.1075 0.0504 0.0449 -0.0894 119 GLY A O 939 N N . LYS A 125 ? 1.1060 1.0173 1.0202 0.0443 0.0256 -0.0828 120 LYS A N 940 C CA . LYS A 125 ? 1.1226 1.0195 1.0373 0.0516 0.0253 -0.0946 120 LYS A CA 941 C C . LYS A 125 ? 1.0931 0.9959 1.0232 0.0604 0.0327 -0.0977 120 LYS A C 942 O O . LYS A 125 ? 1.0875 1.0019 1.0331 0.0601 0.0337 -0.0891 120 LYS A O 943 C CB . LYS A 125 ? 1.0582 0.9383 0.9784 0.0486 0.0122 -0.0939 120 LYS A CB 944 C CG . LYS A 125 ? 1.0957 0.9616 0.9983 0.0449 0.0059 -0.1007 120 LYS A CG 945 C CD . LYS A 125 ? 1.1770 1.0510 1.0671 0.0363 0.0045 -0.0937 120 LYS A CD 946 C CE . LYS A 125 ? 1.1144 0.9739 0.9892 0.0322 -0.0037 -0.0998 120 LYS A CE 947 N NZ . LYS A 125 ? 1.0709 0.9382 0.9355 0.0238 -0.0063 -0.0925 120 LYS A NZ 948 N N . SER A 126 ? 1.1940 1.0890 1.1200 0.0684 0.0376 -0.1104 121 SER A N 949 C CA . SER A 126 ? 1.2378 1.1382 1.1785 0.0778 0.0451 -0.1150 121 SER A CA 950 C C . SER A 126 ? 1.2668 1.1502 1.2091 0.0857 0.0429 -0.1279 121 SER A C 951 O O . SER A 126 ? 1.1657 1.0321 1.0982 0.0834 0.0346 -0.1327 121 SER A O 952 C CB . SER A 126 ? 1.1485 1.0650 1.0828 0.0809 0.0595 -0.1178 121 SER A CB 953 O OG . SER A 126 ? 1.2607 1.1890 1.1870 0.0730 0.0611 -0.1083 121 SER A OG 954 N N . TYR A 127 ? 1.2563 1.1444 1.2118 0.0951 0.0502 -0.1334 122 TYR A N 955 C CA . TYR A 127 ? 1.2235 1.0976 1.1810 0.1045 0.0507 -0.1473 122 TYR A CA 956 C C . TYR A 127 ? 1.2804 1.1344 1.2469 0.1042 0.0367 -0.1474 122 TYR A C 957 O O . TYR A 127 ? 1.2860 1.1241 1.2503 0.1105 0.0347 -0.1595 122 TYR A O 958 C CB . TYR A 127 ? 1.1364 1.0044 1.0694 0.1062 0.0566 -0.1598 122 TYR A CB 959 C CG . TYR A 127 ? 1.2150 1.1011 1.1360 0.1053 0.0697 -0.1588 122 TYR A CG 960 C CD1 . TYR A 127 ? 1.2122 1.1168 1.1472 0.1095 0.0804 -0.1556 122 TYR A CD1 961 C CD2 . TYR A 127 ? 1.2123 1.0969 1.1084 0.0999 0.0710 -0.1607 122 TYR A CD2 962 C CE1 . TYR A 127 ? 1.1487 1.0694 1.0734 0.1081 0.0923 -0.1541 122 TYR A CE1 963 C CE2 . TYR A 127 ? 1.2041 1.1045 1.0891 0.0988 0.0828 -0.1589 122 TYR A CE2 964 C CZ . TYR A 127 ? 1.1957 1.1138 1.0952 0.1027 0.0935 -0.1555 122 TYR A CZ 965 O OH . TYR A 127 ? 1.1520 1.0852 1.0410 0.1011 0.1051 -0.1533 122 TYR A OH 966 N N . PHE A 128 ? 1.1710 1.0257 1.1476 0.0969 0.0273 -0.1340 123 PHE A N 967 C CA . PHE A 128 ? 1.2184 1.0546 1.2034 0.0950 0.0136 -0.1319 123 PHE A CA 968 C C . PHE A 128 ? 1.2802 1.1161 1.2899 0.1012 0.0107 -0.1281 123 PHE A C 969 O O . PHE A 128 ? 1.3382 1.1905 1.3596 0.1054 0.0183 -0.1248 123 PHE A O 970 C CB . PHE A 128 ? 1.2316 1.0675 1.2119 0.0827 0.0043 -0.1191 123 PHE A CB 971 C CG . PHE A 128 ? 1.3251 1.1802 1.3146 0.0780 0.0063 -0.1047 123 PHE A CG 972 C CD1 . PHE A 128 ? 1.2686 1.1407 1.2475 0.0743 0.0147 -0.1015 123 PHE A CD1 973 C CD2 . PHE A 128 ? 1.2979 1.1536 1.3062 0.0772 -0.0005 -0.0945 123 PHE A CD2 974 C CE1 . PHE A 128 ? 1.1608 1.0498 1.1480 0.0701 0.0163 -0.0891 123 PHE A CE1 975 C CE2 . PHE A 128 ? 1.2176 1.0909 1.2333 0.0730 0.0011 -0.0820 123 PHE A CE2 976 C CZ . PHE A 128 ? 1.2082 1.0980 1.2136 0.0695 0.0095 -0.0797 123 PHE A CZ 977 N N . VAL A 129 ? 1.2494 1.0662 1.2675 0.1016 -0.0007 -0.1285 124 VAL A N 978 C CA . VAL A 129 ? 1.2845 1.0987 1.3259 0.1069 -0.0056 -0.1237 124 VAL A CA 979 C C . VAL A 129 ? 1.2691 1.0930 1.3197 0.0986 -0.0118 -0.1058 124 VAL A C 980 O O . VAL A 129 ? 1.2770 1.0964 1.3198 0.0886 -0.0192 -0.0979 124 VAL A O 981 C CB . VAL A 129 ? 1.2596 1.0481 1.3068 0.1104 -0.0162 -0.1302 124 VAL A CB 982 C CG1 . VAL A 129 ? 1.2259 1.0123 1.2968 0.1200 -0.0179 -0.1300 124 VAL A CG1 983 C CG2 . VAL A 129 ? 1.2099 0.9856 1.2410 0.1149 -0.0128 -0.1476 124 VAL A CG2 984 N N . ARG A 130 ? 1.5941 1.4317 1.6614 0.1028 -0.0086 -0.0995 125 ARG A N 985 C CA . ARG A 130 ? 1.6036 1.4509 1.6797 0.0958 -0.0144 -0.0830 125 ARG A CA 986 C C . ARG A 130 ? 1.5783 1.4084 1.6655 0.0938 -0.0281 -0.0761 125 ARG A C 987 O O . ARG A 130 ? 1.6165 1.4310 1.7129 0.1013 -0.0320 -0.0834 125 ARG A O 988 C CB . ARG A 130 ? 1.6246 1.4919 1.7150 0.1009 -0.0074 -0.0789 125 ARG A CB 989 C CG . ARG A 130 ? 1.7000 1.5736 1.7944 0.1119 0.0040 -0.0919 125 ARG A CG 990 C CD . ARG A 130 ? 1.8484 1.7116 1.9619 0.1224 0.0003 -0.0970 125 ARG A CD 991 N NE . ARG A 130 ? 1.9405 1.8171 2.0642 0.1326 0.0115 -0.1052 125 ARG A NE 992 C CZ . ARG A 130 ? 1.9290 1.8019 2.0718 0.1432 0.0106 -0.1101 125 ARG A CZ 993 N NH1 . ARG A 130 ? 1.8669 1.7219 2.0202 0.1451 -0.0014 -0.1075 125 ARG A NH1 994 N NH2 . ARG A 130 ? 1.8538 1.7411 2.0060 0.1519 0.0217 -0.1173 125 ARG A NH2 995 N N . ALA A 131 ? 1.3144 1.1473 1.4008 0.0839 -0.0352 -0.0620 126 ALA A N 996 C CA . ALA A 131 ? 1.3004 1.1179 1.3962 0.0804 -0.0482 -0.0534 126 ALA A CA 997 C C . ALA A 131 ? 1.3383 1.1575 1.4549 0.0872 -0.0515 -0.0478 126 ALA A C 998 O O . ALA A 131 ? 1.2506 1.0863 1.3746 0.0929 -0.0442 -0.0481 126 ALA A O 999 C CB . ALA A 131 ? 1.1691 0.9916 1.2579 0.0677 -0.0536 -0.0396 126 ALA A CB 1000 N N . ALA A 132 ? 1.4578 1.2597 1.5843 0.0866 -0.0630 -0.0423 127 ALA A N 1001 C CA . ALA A 132 ? 1.3917 1.1932 1.5381 0.0927 -0.0681 -0.0356 127 ALA A CA 1002 C C . ALA A 132 ? 1.4370 1.2513 1.5864 0.0848 -0.0726 -0.0177 127 ALA A C 1003 O O . ALA A 132 ? 1.4232 1.2399 1.5615 0.0739 -0.0750 -0.0097 127 ALA A O 1004 C CB . ALA A 132 ? 1.3782 1.1540 1.5341 0.0962 -0.0787 -0.0381 127 ALA A CB 1005 N N . LYS A 133 ? 1.3108 1.1339 1.4756 0.0904 -0.0737 -0.0117 128 LYS A N 1006 C CA . LYS A 133 ? 1.2605 1.0961 1.4281 0.0838 -0.0781 0.0049 128 LYS A CA 1007 C C . LYS A 133 ? 1.3128 1.1324 1.4830 0.0770 -0.0909 0.0170 128 LYS A C 1008 O O . LYS A 133 ? 1.3403 1.1382 1.5128 0.0782 -0.0970 0.0126 128 LYS A O 1009 C CB . LYS A 133 ? 1.3424 1.1913 1.5260 0.0921 -0.0766 0.0073 128 LYS A CB 1010 C CG . LYS A 133 ? 1.4054 1.2751 1.5867 0.0961 -0.0639 -0.0007 128 LYS A CG 1011 C CD . LYS A 133 ? 1.4815 1.3625 1.6813 0.1055 -0.0629 -0.0003 128 LYS A CD 1012 C CE . LYS A 133 ? 1.4941 1.3957 1.6924 0.1088 -0.0500 -0.0082 128 LYS A CE 1013 N NZ . LYS A 133 ? 1.4983 1.4102 1.7166 0.1189 -0.0484 -0.0101 128 LYS A NZ 1014 N N . THR A 134 ? 1.2825 1.1128 1.4520 0.0697 -0.0948 0.0324 129 THR A N 1015 C CA . THR A 134 ? 1.2556 1.0738 1.4258 0.0615 -0.1059 0.0460 129 THR A CA 1016 C C . THR A 134 ? 1.3617 1.1928 1.5377 0.0590 -0.1102 0.0618 129 THR A C 1017 O O . THR A 134 ? 1.3941 1.2462 1.5674 0.0594 -0.1037 0.0632 129 THR A O 1018 C CB . THR A 134 ? 1.3240 1.1410 1.4780 0.0497 -0.1053 0.0481 129 THR A CB 1019 O OG1 . THR A 134 ? 1.2842 1.0919 1.4307 0.0520 -0.1006 0.0327 129 THR A OG1 1020 C CG2 . THR A 134 ? 1.4871 1.2894 1.6433 0.0413 -0.1166 0.0610 129 THR A CG2 1021 N N . ASN A 135 ? 1.6328 1.4509 1.8165 0.0566 -0.1212 0.0737 130 ASN A N 1022 C CA . ASN A 135 ? 1.6653 1.4945 1.8512 0.0524 -0.1263 0.0904 130 ASN A CA 1023 C C . ASN A 135 ? 1.6204 1.4666 1.7908 0.0416 -0.1215 0.0972 130 ASN A C 1024 O O . ASN A 135 ? 1.6307 1.4956 1.7991 0.0403 -0.1194 0.1045 130 ASN A O 1025 C CB . ASN A 135 ? 1.7316 1.5420 1.9256 0.0496 -0.1390 0.1029 130 ASN A CB 1026 C CG . ASN A 135 ? 1.7183 1.5166 1.9302 0.0611 -0.1451 0.1004 130 ASN A CG 1027 O OD1 . ASN A 135 ? 1.6010 1.4002 1.8196 0.0715 -0.1396 0.0863 130 ASN A OD1 1028 N ND2 . ASN A 135 ? 1.6575 1.4447 1.8777 0.0595 -0.1563 0.1143 130 ASN A ND2 1029 N N . ASN A 136 ? 1.5431 1.3827 1.7029 0.0340 -0.1200 0.0944 131 ASN A N 1030 C CA . ASN A 136 ? 1.5351 1.3902 1.6805 0.0245 -0.1147 0.0985 131 ASN A CA 1031 C C . ASN A 136 ? 1.3961 1.2685 1.5348 0.0283 -0.1031 0.0871 131 ASN A C 1032 O O . ASN A 136 ? 1.4019 1.2686 1.5383 0.0326 -0.0979 0.0732 131 ASN A O 1033 C CB . ASN A 136 ? 1.6001 1.4426 1.7379 0.0156 -0.1172 0.0985 131 ASN A CB 1034 C CG . ASN A 136 ? 1.7686 1.6141 1.9028 0.0043 -0.1227 0.1154 131 ASN A CG 1035 O OD1 . ASN A 136 ? 1.7480 1.5965 1.8877 0.0038 -0.1279 0.1280 131 ASN A OD1 1036 N ND2 . ASN A 136 ? 1.7435 1.5888 1.8683 -0.0048 -0.1215 0.1158 131 ASN A ND2 1037 N N . SER A 137 ? 1.2727 1.1658 1.4080 0.0266 -0.0992 0.0931 132 SER A N 1038 C CA . SER A 137 ? 1.1815 1.0915 1.3110 0.0296 -0.0886 0.0837 132 SER A CA 1039 C C . SER A 137 ? 1.1462 1.0720 1.2625 0.0206 -0.0842 0.0891 132 SER A C 1040 O O . SER A 137 ? 1.0636 0.9984 1.1784 0.0154 -0.0876 0.1015 132 SER A O 1041 C CB . SER A 137 ? 1.0178 0.9392 1.1579 0.0380 -0.0870 0.0830 132 SER A CB 1042 O OG . SER A 137 ? 1.1814 1.0901 1.3344 0.0477 -0.0892 0.0754 132 SER A OG 1043 N N . PHE A 138 ? 1.1507 1.0799 1.2573 0.0189 -0.0768 0.0798 133 PHE A N 1044 C CA . PHE A 138 ? 1.0717 1.0168 1.1666 0.0118 -0.0716 0.0829 133 PHE A CA 1045 C C . PHE A 138 ? 1.0195 0.9825 1.1144 0.0166 -0.0638 0.0781 133 PHE A C 1046 O O . PHE A 138 ? 0.9887 0.9528 1.0825 0.0216 -0.0568 0.0665 133 PHE A O 1047 C CB . PHE A 138 ? 1.0321 0.9712 1.1164 0.0070 -0.0687 0.0763 133 PHE A CB 1048 C CG . PHE A 138 ? 0.9617 0.9140 1.0355 -0.0017 -0.0661 0.0823 133 PHE A CG 1049 C CD1 . PHE A 138 ? 1.0374 0.9889 1.1101 -0.0100 -0.0720 0.0944 133 PHE A CD1 1050 C CD2 . PHE A 138 ? 0.9251 0.8906 0.9907 -0.0016 -0.0575 0.0759 133 PHE A CD2 1051 C CE1 . PHE A 138 ? 1.0286 0.9931 1.0925 -0.0175 -0.0692 0.0995 133 PHE A CE1 1052 C CE2 . PHE A 138 ? 0.9581 0.9355 1.0150 -0.0089 -0.0553 0.0809 133 PHE A CE2 1053 C CZ . PHE A 138 ? 0.9969 0.9741 1.0531 -0.0167 -0.0610 0.0925 133 PHE A CZ 1054 N N . VAL A 139 ? 1.0365 1.0134 1.1325 0.0148 -0.0650 0.0871 134 VAL A N 1055 C CA . VAL A 139 ? 1.0264 1.0192 1.1256 0.0197 -0.0596 0.0838 134 VAL A CA 1056 C C . VAL A 139 ? 1.0068 1.0143 1.0953 0.0160 -0.0514 0.0802 134 VAL A C 1057 O O . VAL A 139 ? 1.0387 1.0501 1.1176 0.0084 -0.0514 0.0854 134 VAL A O 1058 C CB . VAL A 139 ? 1.0434 1.0440 1.1490 0.0200 -0.0658 0.0948 134 VAL A CB 1059 C CG1 . VAL A 139 ? 1.0576 1.0783 1.1570 0.0171 -0.0617 0.0976 134 VAL A CG1 1060 C CG2 . VAL A 139 ? 0.9736 0.9700 1.0941 0.0294 -0.0686 0.0918 134 VAL A CG2 1061 N N . VAL A 140 ? 0.9252 0.9407 1.0161 0.0214 -0.0442 0.0712 135 VAL A N 1062 C CA . VAL A 140 ? 0.8504 0.8799 0.9328 0.0187 -0.0364 0.0677 135 VAL A CA 1063 C C . VAL A 140 ? 0.8267 0.8709 0.9165 0.0230 -0.0336 0.0669 135 VAL A C 1064 O O . VAL A 140 ? 0.8511 0.8967 0.9480 0.0293 -0.0289 0.0587 135 VAL A O 1065 C CB . VAL A 140 ? 0.8416 0.8660 0.9178 0.0201 -0.0292 0.0566 135 VAL A CB 1066 C CG1 . VAL A 140 ? 0.8243 0.8626 0.8919 0.0171 -0.0217 0.0541 135 VAL A CG1 1067 C CG2 . VAL A 140 ? 0.8236 0.8328 0.8930 0.0160 -0.0328 0.0566 135 VAL A CG2 1068 N N . ASP A 141 ? 0.8918 0.9473 0.9801 0.0194 -0.0367 0.0752 136 ASP A N 1069 C CA . ASP A 141 ? 0.8897 0.9595 0.9848 0.0226 -0.0357 0.0754 136 ASP A CA 1070 C C . ASP A 141 ? 0.9919 1.0582 1.1023 0.0304 -0.0390 0.0737 136 ASP A C 1071 O O . ASP A 141 ? 1.0478 1.1007 1.1632 0.0326 -0.0445 0.0758 136 ASP A O 1072 C CB . ASP A 141 ? 0.8330 0.9131 0.9246 0.0228 -0.0264 0.0673 136 ASP A CB 1073 C CG . ASP A 141 ? 0.8891 0.9722 0.9665 0.0159 -0.0230 0.0682 136 ASP A CG 1074 O OD1 . ASP A 141 ? 0.9213 1.0084 0.9927 0.0107 -0.0271 0.0763 136 ASP A OD1 1075 O OD2 . ASP A 141 ? 0.8512 0.9328 0.9235 0.0158 -0.0163 0.0609 136 ASP A OD2 1076 N N . GLY A 142 ? 1.2275 1.3058 1.3461 0.0345 -0.0359 0.0699 137 GLY A N 1077 C CA . GLY A 142 ? 1.2563 1.3335 1.3911 0.0427 -0.0374 0.0663 137 GLY A CA 1078 C C . GLY A 142 ? 1.3353 1.4107 1.4794 0.0451 -0.0476 0.0748 137 GLY A C 1079 O O . GLY A 142 ? 1.4238 1.4875 1.5772 0.0502 -0.0517 0.0744 137 GLY A O 1080 N N . ASP A 143 ? 0.9275 1.0141 1.0689 0.0417 -0.0519 0.0824 138 ASP A N 1081 C CA . ASP A 143 ? 0.9877 1.0754 1.1376 0.0442 -0.0618 0.0908 138 ASP A CA 1082 C C . ASP A 143 ? 1.0067 1.0777 1.1567 0.0439 -0.0694 0.0979 138 ASP A C 1083 O O . ASP A 143 ? 0.8521 0.9148 1.0151 0.0504 -0.0741 0.0977 138 ASP A O 1084 C CB . ASP A 143 ? 0.9154 1.0092 1.0835 0.0526 -0.0617 0.0853 138 ASP A CB 1085 C CG . ASP A 143 ? 0.9649 1.0620 1.1424 0.0554 -0.0723 0.0938 138 ASP A CG 1086 O OD1 . ASP A 143 ? 1.1214 1.2186 1.3159 0.0630 -0.0745 0.0908 138 ASP A OD1 1087 O OD2 . ASP A 143 ? 0.9470 1.0468 1.1147 0.0501 -0.0784 0.1036 138 ASP A OD2 1088 N N . THR A 144 ? 1.0004 1.0665 1.1365 0.0364 -0.0707 0.1043 139 THR A N 1089 C CA . THR A 144 ? 0.9524 1.0020 1.0877 0.0347 -0.0774 0.1112 139 THR A CA 1090 C C . THR A 144 ? 0.9721 1.0236 1.0952 0.0265 -0.0823 0.1237 139 THR A C 1091 O O . THR A 144 ? 0.9781 1.0170 1.0971 0.0223 -0.0858 0.1293 139 THR A O 1092 C CB . THR A 144 ? 0.8913 0.9271 1.0232 0.0342 -0.0724 0.1035 139 THR A CB 1093 O OG1 . THR A 144 ? 0.9336 0.9776 1.0536 0.0292 -0.0640 0.0985 139 THR A OG1 1094 C CG2 . THR A 144 ? 0.8834 0.9128 1.0285 0.0432 -0.0695 0.0927 139 THR A CG2 1095 N N . LEU A 145 ? 0.9753 1.0427 1.0930 0.0239 -0.0825 0.1279 140 LEU A N 1096 C CA . LEU A 145 ? 0.9635 1.0350 1.0692 0.0165 -0.0865 0.1397 140 LEU A CA 1097 C C . LEU A 145 ? 1.0886 1.1503 1.1988 0.0169 -0.0971 0.1515 140 LEU A C 1098 O O . LEU A 145 ? 1.1165 1.1746 1.2182 0.0104 -0.1005 0.1619 140 LEU A O 1099 C CB . LEU A 145 ? 0.8757 0.9662 0.9750 0.0149 -0.0849 0.1405 140 LEU A CB 1100 C CG . LEU A 145 ? 0.9666 1.0674 1.0582 0.0122 -0.0751 0.1317 140 LEU A CG 1101 C CD1 . LEU A 145 ? 0.9818 1.0999 1.0668 0.0103 -0.0751 0.1336 140 LEU A CD1 1102 C CD2 . LEU A 145 ? 1.0035 1.0983 1.0844 0.0057 -0.0712 0.1328 140 LEU A CD2 1103 N N . LYS A 146 ? 1.3865 1.4444 1.5110 0.0246 -0.1021 0.1502 141 LYS A N 1104 C CA . LYS A 146 ? 1.3994 1.4475 1.5299 0.0262 -0.1128 0.1614 141 LYS A CA 1105 C C . LYS A 146 ? 1.3723 1.4005 1.5034 0.0236 -0.1156 0.1651 141 LYS A C 1106 O O . LYS A 146 ? 1.4334 1.4548 1.5612 0.0195 -0.1230 0.1778 141 LYS A O 1107 C CB . LYS A 146 ? 1.4973 1.5455 1.6450 0.0359 -0.1172 0.1577 141 LYS A CB 1108 C CG . LYS A 146 ? 1.4994 1.5660 1.6478 0.0378 -0.1191 0.1589 141 LYS A CG 1109 C CD . LYS A 146 ? 1.4621 1.5330 1.6000 0.0325 -0.1271 0.1737 141 LYS A CD 1110 C CE . LYS A 146 ? 1.4376 1.5271 1.5738 0.0336 -0.1290 0.1742 141 LYS A CE 1111 N NZ . LYS A 146 ? 1.5871 1.6812 1.7109 0.0285 -0.1365 0.1884 141 LYS A NZ 1112 N N . GLU A 147 ? 1.2808 1.2997 1.4156 0.0258 -0.1098 0.1540 142 GLU A N 1113 C CA . GLU A 147 ? 1.2538 1.2529 1.3896 0.0236 -0.1126 0.1557 142 GLU A CA 1114 C C . GLU A 147 ? 1.2630 1.2622 1.3848 0.0144 -0.1073 0.1561 142 GLU A C 1115 O O . GLU A 147 ? 1.2472 1.2312 1.3687 0.0110 -0.1094 0.1575 142 GLU A O 1116 C CB . GLU A 147 ? 1.2292 1.2158 1.3774 0.0318 -0.1106 0.1433 142 GLU A CB 1117 C CG . GLU A 147 ? 1.2350 1.2283 1.3800 0.0335 -0.0995 0.1287 142 GLU A CG 1118 C CD . GLU A 147 ? 1.3155 1.2941 1.4696 0.0403 -0.0973 0.1171 142 GLU A CD 1119 O OE1 . GLU A 147 ? 1.1801 1.1405 1.3357 0.0391 -0.1023 0.1192 142 GLU A OE1 1120 O OE2 . GLU A 147 ? 1.2942 1.2795 1.4542 0.0468 -0.0907 0.1058 142 GLU A OE2 1121 N N . CYS A 148 ? 1.3006 1.3171 1.4120 0.0105 -0.1009 0.1546 143 CYS A N 1122 C CA . CYS A 148 ? 1.1710 1.1907 1.2695 0.0019 -0.0959 0.1556 143 CYS A CA 1123 C C . CYS A 148 ? 1.2205 1.2608 1.3088 -0.0013 -0.0908 0.1564 143 CYS A C 1124 O O . CYS A 148 ? 1.2079 1.2576 1.2957 0.0018 -0.0838 0.1460 143 CYS A O 1125 C CB . CYS A 148 ? 1.1813 1.1928 1.2796 0.0028 -0.0894 0.1431 143 CYS A CB 1126 S SG . CYS A 148 ? 1.2638 1.2809 1.3476 -0.0071 -0.0834 0.1434 143 CYS A SG 1127 N N . PRO A 149 ? 1.1314 1.1788 1.2115 -0.0075 -0.0942 0.1686 144 PRO A N 1128 C CA . PRO A 149 ? 1.1361 1.2029 1.2060 -0.0103 -0.0900 0.1696 144 PRO A CA 1129 C C . PRO A 149 ? 1.0513 1.1250 1.1126 -0.0145 -0.0811 0.1625 144 PRO A C 1130 O O . PRO A 149 ? 1.0126 1.0765 1.0732 -0.0177 -0.0791 0.1603 144 PRO A O 1131 C CB . PRO A 149 ? 1.1355 1.2050 1.1985 -0.0161 -0.0961 0.1851 144 PRO A CB 1132 C CG . PRO A 149 ? 1.0948 1.1467 1.1614 -0.0196 -0.1004 0.1914 144 PRO A CG 1133 C CD . PRO A 149 ? 1.0881 1.1252 1.1677 -0.0123 -0.1019 0.1822 144 PRO A CD 1134 N N . LEU A 150 ? 1.0423 1.1325 1.0973 -0.0145 -0.0763 0.1589 145 LEU A N 1135 C CA . LEU A 150 ? 1.0199 1.1185 1.0670 -0.0178 -0.0679 0.1521 145 LEU A CA 1136 C C . LEU A 150 ? 1.0583 1.1544 1.0979 -0.0257 -0.0670 0.1583 145 LEU A C 1137 O O . LEU A 150 ? 1.0386 1.1319 1.0762 -0.0277 -0.0619 0.1520 145 LEU A O 1138 C CB . LEU A 150 ? 0.9130 1.0298 0.9536 -0.0176 -0.0652 0.1510 145 LEU A CB 1139 C CG . LEU A 150 ? 0.8963 1.0225 0.9347 -0.0161 -0.0571 0.1395 145 LEU A CG 1140 C CD1 . LEU A 150 ? 0.9164 1.0592 0.9456 -0.0184 -0.0557 0.1417 145 LEU A CD1 1141 C CD2 . LEU A 150 ? 0.9210 1.0418 0.9563 -0.0190 -0.0512 0.1341 145 LEU A CD2 1142 N N . LYS A 151 ? 1.1537 1.2512 1.1893 -0.0303 -0.0719 0.1709 146 LYS A N 1143 C CA . LYS A 151 ? 1.1595 1.2597 1.1877 -0.0386 -0.0703 0.1781 146 LYS A CA 1144 C C . LYS A 151 ? 1.1377 1.2209 1.1710 -0.0420 -0.0732 0.1806 146 LYS A C 1145 O O . LYS A 151 ? 1.1352 1.2190 1.1647 -0.0493 -0.0732 0.1881 146 LYS A O 1146 C CB . LYS A 151 ? 1.2244 1.3344 1.2456 -0.0424 -0.0739 0.1910 146 LYS A CB 1147 C CG . LYS A 151 ? 1.3361 1.4625 1.3514 -0.0391 -0.0717 0.1879 146 LYS A CG 1148 C CD . LYS A 151 ? 1.5087 1.6434 1.5168 -0.0416 -0.0764 0.2003 146 LYS A CD 1149 C CE . LYS A 151 ? 1.3460 1.4955 1.3490 -0.0375 -0.0753 0.1956 146 LYS A CE 1150 N NZ . LYS A 151 ? 1.3034 1.4619 1.2972 -0.0399 -0.0799 0.2072 146 LYS A NZ 1151 N N . HIS A 152 ? 1.0280 1.0967 1.0705 -0.0366 -0.0755 0.1740 147 HIS A N 1152 C CA . HIS A 152 ? 1.0114 1.0629 1.0588 -0.0390 -0.0779 0.1733 147 HIS A CA 1153 C C . HIS A 152 ? 0.9718 1.0181 1.0213 -0.0348 -0.0728 0.1586 147 HIS A C 1154 O O . HIS A 152 ? 0.9725 1.0028 1.0274 -0.0338 -0.0751 0.1545 147 HIS A O 1155 C CB . HIS A 152 ? 1.1525 1.1881 1.2089 -0.0367 -0.0867 0.1797 147 HIS A CB 1156 C CG . HIS A 152 ? 1.2343 1.2712 1.2883 -0.0425 -0.0925 0.1958 147 HIS A CG 1157 N ND1 . HIS A 152 ? 1.2696 1.3166 1.3151 -0.0510 -0.0901 0.2040 147 HIS A ND1 1158 C CD2 . HIS A 152 ? 1.1420 1.1715 1.2010 -0.0410 -0.1006 0.2056 147 HIS A CD2 1159 C CE1 . HIS A 152 ? 1.1430 1.1892 1.1877 -0.0548 -0.0960 0.2184 147 HIS A CE1 1160 N NE2 . HIS A 152 ? 1.1836 1.2187 1.2361 -0.0489 -0.1027 0.2199 147 HIS A NE2 1161 N N . ARG A 153 ? 0.9608 1.0203 1.0055 -0.0325 -0.0658 0.1506 148 ARG A N 1162 C CA . ARG A 153 ? 0.9498 1.0059 0.9957 -0.0282 -0.0604 0.1372 148 ARG A CA 1163 C C . ARG A 153 ? 0.8152 0.8790 0.8529 -0.0326 -0.0540 0.1328 148 ARG A C 1164 O O . ARG A 153 ? 0.8070 0.8845 0.8383 -0.0368 -0.0517 0.1376 148 ARG A O 1165 C CB . ARG A 153 ? 0.8733 0.9365 0.9228 -0.0206 -0.0576 0.1301 148 ARG A CB 1166 C CG . ARG A 153 ? 0.9029 0.9573 0.9628 -0.0145 -0.0633 0.1313 148 ARG A CG 1167 C CD . ARG A 153 ? 0.8933 0.9529 0.9587 -0.0068 -0.0592 0.1213 148 ARG A CD 1168 N NE . ARG A 153 ? 0.8329 0.8875 0.9093 -0.0006 -0.0647 0.1230 148 ARG A NE 1169 C CZ . ARG A 153 ? 0.9091 0.9669 0.9936 0.0067 -0.0623 0.1152 148 ARG A CZ 1170 N NH1 . ARG A 153 ? 0.9918 1.0572 1.0741 0.0083 -0.0542 0.1054 148 ARG A NH1 1171 N NH2 . ARG A 153 ? 1.0047 1.0583 1.1003 0.0123 -0.0681 0.1174 148 ARG A NH2 1172 N N . ALA A 154 ? 0.8390 0.8940 0.8768 -0.0311 -0.0513 0.1234 149 ALA A N 1173 C CA . ALA A 154 ? 0.8206 0.8817 0.8514 -0.0342 -0.0456 0.1181 149 ALA A CA 1174 C C . ALA A 154 ? 0.7870 0.8596 0.8151 -0.0296 -0.0388 0.1102 149 ALA A C 1175 O O . ALA A 154 ? 0.7142 0.7853 0.7473 -0.0232 -0.0379 0.1050 149 ALA A O 1176 C CB . ALA A 154 ? 0.8614 0.9078 0.8924 -0.0347 -0.0462 0.1116 149 ALA A CB 1177 N N . TRP A 155 ? 0.9192 1.0033 0.9405 -0.0328 -0.0342 0.1092 150 TRP A N 1178 C CA . TRP A 155 ? 0.8273 0.9228 0.8462 -0.0293 -0.0281 0.1028 150 TRP A CA 1179 C C . TRP A 155 ? 0.7677 0.8692 0.7797 -0.0324 -0.0232 0.0990 150 TRP A C 1180 O O . TRP A 155 ? 0.8510 0.9563 0.8597 -0.0380 -0.0242 0.1045 150 TRP A O 1181 C CB . TRP A 155 ? 0.7814 0.8897 0.8004 -0.0289 -0.0290 0.1084 150 TRP A CB 1182 C CG . TRP A 155 ? 0.7374 0.8583 0.7539 -0.0264 -0.0236 0.1027 150 TRP A CG 1183 C CD1 . TRP A 155 ? 0.7298 0.8526 0.7508 -0.0208 -0.0214 0.0965 150 TRP A CD1 1184 C CD2 . TRP A 155 ? 0.6966 0.8298 0.7064 -0.0296 -0.0197 0.1028 150 TRP A CD2 1185 N NE1 . TRP A 155 ? 0.7280 0.8628 0.7454 -0.0207 -0.0167 0.0928 150 TRP A NE1 1186 C CE2 . TRP A 155 ? 0.6389 0.7799 0.6492 -0.0257 -0.0157 0.0964 150 TRP A CE2 1187 C CE3 . TRP A 155 ? 0.6724 0.8111 0.6768 -0.0352 -0.0193 0.1077 150 TRP A CE3 1188 C CZ2 . TRP A 155 ? 0.6058 0.7585 0.6109 -0.0270 -0.0116 0.0943 150 TRP A CZ2 1189 C CZ3 . TRP A 155 ? 0.6309 0.7822 0.6304 -0.0361 -0.0148 0.1055 150 TRP A CZ3 1190 C CH2 . TRP A 155 ? 0.6564 0.8140 0.6560 -0.0319 -0.0112 0.0987 150 TRP A CH2 1191 N N . ASN A 156 ? 0.8116 0.9144 0.8222 -0.0286 -0.0179 0.0901 151 ASN A N 1192 C CA . ASN A 156 ? 0.8132 0.9205 0.8175 -0.0306 -0.0134 0.0859 151 ASN A CA 1193 C C . ASN A 156 ? 0.8375 0.9360 0.8391 -0.0349 -0.0158 0.0867 151 ASN A C 1194 O O . ASN A 156 ? 0.8356 0.9404 0.8335 -0.0394 -0.0152 0.0893 151 ASN A O 1195 C CB . ASN A 156 ? 0.7531 0.8760 0.7542 -0.0331 -0.0114 0.0897 151 ASN A CB 1196 C CG . ASN A 156 ? 0.7023 0.8307 0.6984 -0.0332 -0.0061 0.0840 151 ASN A CG 1197 O OD1 . ASN A 156 ? 0.7645 0.8877 0.7598 -0.0301 -0.0030 0.0769 151 ASN A OD1 1198 N ND2 . ASN A 156 ? 0.7629 0.9022 0.7559 -0.0366 -0.0051 0.0874 151 ASN A ND2 1199 N N . SER A 157 ? 0.7672 0.8512 0.7712 -0.0334 -0.0186 0.0840 152 SER A N 1200 C CA . SER A 157 ? 0.7786 0.8526 0.7811 -0.0377 -0.0224 0.0849 152 SER A CA 1201 C C . SER A 157 ? 0.8565 0.9271 0.8526 -0.0375 -0.0192 0.0770 152 SER A C 1202 O O . SER A 157 ? 0.9241 0.9900 0.9178 -0.0420 -0.0221 0.0778 152 SER A O 1203 C CB . SER A 157 ? 0.8140 0.8727 0.8219 -0.0362 -0.0277 0.0853 152 SER A CB 1204 O OG . SER A 157 ? 0.9618 1.0228 0.9753 -0.0367 -0.0314 0.0936 152 SER A OG 1205 N N . PHE A 158 ? 0.7968 0.8697 0.7903 -0.0325 -0.0137 0.0698 153 PHE A N 1206 C CA . PHE A 158 ? 0.7229 0.7910 0.7095 -0.0316 -0.0108 0.0623 153 PHE A CA 1207 C C . PHE A 158 ? 0.7236 0.8034 0.7051 -0.0327 -0.0062 0.0614 153 PHE A C 1208 O O . PHE A 158 ? 0.7543 0.8454 0.7376 -0.0314 -0.0030 0.0631 153 PHE A O 1209 C CB . PHE A 158 ? 0.6840 0.7444 0.6708 -0.0253 -0.0074 0.0543 153 PHE A CB 1210 C CG . PHE A 158 ? 0.7396 0.7857 0.7304 -0.0235 -0.0119 0.0529 153 PHE A CG 1211 C CD1 . PHE A 158 ? 0.7903 0.8237 0.7764 -0.0248 -0.0147 0.0486 153 PHE A CD1 1212 C CD2 . PHE A 158 ? 0.7653 0.8105 0.7647 -0.0205 -0.0138 0.0557 153 PHE A CD2 1213 C CE1 . PHE A 158 ? 0.7906 0.8098 0.7807 -0.0229 -0.0191 0.0466 153 PHE A CE1 1214 C CE2 . PHE A 158 ? 0.7205 0.7518 0.7245 -0.0185 -0.0182 0.0543 153 PHE A CE2 1215 C CZ . PHE A 158 ? 0.7950 0.8131 0.7945 -0.0196 -0.0207 0.0496 153 PHE A CZ 1216 N N . LEU A 159 ? 0.8395 0.9159 0.8147 -0.0348 -0.0064 0.0585 154 LEU A N 1217 C CA . LEU A 159 ? 0.7970 0.8821 0.7669 -0.0353 -0.0025 0.0570 154 LEU A CA 1218 C C . LEU A 159 ? 0.7895 0.8667 0.7516 -0.0327 0.0003 0.0493 154 LEU A C 1219 O O . LEU A 159 ? 0.8193 0.8852 0.7779 -0.0335 -0.0029 0.0463 154 LEU A O 1220 C CB . LEU A 159 ? 0.8090 0.9002 0.7788 -0.0410 -0.0058 0.0622 154 LEU A CB 1221 C CG . LEU A 159 ? 0.8552 0.9611 0.8292 -0.0430 -0.0048 0.0686 154 LEU A CG 1222 C CD1 . LEU A 159 ? 0.9045 1.0158 0.8793 -0.0486 -0.0079 0.0734 154 LEU A CD1 1223 C CD2 . LEU A 159 ? 0.8134 0.9284 0.7855 -0.0395 0.0010 0.0655 154 LEU A CD2 1224 N N . VAL A 160 ? 0.7315 0.8145 0.6907 -0.0298 0.0061 0.0462 155 VAL A N 1225 C CA . VAL A 160 ? 0.6664 0.7437 0.6168 -0.0278 0.0092 0.0401 155 VAL A CA 1226 C C . VAL A 160 ? 0.8163 0.8936 0.7607 -0.0318 0.0060 0.0412 155 VAL A C 1227 O O . VAL A 160 ? 0.8766 0.9637 0.8238 -0.0346 0.0049 0.0459 155 VAL A O 1228 C CB . VAL A 160 ? 0.7283 0.8123 0.6780 -0.0244 0.0162 0.0377 155 VAL A CB 1229 C CG1 . VAL A 160 ? 0.7576 0.8360 0.6972 -0.0229 0.0195 0.0325 155 VAL A CG1 1230 C CG2 . VAL A 160 ? 0.6349 0.7196 0.5919 -0.0205 0.0190 0.0364 155 VAL A CG2 1231 N N . GLU A 161 ? 0.9918 1.0588 0.9281 -0.0318 0.0044 0.0366 156 GLU A N 1232 C CA . GLU A 161 ? 1.0194 1.0855 0.9501 -0.0355 0.0002 0.0373 156 GLU A CA 1233 C C . GLU A 161 ? 1.1453 1.2198 1.0718 -0.0350 0.0038 0.0378 156 GLU A C 1234 O O . GLU A 161 ? 1.1971 1.2785 1.1260 -0.0324 0.0092 0.0382 156 GLU A O 1235 C CB . GLU A 161 ? 1.0612 1.1135 0.9830 -0.0352 -0.0026 0.0315 156 GLU A CB 1236 C CG . GLU A 161 ? 1.1502 1.1923 1.0762 -0.0353 -0.0065 0.0302 156 GLU A CG 1237 C CD . GLU A 161 ? 1.2721 1.2999 1.1886 -0.0344 -0.0091 0.0230 156 GLU A CD 1238 O OE1 . GLU A 161 ? 1.1961 1.2141 1.1157 -0.0355 -0.0142 0.0219 156 GLU A OE1 1239 O OE2 . GLU A 161 ? 1.2887 1.3148 1.1943 -0.0326 -0.0062 0.0186 156 GLU A OE2 1240 N N . ASP A 162 ? 1.2127 1.2862 1.1335 -0.0376 0.0001 0.0379 157 ASP A N 1241 C CA . ASP A 162 ? 1.2538 1.3344 1.1711 -0.0373 0.0023 0.0389 157 ASP A CA 1242 C C . ASP A 162 ? 1.3095 1.3876 1.2199 -0.0330 0.0090 0.0350 157 ASP A C 1243 O O . ASP A 162 ? 1.2261 1.3118 1.1405 -0.0311 0.0138 0.0364 157 ASP A O 1244 C CB . ASP A 162 ? 1.2006 1.2783 1.1121 -0.0403 -0.0036 0.0390 157 ASP A CB 1245 C CG . ASP A 162 ? 1.3519 1.4397 1.2646 -0.0409 -0.0034 0.0422 157 ASP A CG 1246 O OD1 . ASP A 162 ? 1.3924 1.4837 1.3076 -0.0443 -0.0089 0.0449 157 ASP A OD1 1247 O OD2 . ASP A 162 ? 1.3720 1.4645 1.2842 -0.0379 0.0022 0.0422 157 ASP A OD2 1248 N N . HIS A 163 ? 1.1276 1.1952 1.0276 -0.0315 0.0093 0.0301 158 HIS A N 1249 C CA . HIS A 163 ? 1.1270 1.1921 1.0198 -0.0277 0.0162 0.0265 158 HIS A CA 1250 C C . HIS A 163 ? 1.1286 1.1868 1.0219 -0.0248 0.0193 0.0220 158 HIS A C 1251 O O . HIS A 163 ? 1.0190 1.0698 0.9025 -0.0223 0.0226 0.0170 158 HIS A O 1252 C CB . HIS A 163 ? 1.1947 1.2541 1.0735 -0.0279 0.0152 0.0244 158 HIS A CB 1253 C CG . HIS A 163 ? 1.2940 1.3591 1.1729 -0.0307 0.0105 0.0287 158 HIS A CG 1254 N ND1 . HIS A 163 ? 1.2032 1.2765 1.0847 -0.0301 0.0135 0.0321 158 HIS A ND1 1255 C CD2 . HIS A 163 ? 1.2548 1.3188 1.1327 -0.0341 0.0029 0.0300 158 HIS A CD2 1256 C CE1 . HIS A 163 ? 1.2260 1.3031 1.1081 -0.0324 0.0081 0.0352 158 HIS A CE1 1257 N NE2 . HIS A 163 ? 1.2906 1.3628 1.1708 -0.0351 0.0016 0.0341 158 HIS A NE2 1258 N N . GLY A 164 ? 1.1478 1.2087 1.0523 -0.0248 0.0183 0.0238 159 GLY A N 1259 C CA . GLY A 164 ? 1.1006 1.1550 1.0079 -0.0218 0.0200 0.0199 159 GLY A CA 1260 C C . GLY A 164 ? 1.1020 1.1605 1.0127 -0.0177 0.0280 0.0181 159 GLY A C 1261 O O . GLY A 164 ? 1.1257 1.1782 1.0351 -0.0142 0.0313 0.0131 159 GLY A O 1262 N N . PHE A 165 ? 1.0687 1.1376 0.9845 -0.0179 0.0311 0.0217 160 PHE A N 1263 C CA . PHE A 165 ? 1.0061 1.0797 0.9266 -0.0146 0.0383 0.0203 160 PHE A CA 1264 C C . PHE A 165 ? 1.0064 1.0815 0.9190 -0.0141 0.0437 0.0196 160 PHE A C 1265 O O . PHE A 165 ? 1.0073 1.0855 0.9162 -0.0165 0.0420 0.0227 160 PHE A O 1266 C CB . PHE A 165 ? 0.8994 0.9832 0.8326 -0.0150 0.0380 0.0245 160 PHE A CB 1267 C CG . PHE A 165 ? 0.9241 1.0131 0.8638 -0.0120 0.0445 0.0230 160 PHE A CG 1268 C CD1 . PHE A 165 ? 0.9030 0.9892 0.8480 -0.0085 0.0468 0.0197 160 PHE A CD1 1269 C CD2 . PHE A 165 ? 0.8780 0.9746 0.8196 -0.0125 0.0481 0.0248 160 PHE A CD2 1270 C CE1 . PHE A 165 ? 0.8646 0.9566 0.8172 -0.0059 0.0526 0.0184 160 PHE A CE1 1271 C CE2 . PHE A 165 ? 0.8590 0.9606 0.8078 -0.0102 0.0537 0.0235 160 PHE A CE2 1272 C CZ . PHE A 165 ? 0.8593 0.9591 0.8138 -0.0070 0.0560 0.0204 160 PHE A CZ 1273 N N . GLY A 166 ? 1.2202 1.2932 1.1307 -0.0110 0.0504 0.0158 161 GLY A N 1274 C CA . GLY A 166 ? 1.2437 1.3182 1.1474 -0.0105 0.0565 0.0156 161 GLY A CA 1275 C C . GLY A 166 ? 1.2817 1.3594 1.1920 -0.0073 0.0642 0.0131 161 GLY A C 1276 O O . GLY A 166 ? 1.3588 1.4341 1.2742 -0.0046 0.0648 0.0096 161 GLY A O 1277 N N . VAL A 167 ? 1.3853 1.4685 1.2969 -0.0075 0.0698 0.0149 162 VAL A N 1278 C CA . VAL A 167 ? 1.4411 1.5289 1.3606 -0.0050 0.0774 0.0131 162 VAL A CA 1279 C C . VAL A 167 ? 1.4157 1.4986 1.3233 -0.0034 0.0843 0.0098 162 VAL A C 1280 O O . VAL A 167 ? 1.3932 1.4784 1.3055 -0.0006 0.0912 0.0068 162 VAL A O 1281 C CB . VAL A 167 ? 1.4345 1.5313 1.3633 -0.0067 0.0797 0.0170 162 VAL A CB 1282 C CG1 . VAL A 167 ? 1.4423 1.5377 1.3611 -0.0091 0.0810 0.0200 162 VAL A CG1 1283 C CG2 . VAL A 167 ? 1.3678 1.4707 1.3079 -0.0045 0.0867 0.0153 162 VAL A CG2 1284 N N . PHE A 168 ? 1.6251 1.7014 1.5172 -0.0049 0.0821 0.0101 163 PHE A N 1285 C CA . PHE A 168 ? 1.5364 1.6080 1.4141 -0.0039 0.0883 0.0078 163 PHE A CA 1286 C C . PHE A 168 ? 1.6261 1.6899 1.4961 -0.0008 0.0887 0.0011 163 PHE A C 1287 O O . PHE A 168 ? 1.7097 1.7729 1.5753 0.0020 0.0965 -0.0027 163 PHE A O 1288 C CB . PHE A 168 ? 1.6191 1.6872 1.4832 -0.0069 0.0852 0.0116 163 PHE A CB 1289 C CG . PHE A 168 ? 1.6996 1.7743 1.5703 -0.0094 0.0860 0.0176 163 PHE A CG 1290 C CD1 . PHE A 168 ? 1.6874 1.7683 1.5660 -0.0090 0.0939 0.0189 163 PHE A CD1 1291 C CD2 . PHE A 168 ? 1.8101 1.8852 1.6805 -0.0120 0.0788 0.0216 163 PHE A CD2 1292 C CE1 . PHE A 168 ? 1.6637 1.7496 1.5488 -0.0114 0.0942 0.0240 163 PHE A CE1 1293 C CE2 . PHE A 168 ? 1.7717 1.8522 1.6485 -0.0138 0.0795 0.0264 163 PHE A CE2 1294 C CZ . PHE A 168 ? 1.6863 1.7717 1.5704 -0.0135 0.0870 0.0275 163 PHE A CZ 1295 N N . HIS A 169 ? 1.3782 1.4360 1.2467 -0.0013 0.0803 -0.0004 164 HIS A N 1296 C CA . HIS A 169 ? 1.3696 1.4197 1.2350 0.0019 0.0793 -0.0071 164 HIS A CA 1297 C C . HIS A 169 ? 1.2585 1.3108 1.1407 0.0027 0.0749 -0.0069 164 HIS A C 1298 O O . HIS A 169 ? 1.3136 1.3653 1.1994 -0.0001 0.0668 -0.0035 164 HIS A O 1299 C CB . HIS A 169 ? 1.4554 1.4952 1.3048 0.0004 0.0728 -0.0095 164 HIS A CB 1300 C CG . HIS A 169 ? 1.4372 1.4676 1.2823 0.0037 0.0715 -0.0173 164 HIS A CG 1301 N ND1 . HIS A 169 ? 1.3735 1.3943 1.2110 0.0021 0.0628 -0.0197 164 HIS A ND1 1302 C CD2 . HIS A 169 ? 1.3745 1.4034 1.2225 0.0085 0.0777 -0.0234 164 HIS A CD2 1303 C CE1 . HIS A 169 ? 1.4117 1.4245 1.2472 0.0059 0.0634 -0.0273 164 HIS A CE1 1304 N NE2 . HIS A 169 ? 1.3860 1.4038 1.2278 0.0101 0.0726 -0.0298 164 HIS A NE2 1305 N N . THR A 170 ? 1.3475 1.4026 1.2399 0.0067 0.0801 -0.0102 165 THR A N 1306 C CA . THR A 170 ? 1.3680 1.4262 1.2772 0.0078 0.0763 -0.0090 165 THR A CA 1307 C C . THR A 170 ? 1.3551 1.4032 1.2631 0.0086 0.0688 -0.0122 165 THR A C 1308 O O . THR A 170 ? 1.3090 1.3542 1.2246 0.0126 0.0694 -0.0163 165 THR A O 1309 C CB . THR A 170 ? 1.4418 1.5068 1.3638 0.0120 0.0837 -0.0114 165 THR A CB 1310 O OG1 . THR A 170 ? 1.5294 1.5879 1.4467 0.0168 0.0879 -0.0189 165 THR A OG1 1311 C CG2 . THR A 170 ? 1.3636 1.4380 1.2869 0.0108 0.0914 -0.0084 165 THR A CG2 1312 N N . SER A 171 ? 1.4942 1.5368 1.3934 0.0047 0.0616 -0.0102 166 SER A N 1313 C CA . SER A 171 ? 1.3405 1.3752 1.2420 0.0036 0.0528 -0.0106 166 SER A CA 1314 C C . SER A 171 ? 1.3654 1.4071 1.2764 -0.0006 0.0469 -0.0029 166 SER A C 1315 O O . SER A 171 ? 1.4009 1.4502 1.3107 -0.0033 0.0480 0.0017 166 SER A O 1316 C CB . SER A 171 ? 1.4068 1.4306 1.2925 0.0020 0.0483 -0.0143 166 SER A CB 1317 O OG . SER A 171 ? 1.5870 1.6022 1.4652 0.0064 0.0520 -0.0227 166 SER A OG 1318 N N . VAL A 172 ? 1.0222 1.0612 0.9425 -0.0009 0.0408 -0.0013 167 VAL A N 1319 C CA . VAL A 172 ? 0.9173 0.9626 0.8456 -0.0050 0.0350 0.0060 167 VAL A CA 1320 C C . VAL A 172 ? 0.9676 1.0040 0.8955 -0.0078 0.0263 0.0070 167 VAL A C 1321 O O . VAL A 172 ? 1.0165 1.0464 0.9506 -0.0058 0.0236 0.0053 167 VAL A O 1322 C CB . VAL A 172 ? 0.8130 0.8668 0.7560 -0.0032 0.0366 0.0092 167 VAL A CB 1323 C CG1 . VAL A 172 ? 0.8502 0.9105 0.7994 -0.0074 0.0308 0.0166 167 VAL A CG1 1324 C CG2 . VAL A 172 ? 0.9313 0.9939 0.8763 -0.0009 0.0448 0.0083 167 VAL A CG2 1325 N N . TRP A 173 ? 0.9084 0.9447 0.8298 -0.0126 0.0217 0.0099 168 TRP A N 1326 C CA . TRP A 173 ? 0.8980 0.9261 0.8190 -0.0161 0.0134 0.0110 168 TRP A CA 1327 C C . TRP A 173 ? 0.8869 0.9225 0.8185 -0.0201 0.0086 0.0191 168 TRP A C 1328 O O . TRP A 173 ? 0.7868 0.8329 0.7194 -0.0227 0.0093 0.0240 168 TRP A O 1329 C CB . TRP A 173 ? 0.9434 0.9668 0.8516 -0.0190 0.0105 0.0089 168 TRP A CB 1330 C CG . TRP A 173 ? 1.0073 1.0226 0.9032 -0.0152 0.0147 0.0008 168 TRP A CG 1331 C CD1 . TRP A 173 ? 0.9776 0.9972 0.8668 -0.0123 0.0226 -0.0015 168 TRP A CD1 1332 C CD2 . TRP A 173 ? 0.9763 0.9776 0.8647 -0.0140 0.0114 -0.0063 168 TRP A CD2 1333 N NE1 . TRP A 173 ? 1.0088 1.0188 0.8861 -0.0093 0.0250 -0.0092 168 TRP A NE1 1334 C CE2 . TRP A 173 ? 1.0001 0.9987 0.8764 -0.0100 0.0181 -0.0128 168 TRP A CE2 1335 C CE3 . TRP A 173 ? 0.9276 0.9183 0.8183 -0.0160 0.0034 -0.0077 168 TRP A CE3 1336 C CZ2 . TRP A 173 ? 0.9908 0.9767 0.8564 -0.0076 0.0172 -0.0213 168 TRP A CZ2 1337 C CZ3 . TRP A 173 ? 1.0107 0.9879 0.8917 -0.0137 0.0019 -0.0164 168 TRP A CZ3 1338 C CH2 . TRP A 173 ? 1.0239 0.9990 0.8920 -0.0093 0.0089 -0.0234 168 TRP A CH2 1339 N N . LEU A 174 ? 0.8779 0.9079 0.8173 -0.0204 0.0039 0.0207 169 LEU A N 1340 C CA . LEU A 174 ? 0.8251 0.8621 0.7743 -0.0240 -0.0001 0.0289 169 LEU A CA 1341 C C . LEU A 174 ? 0.8855 0.9143 0.8363 -0.0287 -0.0084 0.0318 169 LEU A C 1342 O O . LEU A 174 ? 0.8843 0.9004 0.8306 -0.0284 -0.0115 0.0266 169 LEU A O 1343 C CB . LEU A 174 ? 0.7436 0.7838 0.7029 -0.0203 0.0018 0.0306 169 LEU A CB 1344 C CG . LEU A 174 ? 0.7350 0.7821 0.6953 -0.0153 0.0096 0.0272 169 LEU A CG 1345 C CD1 . LEU A 174 ? 0.8171 0.8547 0.7772 -0.0097 0.0125 0.0198 169 LEU A CD1 1346 C CD2 . LEU A 174 ? 0.6388 0.6971 0.6089 -0.0149 0.0103 0.0329 169 LEU A CD2 1347 N N . LYS A 175 ? 0.9276 0.9642 0.8850 -0.0332 -0.0118 0.0400 170 LYS A N 1348 C CA . LYS A 175 ? 0.9721 1.0029 0.9333 -0.0386 -0.0194 0.0444 170 LYS A CA 1349 C C . LYS A 175 ? 0.9748 1.0116 0.9462 -0.0403 -0.0214 0.0529 170 LYS A C 1350 O O . LYS A 175 ? 0.8888 0.9373 0.8629 -0.0386 -0.0172 0.0558 170 LYS A O 1351 C CB . LYS A 175 ? 1.0039 1.0395 0.9611 -0.0441 -0.0221 0.0467 170 LYS A CB 1352 C CG . LYS A 175 ? 1.0947 1.1472 1.0545 -0.0461 -0.0191 0.0529 170 LYS A CG 1353 C CD . LYS A 175 ? 1.1782 1.2358 1.1347 -0.0506 -0.0214 0.0543 170 LYS A CD 1354 C CE . LYS A 175 ? 1.2984 1.3515 1.2597 -0.0569 -0.0290 0.0586 170 LYS A CE 1355 N NZ . LYS A 175 ? 1.2813 1.3413 1.2413 -0.0613 -0.0314 0.0603 170 LYS A NZ 1356 N N . VAL A 176 ? 0.9539 0.9824 0.9306 -0.0438 -0.0279 0.0568 171 VAL A N 1357 C CA . VAL A 176 ? 0.9579 0.9919 0.9432 -0.0464 -0.0304 0.0662 171 VAL A CA 1358 C C . VAL A 176 ? 0.9366 0.9840 0.9227 -0.0526 -0.0309 0.0736 171 VAL A C 1359 O O . VAL A 176 ? 1.0122 1.0580 0.9964 -0.0573 -0.0341 0.0738 171 VAL A O 1360 C CB . VAL A 176 ? 1.0107 1.0304 1.0020 -0.0481 -0.0374 0.0687 171 VAL A CB 1361 C CG1 . VAL A 176 ? 0.9839 1.0101 0.9829 -0.0521 -0.0403 0.0800 171 VAL A CG1 1362 C CG2 . VAL A 176 ? 0.9267 0.9346 0.9190 -0.0411 -0.0365 0.0615 171 VAL A CG2 1363 N N . ARG A 177 ? 0.9320 0.9928 0.9210 -0.0524 -0.0279 0.0794 172 ARG A N 1364 C CA . ARG A 177 ? 0.9676 1.0430 0.9574 -0.0573 -0.0272 0.0860 172 ARG A CA 1365 C C . ARG A 177 ? 1.1734 1.2470 1.1680 -0.0647 -0.0331 0.0934 172 ARG A C 1366 O O . ARG A 177 ? 1.1474 1.2099 1.1464 -0.0663 -0.0381 0.0963 172 ARG A O 1367 C CB . ARG A 177 ? 1.0353 1.1237 1.0275 -0.0555 -0.0237 0.0908 172 ARG A CB 1368 C CG . ARG A 177 ? 0.9533 1.0499 0.9414 -0.0504 -0.0173 0.0851 172 ARG A CG 1369 C CD . ARG A 177 ? 0.8977 1.0070 0.8881 -0.0494 -0.0150 0.0899 172 ARG A CD 1370 N NE . ARG A 177 ? 0.9354 1.0553 0.9224 -0.0465 -0.0094 0.0857 172 ARG A NE 1371 C CZ . ARG A 177 ? 0.9481 1.0789 0.9332 -0.0489 -0.0074 0.0870 172 ARG A CZ 1372 N NH1 . ARG A 177 ? 0.9230 1.0570 0.9098 -0.0543 -0.0102 0.0926 172 ARG A NH1 1373 N NH2 . ARG A 177 ? 0.9757 1.1146 0.9584 -0.0458 -0.0027 0.0829 172 ARG A NH2 1374 N N . GLU A 178 ? 1.2910 1.3757 1.2856 -0.0691 -0.0325 0.0966 173 GLU A N 1375 C CA . GLU A 178 ? 1.2556 1.3424 1.2562 -0.0768 -0.0371 0.1047 173 GLU A CA 1376 C C . GLU A 178 ? 1.1988 1.2987 1.2033 -0.0788 -0.0353 0.1143 173 GLU A C 1377 O O . GLU A 178 ? 1.2391 1.3374 1.2491 -0.0841 -0.0392 0.1227 173 GLU A O 1378 C CB . GLU A 178 ? 1.3156 1.4089 1.3156 -0.0806 -0.0376 0.1036 173 GLU A CB 1379 C CG . GLU A 178 ? 1.4732 1.5836 1.4706 -0.0785 -0.0315 0.1028 173 GLU A CG 1380 C CD . GLU A 178 ? 1.4433 1.5505 1.4330 -0.0724 -0.0279 0.0931 173 GLU A CD 1381 O OE1 . GLU A 178 ? 1.2308 1.3338 1.2172 -0.0669 -0.0249 0.0892 173 GLU A OE1 1382 O OE2 . GLU A 178 ? 1.4928 1.6022 1.4801 -0.0732 -0.0283 0.0899 173 GLU A OE2 1383 N N . ASP A 179 ? 1.2671 1.3794 1.2683 -0.0747 -0.0294 0.1130 174 ASP A N 1384 C CA . ASP A 179 ? 1.2668 1.3927 1.2697 -0.0760 -0.0272 0.1209 174 ASP A CA 1385 C C . ASP A 179 ? 1.2174 1.3443 1.2176 -0.0697 -0.0243 0.1186 174 ASP A C 1386 O O . ASP A 179 ? 1.2338 1.3575 1.2305 -0.0641 -0.0215 0.1103 174 ASP A O 1387 C CB . ASP A 179 ? 1.2744 1.4180 1.2767 -0.0780 -0.0229 0.1223 174 ASP A CB 1388 C CG . ASP A 179 ? 1.4099 1.5580 1.4178 -0.0856 -0.0257 0.1291 174 ASP A CG 1389 O OD1 . ASP A 179 ? 1.3282 1.4644 1.3388 -0.0888 -0.0307 0.1281 174 ASP A OD1 1390 O OD2 . ASP A 179 ? 1.5113 1.6751 1.5211 -0.0886 -0.0229 0.1354 174 ASP A OD2 1391 N N . TYR A 180 ? 1.1557 1.2875 1.1576 -0.0710 -0.0253 0.1265 175 TYR A N 1392 C CA . TYR A 180 ? 1.1344 1.2696 1.1343 -0.0656 -0.0232 0.1254 175 TYR A CA 1393 C C . TYR A 180 ? 0.9900 1.1412 0.9857 -0.0633 -0.0173 0.1224 175 TYR A C 1394 O O . TYR A 180 ? 1.0274 1.1907 1.0226 -0.0670 -0.0153 0.1260 175 TYR A O 1395 C CB . TYR A 180 ? 1.1074 1.2430 1.1096 -0.0679 -0.0268 0.1354 175 TYR A CB 1396 C CG . TYR A 180 ? 1.1774 1.3171 1.1778 -0.0626 -0.0258 0.1349 175 TYR A CG 1397 C CD1 . TYR A 180 ? 1.2213 1.3492 1.2242 -0.0574 -0.0281 0.1307 175 TYR A CD1 1398 C CD2 . TYR A 180 ? 1.0701 1.2258 1.0665 -0.0627 -0.0228 0.1383 175 TYR A CD2 1399 C CE1 . TYR A 180 ? 1.0576 1.1900 1.0602 -0.0527 -0.0278 0.1303 175 TYR A CE1 1400 C CE2 . TYR A 180 ? 1.0404 1.1998 1.0352 -0.0581 -0.0227 0.1376 175 TYR A CE2 1401 C CZ . TYR A 180 ? 0.9867 1.1345 0.9851 -0.0533 -0.0254 0.1338 175 TYR A CZ 1402 O OH . TYR A 180 ? 1.0249 1.1770 1.0229 -0.0488 -0.0258 0.1331 175 TYR A OH 1403 N N . SER A 181 ? 0.8176 0.9691 0.8112 -0.0573 -0.0146 0.1156 176 SER A N 1404 C CA . SER A 181 ? 0.8662 1.0316 0.8563 -0.0548 -0.0095 0.1124 176 SER A CA 1405 C C . SER A 181 ? 0.8440 1.0098 0.8336 -0.0492 -0.0084 0.1084 176 SER A C 1406 O O . SER A 181 ? 0.8426 0.9979 0.8349 -0.0465 -0.0108 0.1069 176 SER A O 1407 C CB . SER A 181 ? 0.7752 0.9419 0.7637 -0.0541 -0.0062 0.1056 176 SER A CB 1408 O OG . SER A 181 ? 0.6632 0.8209 0.6507 -0.0494 -0.0049 0.0975 176 SER A OG 1409 N N . LEU A 182 ? 0.8247 1.0030 0.8115 -0.0473 -0.0047 0.1062 177 LEU A N 1410 C CA . LEU A 182 ? 0.6801 0.8610 0.6668 -0.0426 -0.0039 0.1026 177 LEU A CA 1411 C C . LEU A 182 ? 0.7214 0.9016 0.7078 -0.0387 0.0003 0.0932 177 LEU A C 1412 O O . LEU A 182 ? 0.7586 0.9403 0.7463 -0.0348 0.0013 0.0891 177 LEU A O 1413 C CB . LEU A 182 ? 0.7417 0.9367 0.7250 -0.0432 -0.0033 0.1066 177 LEU A CB 1414 C CG . LEU A 182 ? 0.7346 0.9311 0.7174 -0.0451 -0.0076 0.1155 177 LEU A CG 1415 C CD1 . LEU A 182 ? 0.7914 0.9780 0.7772 -0.0492 -0.0115 0.1224 177 LEU A CD1 1416 C CD2 . LEU A 182 ? 0.6041 0.8162 0.5814 -0.0471 -0.0059 0.1197 177 LEU A CD2 1417 N N . GLU A 183 ? 0.8025 0.9806 0.7877 -0.0400 0.0024 0.0903 178 GLU A N 1418 C CA . GLU A 183 ? 0.7503 0.9286 0.7343 -0.0370 0.0064 0.0826 178 GLU A CA 1419 C C . GLU A 183 ? 0.7825 0.9490 0.7682 -0.0337 0.0069 0.0773 178 GLU A C 1420 O O . GLU A 183 ? 0.7904 0.9462 0.7768 -0.0345 0.0046 0.0780 178 GLU A O 1421 C CB . GLU A 183 ? 0.8125 0.9930 0.7944 -0.0394 0.0079 0.0820 178 GLU A CB 1422 C CG . GLU A 183 ? 0.9360 1.1152 0.9162 -0.0366 0.0116 0.0749 178 GLU A CG 1423 C CD . GLU A 183 ? 0.9635 1.1452 0.9421 -0.0388 0.0122 0.0748 178 GLU A CD 1424 O OE1 . GLU A 183 ? 0.9395 1.1154 0.9161 -0.0373 0.0137 0.0702 178 GLU A OE1 1425 O OE2 . GLU A 183 ? 1.0099 1.1998 0.9893 -0.0419 0.0113 0.0795 178 GLU A OE2 1426 N N . CYS A 184 ? 0.7952 0.9638 0.7817 -0.0301 0.0101 0.0718 179 CYS A N 1427 C CA . CYS A 184 ? 0.7400 0.8995 0.7280 -0.0269 0.0121 0.0663 179 CYS A CA 1428 C C . CYS A 184 ? 0.7356 0.8887 0.7193 -0.0279 0.0138 0.0634 179 CYS A C 1429 O O . CYS A 184 ? 0.7135 0.8721 0.6943 -0.0295 0.0151 0.0634 179 CYS A O 1430 C CB . CYS A 184 ? 0.7861 0.9508 0.7767 -0.0236 0.0154 0.0617 179 CYS A CB 1431 S SG . CYS A 184 ? 0.7952 0.9677 0.7907 -0.0221 0.0127 0.0640 179 CYS A SG 1432 N N . ASP A 185 ? 0.6763 0.8182 0.6596 -0.0268 0.0137 0.0608 180 ASP A N 1433 C CA . ASP A 185 ? 0.6847 0.8196 0.6626 -0.0276 0.0148 0.0578 180 ASP A CA 1434 C C . ASP A 185 ? 0.7306 0.8700 0.7058 -0.0262 0.0193 0.0541 180 ASP A C 1435 O O . ASP A 185 ? 0.7878 0.9268 0.7644 -0.0232 0.0229 0.0503 180 ASP A O 1436 C CB . ASP A 185 ? 0.6706 0.7931 0.6480 -0.0254 0.0148 0.0542 180 ASP A CB 1437 C CG . ASP A 185 ? 0.8057 0.9195 0.7765 -0.0272 0.0137 0.0523 180 ASP A CG 1438 O OD1 . ASP A 185 ? 0.8028 0.9204 0.7694 -0.0290 0.0144 0.0523 180 ASP A OD1 1439 O OD2 . ASP A 185 ? 0.8371 0.9404 0.8073 -0.0266 0.0116 0.0505 180 ASP A OD2 1440 N N . PRO A 186 ? 0.7511 0.8947 0.7230 -0.0286 0.0189 0.0554 181 PRO A N 1441 C CA . PRO A 186 ? 0.6771 0.8251 0.6469 -0.0274 0.0224 0.0527 181 PRO A CA 1442 C C . PRO A 186 ? 0.7079 0.8471 0.6724 -0.0261 0.0249 0.0486 181 PRO A C 1443 O O . PRO A 186 ? 0.7733 0.9144 0.7359 -0.0250 0.0279 0.0466 181 PRO A O 1444 C CB . PRO A 186 ? 0.5947 0.7497 0.5637 -0.0303 0.0204 0.0559 181 PRO A CB 1445 C CG . PRO A 186 ? 0.6483 0.7981 0.6166 -0.0333 0.0162 0.0590 181 PRO A CG 1446 C CD . PRO A 186 ? 0.7035 0.8483 0.6746 -0.0325 0.0149 0.0598 181 PRO A CD 1447 N N . ALA A 187 ? 0.6619 0.7913 0.6236 -0.0261 0.0237 0.0474 182 ALA A N 1448 C CA . ALA A 187 ? 0.6915 0.8123 0.6465 -0.0247 0.0261 0.0434 182 ALA A CA 1449 C C . ALA A 187 ? 0.7703 0.8916 0.7266 -0.0215 0.0318 0.0400 182 ALA A C 1450 O O . ALA A 187 ? 0.8508 0.9708 0.8023 -0.0209 0.0350 0.0382 182 ALA A O 1451 C CB . ALA A 187 ? 0.7702 0.8803 0.7221 -0.0249 0.0235 0.0419 182 ALA A CB 1452 N N . VAL A 188 ? 0.7242 0.8476 0.6875 -0.0197 0.0328 0.0396 183 VAL A N 1453 C CA . VAL A 188 ? 0.6220 0.7463 0.5886 -0.0168 0.0380 0.0365 183 VAL A CA 1454 C C . VAL A 188 ? 0.7087 0.8429 0.6813 -0.0167 0.0395 0.0373 183 VAL A C 1455 O O . VAL A 188 ? 0.7437 0.8804 0.7218 -0.0148 0.0429 0.0353 183 VAL A O 1456 C CB . VAL A 188 ? 0.8356 0.9566 0.8079 -0.0143 0.0382 0.0349 183 VAL A CB 1457 C CG1 . VAL A 188 ? 0.7687 0.8787 0.7349 -0.0137 0.0376 0.0325 183 VAL A CG1 1458 C CG2 . VAL A 188 ? 0.7685 0.8945 0.7476 -0.0150 0.0334 0.0386 183 VAL A CG2 1459 N N . ILE A 189 ? 0.7552 0.8952 0.7270 -0.0187 0.0368 0.0399 184 ILE A N 1460 C CA . ILE A 189 ? 0.6490 0.7979 0.6257 -0.0185 0.0377 0.0400 184 ILE A CA 1461 C C . ILE A 189 ? 0.6516 0.8004 0.6252 -0.0185 0.0407 0.0385 184 ILE A C 1462 O O . ILE A 189 ? 0.7097 0.8560 0.6773 -0.0197 0.0397 0.0395 184 ILE A O 1463 C CB . ILE A 189 ? 0.5942 0.7509 0.5723 -0.0202 0.0336 0.0433 184 ILE A CB 1464 C CG1 . ILE A 189 ? 0.6309 0.7880 0.6125 -0.0203 0.0304 0.0457 184 ILE A CG1 1465 C CG2 . ILE A 189 ? 0.5550 0.7203 0.5366 -0.0196 0.0346 0.0422 184 ILE A CG2 1466 C CD1 . ILE A 189 ? 0.6862 0.8515 0.6685 -0.0221 0.0270 0.0496 184 ILE A CD1 1467 N N . GLY A 190 ? 0.6120 0.7634 0.5904 -0.0173 0.0440 0.0364 185 GLY A N 1468 C CA . GLY A 190 ? 0.5310 0.6823 0.5080 -0.0175 0.0466 0.0355 185 GLY A CA 1469 C C . GLY A 190 ? 0.6189 0.7779 0.6027 -0.0172 0.0462 0.0344 185 GLY A C 1470 O O . GLY A 190 ? 0.6345 0.7971 0.6253 -0.0164 0.0467 0.0330 185 GLY A O 1471 N N . THR A 191 ? 0.6698 0.8316 0.6521 -0.0175 0.0449 0.0347 186 THR A N 1472 C CA . THR A 191 ? 0.5142 0.6830 0.5021 -0.0170 0.0442 0.0329 186 THR A CA 1473 C C . THR A 191 ? 0.5828 0.7490 0.5699 -0.0168 0.0457 0.0320 186 THR A C 1474 O O . THR A 191 ? 0.6289 0.7913 0.6102 -0.0170 0.0454 0.0337 186 THR A O 1475 C CB . THR A 191 ? 0.5259 0.7024 0.5134 -0.0172 0.0405 0.0339 186 THR A CB 1476 O OG1 . THR A 191 ? 0.5837 0.7620 0.5722 -0.0175 0.0387 0.0356 186 THR A OG1 1477 C CG2 . THR A 191 ? 0.5023 0.6859 0.4944 -0.0162 0.0398 0.0311 186 THR A CG2 1478 N N . ALA A 192 ? 0.5333 0.7014 0.5265 -0.0163 0.0468 0.0294 187 ALA A N 1479 C CA . ALA A 192 ? 0.4623 0.6268 0.4557 -0.0161 0.0480 0.0287 187 ALA A CA 1480 C C . ALA A 192 ? 0.5016 0.6696 0.5025 -0.0156 0.0476 0.0252 187 ALA A C 1481 O O . ALA A 192 ? 0.6279 0.7998 0.6346 -0.0158 0.0473 0.0231 187 ALA A O 1482 C CB . ALA A 192 ? 0.5385 0.6946 0.5291 -0.0170 0.0519 0.0304 187 ALA A CB 1483 N N . VAL A 193 ? 0.6122 0.7785 0.6134 -0.0148 0.0469 0.0243 188 VAL A N 1484 C CA . VAL A 193 ? 0.6408 0.8079 0.6491 -0.0144 0.0464 0.0206 188 VAL A CA 1485 C C . VAL A 193 ? 0.7289 0.8876 0.7378 -0.0147 0.0481 0.0218 188 VAL A C 1486 O O . VAL A 193 ? 0.6878 0.8423 0.6909 -0.0141 0.0480 0.0246 188 VAL A O 1487 C CB . VAL A 193 ? 0.6828 0.8570 0.6921 -0.0123 0.0432 0.0171 188 VAL A CB 1488 C CG1 . VAL A 193 ? 0.6695 0.8446 0.6863 -0.0118 0.0421 0.0121 188 VAL A CG1 1489 C CG2 . VAL A 193 ? 0.7700 0.9524 0.7766 -0.0121 0.0415 0.0174 188 VAL A CG2 1490 N N . LYS A 194 ? 0.6373 0.7936 0.6536 -0.0158 0.0492 0.0198 189 LYS A N 1491 C CA . LYS A 194 ? 0.5861 0.7349 0.6046 -0.0160 0.0497 0.0205 189 LYS A CA 1492 C C . LYS A 194 ? 0.6371 0.7868 0.6655 -0.0163 0.0482 0.0157 189 LYS A C 1493 O O . LYS A 194 ? 0.7515 0.9042 0.7862 -0.0180 0.0490 0.0139 189 LYS A O 1494 C CB . LYS A 194 ? 0.6233 0.7642 0.6390 -0.0183 0.0539 0.0254 189 LYS A CB 1495 C CG . LYS A 194 ? 0.7527 0.8849 0.7684 -0.0185 0.0541 0.0278 189 LYS A CG 1496 C CD . LYS A 194 ? 0.8084 0.9335 0.8163 -0.0201 0.0577 0.0337 189 LYS A CD 1497 C CE . LYS A 194 ? 0.8139 0.9383 0.8253 -0.0231 0.0628 0.0351 189 LYS A CE 1498 N NZ . LYS A 194 ? 0.8275 0.9454 0.8297 -0.0244 0.0669 0.0406 189 LYS A NZ 1499 N N . GLY A 195 ? 0.7859 0.9331 0.8163 -0.0144 0.0458 0.0133 190 GLY A N 1500 C CA . GLY A 195 ? 0.8221 0.9691 0.8615 -0.0143 0.0436 0.0079 190 GLY A CA 1501 C C . GLY A 195 ? 0.8610 1.0175 0.9032 -0.0139 0.0413 0.0026 190 GLY A C 1502 O O . GLY A 195 ? 0.8264 0.9898 0.8645 -0.0112 0.0391 -0.0001 190 GLY A O 1503 N N . LYS A 196 ? 0.7968 0.9542 0.8460 -0.0165 0.0419 0.0015 191 LYS A N 1504 C CA . LYS A 196 ? 0.7339 0.8999 0.7865 -0.0163 0.0390 -0.0035 191 LYS A CA 1505 C C . LYS A 196 ? 0.8196 0.9907 0.8715 -0.0178 0.0406 -0.0006 191 LYS A C 1506 O O . LYS A 196 ? 0.8280 1.0055 0.8843 -0.0182 0.0382 -0.0038 191 LYS A O 1507 C CB . LYS A 196 ? 0.8565 1.0204 0.9198 -0.0179 0.0367 -0.0086 191 LYS A CB 1508 C CG . LYS A 196 ? 0.9164 1.0734 0.9817 -0.0163 0.0348 -0.0119 191 LYS A CG 1509 C CD . LYS A 196 ? 1.1764 1.3319 1.2521 -0.0177 0.0313 -0.0183 191 LYS A CD 1510 C CE . LYS A 196 ? 1.3812 1.5291 1.4593 -0.0156 0.0291 -0.0222 191 LYS A CE 1511 N NZ . LYS A 196 ? 1.3371 1.4842 1.4243 -0.0163 0.0246 -0.0302 191 LYS A NZ 1512 N N . GLU A 197 ? 0.7455 0.9138 0.7921 -0.0184 0.0443 0.0052 192 GLU A N 1513 C CA . GLU A 197 ? 0.7461 0.9184 0.7923 -0.0193 0.0459 0.0076 192 GLU A CA 1514 C C . GLU A 197 ? 0.7664 0.9396 0.8022 -0.0178 0.0466 0.0113 192 GLU A C 1515 O O . GLU A 197 ? 0.7541 0.9220 0.7835 -0.0174 0.0481 0.0141 192 GLU A O 1516 C CB . GLU A 197 ? 0.7488 0.9166 0.8009 -0.0220 0.0504 0.0105 192 GLU A CB 1517 C CG . GLU A 197 ? 0.7827 0.9516 0.8475 -0.0242 0.0496 0.0073 192 GLU A CG 1518 C CD . GLU A 197 ? 1.0720 1.2498 1.1430 -0.0241 0.0465 0.0042 192 GLU A CD 1519 O OE1 . GLU A 197 ? 1.0869 1.2692 1.1527 -0.0225 0.0461 0.0057 192 GLU A OE1 1520 O OE2 . GLU A 197 ? 1.0106 1.1906 1.0919 -0.0257 0.0441 0.0005 192 GLU A OE2 1521 N N . ALA A 198 ? 0.7573 0.9369 0.7918 -0.0173 0.0450 0.0114 193 ALA A N 1522 C CA . ALA A 198 ? 0.5486 0.7292 0.5743 -0.0163 0.0449 0.0147 193 ALA A CA 1523 C C . ALA A 198 ? 0.6147 0.7978 0.6414 -0.0166 0.0453 0.0166 193 ALA A C 1524 O O . ALA A 198 ? 0.7002 0.8869 0.7345 -0.0170 0.0445 0.0148 193 ALA A O 1525 C CB . ALA A 198 ? 0.5505 0.7372 0.5717 -0.0146 0.0414 0.0130 193 ALA A CB 1526 N N . VAL A 199 ? 0.5103 0.6913 0.5299 -0.0163 0.0461 0.0201 194 VAL A N 1527 C CA . VAL A 199 ? 0.5151 0.6970 0.5353 -0.0162 0.0462 0.0219 194 VAL A CA 1528 C C . VAL A 199 ? 0.5271 0.7091 0.5390 -0.0158 0.0443 0.0249 194 VAL A C 1529 O O . VAL A 199 ? 0.5819 0.7603 0.5872 -0.0160 0.0449 0.0265 194 VAL A O 1530 C CB . VAL A 199 ? 0.6610 0.8369 0.6832 -0.0168 0.0511 0.0229 194 VAL A CB 1531 C CG1 . VAL A 199 ? 0.5501 0.7185 0.5638 -0.0172 0.0538 0.0252 194 VAL A CG1 1532 C CG2 . VAL A 199 ? 0.6092 0.7862 0.6335 -0.0159 0.0512 0.0239 194 VAL A CG2 1533 N N . HIS A 200 ? 0.5585 0.7449 0.5718 -0.0153 0.0416 0.0258 195 HIS A N 1534 C CA . HIS A 200 ? 0.5881 0.7734 0.5953 -0.0154 0.0399 0.0293 195 HIS A CA 1535 C C . HIS A 200 ? 0.6371 0.8187 0.6474 -0.0149 0.0410 0.0302 195 HIS A C 1536 O O . HIS A 200 ? 0.6902 0.8753 0.7078 -0.0141 0.0401 0.0290 195 HIS A O 1537 C CB . HIS A 200 ? 0.5944 0.7875 0.6001 -0.0154 0.0356 0.0304 195 HIS A CB 1538 C CG . HIS A 200 ? 0.5795 0.7772 0.5820 -0.0155 0.0348 0.0291 195 HIS A CG 1539 N ND1 . HIS A 200 ? 0.6080 0.8077 0.6141 -0.0148 0.0354 0.0249 195 HIS A ND1 1540 C CD2 . HIS A 200 ? 0.6272 0.8283 0.6242 -0.0159 0.0336 0.0312 195 HIS A CD2 1541 C CE1 . HIS A 200 ? 0.5881 0.7919 0.5906 -0.0144 0.0347 0.0241 195 HIS A CE1 1542 N NE2 . HIS A 200 ? 0.5946 0.7999 0.5919 -0.0150 0.0338 0.0280 195 HIS A NE2 1543 N N . SER A 201 ? 0.6103 0.7849 0.6153 -0.0150 0.0426 0.0319 196 SER A N 1544 C CA . SER A 201 ? 0.6654 0.8356 0.6733 -0.0139 0.0445 0.0317 196 SER A CA 1545 C C . SER A 201 ? 0.6484 0.8121 0.6500 -0.0139 0.0435 0.0337 196 SER A C 1546 O O . SER A 201 ? 0.6776 0.8391 0.6719 -0.0152 0.0421 0.0355 196 SER A O 1547 C CB . SER A 201 ? 0.6248 0.7915 0.6350 -0.0137 0.0500 0.0295 196 SER A CB 1548 O OG . SER A 201 ? 0.6394 0.8000 0.6408 -0.0146 0.0522 0.0302 196 SER A OG 1549 N N . ASP A 202 ? 0.5441 0.7050 0.5496 -0.0123 0.0441 0.0333 197 ASP A N 1550 C CA . ASP A 202 ? 0.5961 0.7490 0.5964 -0.0119 0.0438 0.0339 197 ASP A CA 1551 C C . ASP A 202 ? 0.6834 0.8335 0.6897 -0.0092 0.0470 0.0314 197 ASP A C 1552 O O . ASP A 202 ? 0.7461 0.9001 0.7591 -0.0083 0.0506 0.0293 197 ASP A O 1553 C CB . ASP A 202 ? 0.5317 0.6848 0.5302 -0.0128 0.0381 0.0375 197 ASP A CB 1554 C CG . ASP A 202 ? 0.6524 0.8102 0.6591 -0.0115 0.0349 0.0387 197 ASP A CG 1555 O OD1 . ASP A 202 ? 0.7512 0.9062 0.7575 -0.0116 0.0309 0.0416 197 ASP A OD1 1556 O OD2 . ASP A 202 ? 0.7662 0.9301 0.7799 -0.0104 0.0360 0.0370 197 ASP A OD2 1557 N N . LEU A 203 ? 0.6373 0.7810 0.6420 -0.0078 0.0457 0.0314 198 LEU A N 1558 C CA . LEU A 203 ? 0.6722 0.8131 0.6827 -0.0046 0.0491 0.0283 198 LEU A CA 1559 C C . LEU A 203 ? 0.7508 0.8980 0.7736 -0.0026 0.0466 0.0288 198 LEU A C 1560 O O . LEU A 203 ? 0.8621 1.0085 0.8922 0.0005 0.0489 0.0264 198 LEU A O 1561 C CB . LEU A 203 ? 0.6968 0.8276 0.7012 -0.0035 0.0484 0.0273 198 LEU A CB 1562 C CG . LEU A 203 ? 0.8437 0.9679 0.8355 -0.0053 0.0504 0.0264 198 LEU A CG 1563 C CD1 . LEU A 203 ? 0.9286 1.0423 0.9148 -0.0037 0.0499 0.0240 198 LEU A CD1 1564 C CD2 . LEU A 203 ? 0.7967 0.9229 0.7868 -0.0052 0.0572 0.0243 198 LEU A CD2 1565 N N . GLY A 204 ? 0.5662 0.7200 0.5911 -0.0042 0.0418 0.0318 199 GLY A N 1566 C CA . GLY A 204 ? 0.5790 0.7392 0.6145 -0.0025 0.0383 0.0328 199 GLY A CA 1567 C C . GLY A 204 ? 0.6498 0.8197 0.6900 -0.0038 0.0379 0.0324 199 GLY A C 1568 O O . GLY A 204 ? 0.5987 0.7745 0.6495 -0.0022 0.0373 0.0312 199 GLY A O 1569 N N . TYR A 205 ? 0.5499 0.7215 0.5827 -0.0066 0.0377 0.0332 200 TYR A N 1570 C CA . TYR A 205 ? 0.5255 0.7055 0.5616 -0.0078 0.0366 0.0323 200 TYR A CA 1571 C C . TYR A 205 ? 0.6181 0.7976 0.6534 -0.0090 0.0419 0.0295 200 TYR A C 1572 O O . TYR A 205 ? 0.6850 0.8585 0.7126 -0.0098 0.0450 0.0295 200 TYR A O 1573 C CB . TYR A 205 ? 0.6142 0.7978 0.6434 -0.0096 0.0319 0.0353 200 TYR A CB 1574 C CG . TYR A 205 ? 0.6616 0.8476 0.6918 -0.0091 0.0260 0.0390 200 TYR A CG 1575 C CD1 . TYR A 205 ? 0.5960 0.7800 0.6335 -0.0066 0.0245 0.0396 200 TYR A CD1 1576 C CD2 . TYR A 205 ? 0.6759 0.8664 0.6999 -0.0108 0.0222 0.0422 200 TYR A CD2 1577 C CE1 . TYR A 205 ? 0.6736 0.8591 0.7120 -0.0062 0.0186 0.0438 200 TYR A CE1 1578 C CE2 . TYR A 205 ? 0.6332 0.8257 0.6571 -0.0107 0.0169 0.0466 200 TYR A CE2 1579 C CZ . TYR A 205 ? 0.7090 0.8985 0.7400 -0.0084 0.0148 0.0477 200 TYR A CZ 1580 O OH . TYR A 205 ? 0.6690 0.8600 0.7002 -0.0083 0.0091 0.0528 200 TYR A OH 1581 N N . TRP A 206 ? 0.5555 0.7413 0.5989 -0.0092 0.0422 0.0273 201 TRP A N 1582 C CA . TRP A 206 ? 0.6124 0.7980 0.6556 -0.0109 0.0460 0.0252 201 TRP A CA 1583 C C . TRP A 206 ? 0.5969 0.7897 0.6435 -0.0119 0.0421 0.0237 201 TRP A C 1584 O O . TRP A 206 ? 0.6111 0.8093 0.6678 -0.0117 0.0410 0.0218 201 TRP A O 1585 C CB . TRP A 206 ? 0.6412 0.8258 0.6923 -0.0105 0.0518 0.0233 201 TRP A CB 1586 C CG . TRP A 206 ? 0.6019 0.7853 0.6529 -0.0126 0.0557 0.0220 201 TRP A CG 1587 C CD1 . TRP A 206 ? 0.6410 0.8293 0.7016 -0.0139 0.0559 0.0200 201 TRP A CD1 1588 C CD2 . TRP A 206 ? 0.6639 0.8405 0.7051 -0.0137 0.0593 0.0231 201 TRP A CD2 1589 N NE1 . TRP A 206 ? 0.5600 0.7443 0.6176 -0.0159 0.0597 0.0200 201 TRP A NE1 1590 C CE2 . TRP A 206 ? 0.6455 0.8227 0.6909 -0.0157 0.0618 0.0220 201 TRP A CE2 1591 C CE3 . TRP A 206 ? 0.5733 0.7429 0.6028 -0.0134 0.0602 0.0248 201 TRP A CE3 1592 C CZ2 . TRP A 206 ? 0.5448 0.7158 0.5828 -0.0170 0.0651 0.0232 201 TRP A CZ2 1593 C CZ3 . TRP A 206 ? 0.5466 0.7109 0.5686 -0.0148 0.0633 0.0256 201 TRP A CZ3 1594 C CH2 . TRP A 206 ? 0.6058 0.7707 0.6319 -0.0164 0.0657 0.0251 201 TRP A CH2 1595 N N . ILE A 207 ? 0.6023 0.7954 0.6405 -0.0129 0.0401 0.0243 202 ILE A N 1596 C CA . ILE A 207 ? 0.5590 0.7590 0.5982 -0.0134 0.0360 0.0225 202 ILE A CA 1597 C C . ILE A 207 ? 0.5693 0.7683 0.6081 -0.0145 0.0380 0.0197 202 ILE A C 1598 O O . ILE A 207 ? 0.6516 0.8478 0.6827 -0.0149 0.0389 0.0204 202 ILE A O 1599 C CB . ILE A 207 ? 0.5259 0.7287 0.5564 -0.0133 0.0319 0.0252 202 ILE A CB 1600 C CG1 . ILE A 207 ? 0.6111 0.8134 0.6420 -0.0123 0.0295 0.0288 202 ILE A CG1 1601 C CG2 . ILE A 207 ? 0.3803 0.5908 0.4108 -0.0134 0.0280 0.0229 202 ILE A CG2 1602 C CD1 . ILE A 207 ? 0.5060 0.7109 0.5289 -0.0128 0.0258 0.0325 202 ILE A CD1 1603 N N . GLU A 208 ? 0.5783 0.7795 0.6266 -0.0151 0.0383 0.0165 203 GLU A N 1604 C CA . GLU A 208 ? 0.6163 0.8157 0.6666 -0.0164 0.0399 0.0137 203 GLU A CA 1605 C C . GLU A 208 ? 0.6605 0.8653 0.7101 -0.0163 0.0352 0.0102 203 GLU A C 1606 O O . GLU A 208 ? 0.7455 0.9566 0.8000 -0.0160 0.0310 0.0081 203 GLU A O 1607 C CB . GLU A 208 ? 0.7091 0.9079 0.7710 -0.0178 0.0429 0.0123 203 GLU A CB 1608 C CG . GLU A 208 ? 0.7471 0.9408 0.8096 -0.0179 0.0488 0.0150 203 GLU A CG 1609 C CD . GLU A 208 ? 0.8078 1.0014 0.8817 -0.0197 0.0528 0.0140 203 GLU A CD 1610 O OE1 . GLU A 208 ? 0.7984 0.9902 0.8749 -0.0196 0.0579 0.0157 203 GLU A OE1 1611 O OE2 . GLU A 208 ? 0.8840 1.0794 0.9643 -0.0214 0.0510 0.0113 203 GLU A OE2 1612 N N . SER A 209 ? 0.7077 0.9098 0.7512 -0.0162 0.0357 0.0092 204 SER A N 1613 C CA . SER A 209 ? 0.6234 0.8297 0.6662 -0.0156 0.0322 0.0047 204 SER A CA 1614 C C . SER A 209 ? 0.6939 0.8947 0.7408 -0.0164 0.0340 0.0018 204 SER A C 1615 O O . SER A 209 ? 0.7831 0.9769 0.8300 -0.0173 0.0381 0.0044 204 SER A O 1616 C CB . SER A 209 ? 0.7276 0.9370 0.7598 -0.0141 0.0308 0.0059 204 SER A CB 1617 O OG . SER A 209 ? 0.7468 0.9504 0.7737 -0.0140 0.0341 0.0088 204 SER A OG 1618 N N . GLU A 210 ? 0.7228 0.9264 0.7731 -0.0162 0.0306 -0.0036 205 GLU A N 1619 C CA . GLU A 210 ? 0.7007 0.8985 0.7564 -0.0171 0.0314 -0.0068 205 GLU A CA 1620 C C . GLU A 210 ? 0.7562 0.9561 0.8089 -0.0152 0.0279 -0.0125 205 GLU A C 1621 O O . GLU A 210 ? 0.8000 1.0072 0.8466 -0.0134 0.0250 -0.0143 205 GLU A O 1622 C CB . GLU A 210 ? 0.7374 0.9347 0.8058 -0.0197 0.0311 -0.0085 205 GLU A CB 1623 C CG . GLU A 210 ? 0.7470 0.9524 0.8199 -0.0196 0.0256 -0.0129 205 GLU A CG 1624 C CD . GLU A 210 ? 0.8662 1.0718 0.9533 -0.0224 0.0249 -0.0146 205 GLU A CD 1625 O OE1 . GLU A 210 ? 0.6885 0.9003 0.7806 -0.0227 0.0196 -0.0187 205 GLU A OE1 1626 O OE2 . GLU A 210 ? 0.9328 1.1328 1.0260 -0.0246 0.0297 -0.0115 205 GLU A OE2 1627 N N . LYS A 211 ? 0.7628 0.9563 0.8197 -0.0155 0.0284 -0.0154 206 LYS A N 1628 C CA . LYS A 211 ? 0.7582 0.9526 0.8132 -0.0131 0.0253 -0.0217 206 LYS A CA 1629 C C . LYS A 211 ? 0.8444 1.0369 0.9092 -0.0146 0.0219 -0.0281 206 LYS A C 1630 O O . LYS A 211 ? 0.8900 1.0742 0.9623 -0.0164 0.0231 -0.0281 206 LYS A O 1631 C CB . LYS A 211 ? 0.8432 1.0309 0.8947 -0.0114 0.0278 -0.0203 206 LYS A CB 1632 C CG . LYS A 211 ? 0.7797 0.9669 0.8310 -0.0085 0.0251 -0.0274 206 LYS A CG 1633 C CD . LYS A 211 ? 0.8097 1.0071 0.8523 -0.0053 0.0235 -0.0303 206 LYS A CD 1634 C CE . LYS A 211 ? 0.8307 1.0280 0.8726 -0.0016 0.0218 -0.0375 206 LYS A CE 1635 N NZ . LYS A 211 ? 0.9587 1.1547 1.0066 -0.0017 0.0177 -0.0459 206 LYS A NZ 1636 N N . ASN A 212 ? 0.9124 1.1123 0.9771 -0.0140 0.0172 -0.0333 207 ASN A N 1637 C CA . ASN A 212 ? 0.9701 1.1685 1.0430 -0.0150 0.0128 -0.0408 207 ASN A CA 1638 C C . ASN A 212 ? 0.9232 1.1218 0.9903 -0.0113 0.0105 -0.0480 207 ASN A C 1639 O O . ASN A 212 ? 0.8951 1.0871 0.9613 -0.0098 0.0129 -0.0478 207 ASN A O 1640 C CB . ASN A 212 ? 0.9377 1.1440 1.0145 -0.0165 0.0083 -0.0431 207 ASN A CB 1641 C CG . ASN A 212 ? 1.0856 1.2885 1.1752 -0.0193 0.0044 -0.0487 207 ASN A CG 1642 O OD1 . ASN A 212 ? 1.2353 1.4307 1.3289 -0.0194 0.0040 -0.0529 207 ASN A OD1 1643 N ND2 . ASN A 212 ? 1.0755 1.2840 1.1724 -0.0216 0.0013 -0.0488 207 ASN A ND2 1644 N N . ASP A 213 ? 0.9599 1.1662 1.0227 -0.0097 0.0059 -0.0543 208 ASP A N 1645 C CA . ASP A 213 ? 0.9868 1.1955 1.0418 -0.0055 0.0045 -0.0611 208 ASP A CA 1646 C C . ASP A 213 ? 0.9434 1.1575 0.9872 -0.0028 0.0085 -0.0559 208 ASP A C 1647 O O . ASP A 213 ? 0.9442 1.1561 0.9850 0.0001 0.0109 -0.0569 208 ASP A O 1648 C CB . ASP A 213 ? 1.0001 1.2161 1.0520 -0.0045 -0.0014 -0.0695 208 ASP A CB 1649 C CG . ASP A 213 ? 1.1847 1.3942 1.2473 -0.0062 -0.0062 -0.0774 208 ASP A CG 1650 O OD1 . ASP A 213 ? 1.1692 1.3800 1.2393 -0.0097 -0.0097 -0.0775 208 ASP A OD1 1651 O OD2 . ASP A 213 ? 1.3045 1.5075 1.3687 -0.0041 -0.0066 -0.0837 208 ASP A OD2 1652 N N . THR A 214 ? 0.8177 1.0391 0.8564 -0.0039 0.0090 -0.0502 209 THR A N 1653 C CA . THR A 214 ? 0.8467 1.0729 0.8762 -0.0025 0.0126 -0.0439 209 THR A CA 1654 C C . THR A 214 ? 0.8190 1.0420 0.8514 -0.0054 0.0154 -0.0348 209 THR A C 1655 O O . THR A 214 ? 0.8707 1.0892 0.9116 -0.0082 0.0148 -0.0338 209 THR A O 1656 C CB . THR A 214 ? 0.9267 1.1648 0.9459 -0.0010 0.0105 -0.0449 209 THR A CB 1657 O OG1 . THR A 214 ? 0.9154 1.1570 0.9357 -0.0035 0.0078 -0.0415 209 THR A OG1 1658 C CG2 . THR A 214 ? 0.8658 1.1076 0.8820 0.0018 0.0071 -0.0552 209 THR A CG2 1659 N N . TRP A 215 ? 0.7559 0.9813 0.7814 -0.0049 0.0186 -0.0285 210 TRP A N 1660 C CA . TRP A 215 ? 0.6679 0.8906 0.6947 -0.0073 0.0209 -0.0207 210 TRP A CA 1661 C C . TRP A 215 ? 0.6857 0.9154 0.7111 -0.0083 0.0179 -0.0188 210 TRP A C 1662 O O . TRP A 215 ? 0.7369 0.9748 0.7556 -0.0070 0.0153 -0.0207 210 TRP A O 1663 C CB . TRP A 215 ? 0.6145 0.8367 0.6350 -0.0065 0.0245 -0.0149 210 TRP A CB 1664 C CG . TRP A 215 ? 0.5830 0.7961 0.6066 -0.0064 0.0274 -0.0140 210 TRP A CG 1665 C CD1 . TRP A 215 ? 0.5933 0.8047 0.6166 -0.0039 0.0278 -0.0175 210 TRP A CD1 1666 C CD2 . TRP A 215 ? 0.6016 0.8063 0.6292 -0.0086 0.0301 -0.0093 210 TRP A CD2 1667 N NE1 . TRP A 215 ? 0.5681 0.7699 0.5947 -0.0046 0.0302 -0.0146 210 TRP A NE1 1668 C CE2 . TRP A 215 ? 0.6264 0.8241 0.6550 -0.0076 0.0318 -0.0095 210 TRP A CE2 1669 C CE3 . TRP A 215 ? 0.6161 0.8186 0.6462 -0.0110 0.0314 -0.0049 210 TRP A CE3 1670 C CZ2 . TRP A 215 ? 0.6467 0.8354 0.6774 -0.0093 0.0347 -0.0051 210 TRP A CZ2 1671 C CZ3 . TRP A 215 ? 0.6296 0.8236 0.6620 -0.0125 0.0348 -0.0012 210 TRP A CZ3 1672 C CH2 . TRP A 215 ? 0.6527 0.8399 0.6848 -0.0118 0.0364 -0.0011 210 TRP A CH2 1673 N N . ARG A 216 ? 0.6139 0.8403 0.6456 -0.0105 0.0185 -0.0150 211 ARG A N 1674 C CA . ARG A 216 ? 0.6658 0.8979 0.6985 -0.0112 0.0151 -0.0134 211 ARG A CA 1675 C C . ARG A 216 ? 0.6534 0.8816 0.6915 -0.0128 0.0175 -0.0075 211 ARG A C 1676 O O . ARG A 216 ? 0.6119 0.8328 0.6542 -0.0138 0.0216 -0.0059 211 ARG A O 1677 C CB . ARG A 216 ? 0.6893 0.9240 0.7287 -0.0117 0.0104 -0.0199 211 ARG A CB 1678 C CG . ARG A 216 ? 0.7276 0.9554 0.7797 -0.0139 0.0117 -0.0216 211 ARG A CG 1679 C CD . ARG A 216 ? 0.7564 0.9866 0.8161 -0.0148 0.0065 -0.0284 211 ARG A CD 1680 N NE . ARG A 216 ? 0.7869 1.0117 0.8604 -0.0176 0.0079 -0.0285 211 ARG A NE 1681 C CZ . ARG A 216 ? 0.8833 1.1079 0.9666 -0.0194 0.0041 -0.0343 211 ARG A CZ 1682 N NH1 . ARG A 216 ? 0.9306 1.1508 1.0270 -0.0224 0.0061 -0.0332 211 ARG A NH1 1683 N NH2 . ARG A 216 ? 0.8402 1.0691 0.9201 -0.0182 -0.0018 -0.0412 211 ARG A NH2 1684 N N . LEU A 217 ? 0.6594 0.8924 0.6970 -0.0129 0.0149 -0.0043 212 LEU A N 1685 C CA . LEU A 217 ? 0.6415 0.8715 0.6853 -0.0138 0.0167 0.0002 212 LEU A CA 1686 C C . LEU A 217 ? 0.6947 0.9229 0.7516 -0.0152 0.0168 -0.0028 212 LEU A C 1687 O O . LEU A 217 ? 0.6692 0.9023 0.7316 -0.0155 0.0122 -0.0068 212 LEU A O 1688 C CB . LEU A 217 ? 0.5200 0.7555 0.5612 -0.0131 0.0129 0.0040 212 LEU A CB 1689 C CG . LEU A 217 ? 0.6295 0.8628 0.6781 -0.0132 0.0139 0.0080 212 LEU A CG 1690 C CD1 . LEU A 217 ? 0.5615 0.7873 0.6068 -0.0133 0.0195 0.0121 212 LEU A CD1 1691 C CD2 . LEU A 217 ? 0.6300 0.8689 0.6768 -0.0122 0.0088 0.0113 212 LEU A CD2 1692 N N . LYS A 218 ? 0.6255 0.8469 0.6873 -0.0163 0.0221 -0.0009 213 LYS A N 1693 C CA . LYS A 218 ? 0.5693 0.7895 0.6444 -0.0181 0.0233 -0.0027 213 LYS A CA 1694 C C . LYS A 218 ? 0.6307 0.8546 0.7135 -0.0178 0.0227 -0.0001 213 LYS A C 1695 O O . LYS A 218 ? 0.6081 0.8374 0.7007 -0.0184 0.0188 -0.0027 213 LYS A O 1696 C CB . LYS A 218 ? 0.5597 0.7715 0.6362 -0.0195 0.0296 -0.0012 213 LYS A CB 1697 C CG . LYS A 218 ? 0.6329 0.8435 0.7233 -0.0220 0.0316 -0.0026 213 LYS A CG 1698 C CD . LYS A 218 ? 0.6775 0.8800 0.7676 -0.0234 0.0384 0.0004 213 LYS A CD 1699 C CE . LYS A 218 ? 0.7741 0.9760 0.8784 -0.0264 0.0409 -0.0004 213 LYS A CE 1700 N NZ . LYS A 218 ? 1.0389 1.2330 1.1419 -0.0280 0.0479 0.0034 213 LYS A NZ 1701 N N . ARG A 219 ? 0.6098 0.8307 0.6884 -0.0168 0.0262 0.0046 214 ARG A N 1702 C CA . ARG A 219 ? 0.5687 0.7924 0.6546 -0.0158 0.0259 0.0071 214 ARG A CA 1703 C C . ARG A 219 ? 0.6014 0.8204 0.6793 -0.0143 0.0289 0.0117 214 ARG A C 1704 O O . ARG A 219 ? 0.6321 0.8450 0.7019 -0.0148 0.0330 0.0130 214 ARG A O 1705 C CB . ARG A 219 ? 0.6562 0.8799 0.7565 -0.0173 0.0297 0.0059 214 ARG A CB 1706 C CG . ARG A 219 ? 0.7207 0.9368 0.8193 -0.0187 0.0372 0.0070 214 ARG A CG 1707 C CD . ARG A 219 ? 0.6943 0.9115 0.8066 -0.0199 0.0420 0.0072 214 ARG A CD 1708 N NE . ARG A 219 ? 0.7227 0.9419 0.8385 -0.0176 0.0435 0.0094 214 ARG A NE 1709 C CZ . ARG A 219 ? 0.8118 1.0256 0.9219 -0.0164 0.0493 0.0121 214 ARG A CZ 1710 N NH1 . ARG A 219 ? 0.7476 0.9540 0.8479 -0.0175 0.0539 0.0133 214 ARG A NH1 1711 N NH2 . ARG A 219 ? 0.7258 0.9413 0.8400 -0.0138 0.0502 0.0133 214 ARG A NH2 1712 N N . ALA A 220 ? 0.7295 0.9511 0.8099 -0.0126 0.0266 0.0141 215 ALA A N 1713 C CA . ALA A 220 ? 0.5963 0.8126 0.6696 -0.0112 0.0287 0.0182 215 ALA A CA 1714 C C . ALA A 220 ? 0.6873 0.9032 0.7701 -0.0094 0.0306 0.0192 215 ALA A C 1715 O O . ALA A 220 ? 0.7609 0.9827 0.8556 -0.0087 0.0281 0.0178 215 ALA A O 1716 C CB . ALA A 220 ? 0.6387 0.8570 0.7024 -0.0105 0.0235 0.0210 215 ALA A CB 1717 N N . HIS A 221 ? 0.6251 0.8342 0.7029 -0.0084 0.0347 0.0213 216 HIS A N 1718 C CA . HIS A 221 ? 0.5521 0.7600 0.6378 -0.0060 0.0369 0.0218 216 HIS A CA 1719 C C . HIS A 221 ? 0.6166 0.8184 0.6937 -0.0044 0.0356 0.0250 216 HIS A C 1720 O O . HIS A 221 ? 0.6444 0.8392 0.7114 -0.0051 0.0388 0.0259 216 HIS A O 1721 C CB . HIS A 221 ? 0.5130 0.7179 0.6031 -0.0065 0.0450 0.0199 216 HIS A CB 1722 C CG . HIS A 221 ? 0.6202 0.8246 0.7186 -0.0036 0.0484 0.0196 216 HIS A CG 1723 N ND1 . HIS A 221 ? 0.6844 0.8846 0.7825 -0.0033 0.0563 0.0186 216 HIS A ND1 1724 C CD2 . HIS A 221 ? 0.6184 0.8261 0.7256 -0.0006 0.0449 0.0200 216 HIS A CD2 1725 C CE1 . HIS A 221 ? 0.5281 0.7294 0.6346 0.0000 0.0581 0.0178 216 HIS A CE1 1726 N NE2 . HIS A 221 ? 0.5712 0.7768 0.6840 0.0018 0.0510 0.0187 216 HIS A NE2 1727 N N . LEU A 222 ? 0.6779 0.8821 0.7595 -0.0023 0.0304 0.0270 217 LEU A N 1728 C CA . LEU A 222 ? 0.5999 0.7981 0.6746 -0.0010 0.0280 0.0305 217 LEU A CA 1729 C C . LEU A 222 ? 0.6919 0.8875 0.7759 0.0027 0.0290 0.0301 217 LEU A C 1730 O O . LEU A 222 ? 0.7083 0.9095 0.8034 0.0048 0.0253 0.0302 217 LEU A O 1731 C CB . LEU A 222 ? 0.6436 0.8457 0.7139 -0.0016 0.0204 0.0342 217 LEU A CB 1732 C CG . LEU A 222 ? 0.6536 0.8619 0.7187 -0.0042 0.0183 0.0334 217 LEU A CG 1733 C CD1 . LEU A 222 ? 0.5348 0.7475 0.5949 -0.0045 0.0112 0.0373 217 LEU A CD1 1734 C CD2 . LEU A 222 ? 0.7000 0.9041 0.7548 -0.0065 0.0227 0.0326 217 LEU A CD2 1735 N N . ILE A 223 ? 0.6441 0.8313 0.7236 0.0037 0.0337 0.0293 218 ILE A N 1736 C CA . ILE A 223 ? 0.5623 0.7462 0.6498 0.0077 0.0350 0.0282 218 ILE A CA 1737 C C . ILE A 223 ? 0.5775 0.7558 0.6615 0.0090 0.0287 0.0321 218 ILE A C 1738 O O . ILE A 223 ? 0.6286 0.8019 0.7177 0.0126 0.0288 0.0314 218 ILE A O 1739 C CB . ILE A 223 ? 0.6607 0.8378 0.7444 0.0084 0.0432 0.0249 218 ILE A CB 1740 C CG1 . ILE A 223 ? 0.6384 0.8067 0.7061 0.0061 0.0434 0.0264 218 ILE A CG1 1741 C CG2 . ILE A 223 ? 0.6863 0.8689 0.7748 0.0070 0.0497 0.0219 218 ILE A CG2 1742 C CD1 . ILE A 223 ? 0.6652 0.8236 0.7290 0.0085 0.0424 0.0264 218 ILE A CD1 1743 N N . GLU A 224 ? 0.7437 0.9229 0.8194 0.0062 0.0234 0.0362 219 GLU A N 1744 C CA . GLU A 224 ? 0.7613 0.9356 0.8329 0.0064 0.0172 0.0411 219 GLU A CA 1745 C C . GLU A 224 ? 0.6766 0.8569 0.7419 0.0033 0.0117 0.0455 219 GLU A C 1746 O O . GLU A 224 ? 0.6268 0.8125 0.6876 0.0008 0.0135 0.0441 219 GLU A O 1747 C CB . GLU A 224 ? 0.6808 0.8440 0.7430 0.0057 0.0195 0.0412 219 GLU A CB 1748 C CG . GLU A 224 ? 0.7678 0.9304 0.8179 0.0016 0.0222 0.0413 219 GLU A CG 1749 C CD . GLU A 224 ? 0.7942 0.9460 0.8355 0.0007 0.0237 0.0412 219 GLU A CD 1750 O OE1 . GLU A 224 ? 0.8570 1.0012 0.9013 0.0033 0.0229 0.0406 219 GLU A OE1 1751 O OE2 . GLU A 224 ? 0.8319 0.9828 0.8637 -0.0025 0.0253 0.0415 219 GLU A OE2 1752 N N . MET A 225 ? 0.5919 0.7712 0.6567 0.0036 0.0051 0.0509 220 MET A N 1753 C CA . MET A 225 ? 0.6745 0.8598 0.7321 0.0007 0.0001 0.0556 220 MET A CA 1754 C C . MET A 225 ? 0.6598 0.8386 0.7078 -0.0018 -0.0021 0.0612 220 MET A C 1755 O O . MET A 225 ? 0.7205 0.8969 0.7695 -0.0014 -0.0078 0.0668 220 MET A O 1756 C CB . MET A 225 ? 0.6792 0.8713 0.7442 0.0026 -0.0065 0.0583 220 MET A CB 1757 C CG . MET A 225 ? 0.7092 0.9050 0.7887 0.0064 -0.0057 0.0537 220 MET A CG 1758 S SD . MET A 225 ? 0.8068 1.0090 0.8901 0.0054 0.0012 0.0462 220 MET A SD 1759 C CE . MET A 225 ? 0.6047 0.8142 0.6764 0.0013 -0.0014 0.0474 220 MET A CE 1760 N N . LYS A 226 ? 0.6476 0.8237 0.6869 -0.0047 0.0019 0.0601 221 LYS A N 1761 C CA . LYS A 226 ? 0.6809 0.8511 0.7124 -0.0076 0.0001 0.0650 221 LYS A CA 1762 C C . LYS A 226 ? 0.6549 0.8331 0.6785 -0.0111 -0.0024 0.0699 221 LYS A C 1763 O O . LYS A 226 ? 0.5735 0.7608 0.5954 -0.0115 -0.0013 0.0676 221 LYS A O 1764 C CB . LYS A 226 ? 0.6077 0.7705 0.6343 -0.0087 0.0053 0.0615 221 LYS A CB 1765 C CG . LYS A 226 ? 0.5335 0.7014 0.5563 -0.0098 0.0105 0.0570 221 LYS A CG 1766 C CD . LYS A 226 ? 0.6516 0.8112 0.6695 -0.0106 0.0147 0.0541 221 LYS A CD 1767 C CE . LYS A 226 ? 0.4879 0.6517 0.5010 -0.0121 0.0191 0.0509 221 LYS A CE 1768 N NZ . LYS A 226 ? 0.6219 0.7892 0.6409 -0.0098 0.0230 0.0460 221 LYS A NZ 1769 N N . THR A 227 ? 0.6350 0.8097 0.6540 -0.0137 -0.0058 0.0764 222 THR A N 1770 C CA . THR A 227 ? 0.6518 0.8346 0.6638 -0.0170 -0.0084 0.0822 222 THR A CA 1771 C C . THR A 227 ? 0.6399 0.8221 0.6445 -0.0212 -0.0063 0.0848 222 THR A C 1772 O O . THR A 227 ? 0.6786 0.8662 0.6780 -0.0243 -0.0085 0.0910 222 THR A O 1773 C CB . THR A 227 ? 0.6521 0.8342 0.6658 -0.0170 -0.0150 0.0900 222 THR A CB 1774 O OG1 . THR A 227 ? 0.6150 0.7846 0.6321 -0.0169 -0.0170 0.0927 222 THR A OG1 1775 C CG2 . THR A 227 ? 0.6567 0.8429 0.6773 -0.0130 -0.0180 0.0881 222 THR A CG2 1776 N N . CYS A 228 ? 0.6291 0.8054 0.6332 -0.0213 -0.0022 0.0801 223 CYS A N 1777 C CA . CYS A 228 ? 0.6266 0.8034 0.6247 -0.0251 -0.0003 0.0816 223 CYS A CA 1778 C C . CYS A 228 ? 0.6369 0.8253 0.6307 -0.0257 0.0028 0.0792 223 CYS A C 1779 O O . CYS A 228 ? 0.5276 0.7229 0.5226 -0.0236 0.0029 0.0767 223 CYS A O 1780 C CB . CYS A 228 ? 0.6444 0.8109 0.6426 -0.0248 0.0025 0.0772 223 CYS A CB 1781 S SG . CYS A 228 ? 0.7071 0.8714 0.7087 -0.0205 0.0075 0.0680 223 CYS A SG 1782 N N . GLU A 229 ? 0.7104 0.9011 0.6998 -0.0284 0.0050 0.0797 224 GLU A N 1783 C CA . GLU A 229 ? 0.7533 0.9549 0.7392 -0.0286 0.0079 0.0771 224 GLU A CA 1784 C C . GLU A 229 ? 0.6813 0.8802 0.6670 -0.0276 0.0121 0.0710 224 GLU A C 1785 O O . GLU A 229 ? 0.7134 0.9073 0.6976 -0.0295 0.0128 0.0717 224 GLU A O 1786 C CB . GLU A 229 ? 0.7524 0.9621 0.7339 -0.0322 0.0072 0.0832 224 GLU A CB 1787 C CG . GLU A 229 ? 0.7706 0.9866 0.7502 -0.0330 0.0038 0.0891 224 GLU A CG 1788 C CD . GLU A 229 ? 0.7925 1.0181 0.7674 -0.0367 0.0042 0.0953 224 GLU A CD 1789 O OE1 . GLU A 229 ? 0.7701 1.0003 0.7437 -0.0379 0.0076 0.0934 224 GLU A OE1 1790 O OE2 . GLU A 229 ? 0.9369 1.1657 0.9095 -0.0385 0.0011 0.1023 224 GLU A OE2 1791 N N . TRP A 230 ? 0.5671 0.7691 0.5542 -0.0250 0.0145 0.0653 225 TRP A N 1792 C CA . TRP A 230 ? 0.6202 0.8199 0.6070 -0.0240 0.0183 0.0599 225 TRP A CA 1793 C C . TRP A 230 ? 0.5970 0.8025 0.5800 -0.0259 0.0196 0.0610 225 TRP A C 1794 O O . TRP A 230 ? 0.7054 0.9209 0.6867 -0.0260 0.0197 0.0613 225 TRP A O 1795 C CB . TRP A 230 ? 0.5595 0.7625 0.5494 -0.0213 0.0201 0.0544 225 TRP A CB 1796 C CG . TRP A 230 ? 0.6173 0.8147 0.6083 -0.0202 0.0238 0.0495 225 TRP A CG 1797 C CD1 . TRP A 230 ? 0.6936 0.8921 0.6821 -0.0204 0.0262 0.0474 225 TRP A CD1 1798 C CD2 . TRP A 230 ? 0.6312 0.8215 0.6263 -0.0185 0.0257 0.0465 225 TRP A CD2 1799 N NE1 . TRP A 230 ? 0.6643 0.8561 0.6543 -0.0193 0.0292 0.0438 225 TRP A NE1 1800 C CE2 . TRP A 230 ? 0.6777 0.8648 0.6715 -0.0182 0.0294 0.0432 225 TRP A CE2 1801 C CE3 . TRP A 230 ? 0.6173 0.8040 0.6175 -0.0170 0.0248 0.0465 225 TRP A CE3 1802 C CZ2 . TRP A 230 ? 0.7012 0.8820 0.6978 -0.0170 0.0326 0.0402 225 TRP A CZ2 1803 C CZ3 . TRP A 230 ? 0.6371 0.8183 0.6410 -0.0154 0.0283 0.0429 225 TRP A CZ3 1804 C CH2 . TRP A 230 ? 0.6837 0.8621 0.6853 -0.0156 0.0323 0.0399 225 TRP A CH2 1805 N N . PRO A 231 ? 0.5111 0.7106 0.4926 -0.0272 0.0204 0.0612 226 PRO A N 1806 C CA . PRO A 231 ? 0.5954 0.8002 0.5748 -0.0290 0.0211 0.0626 226 PRO A CA 1807 C C . PRO A 231 ? 0.5876 0.7990 0.5670 -0.0269 0.0239 0.0580 226 PRO A C 1808 O O . PRO A 231 ? 0.5921 0.7995 0.5727 -0.0246 0.0257 0.0532 226 PRO A O 1809 C CB . PRO A 231 ? 0.5936 0.7883 0.5720 -0.0303 0.0208 0.0626 226 PRO A CB 1810 C CG . PRO A 231 ? 0.6010 0.7862 0.5801 -0.0279 0.0218 0.0589 226 PRO A CG 1811 C CD . PRO A 231 ? 0.5984 0.7859 0.5804 -0.0268 0.0206 0.0598 226 PRO A CD 1812 N N . LYS A 232 ? 0.7332 0.9546 0.7116 -0.0278 0.0244 0.0595 227 LYS A N 1813 C CA . LYS A 232 ? 0.6631 0.8910 0.6419 -0.0254 0.0268 0.0549 227 LYS A CA 1814 C C . LYS A 232 ? 0.6972 0.9191 0.6766 -0.0247 0.0280 0.0524 227 LYS A C 1815 O O . LYS A 232 ? 0.7267 0.9493 0.7073 -0.0221 0.0298 0.0478 227 LYS A O 1816 C CB . LYS A 232 ? 0.7358 0.9767 0.7136 -0.0263 0.0273 0.0572 227 LYS A CB 1817 C CG . LYS A 232 ? 0.7960 1.0443 0.7715 -0.0268 0.0263 0.0596 227 LYS A CG 1818 C CD . LYS A 232 ? 0.7786 1.0399 0.7525 -0.0283 0.0275 0.0630 227 LYS A CD 1819 C CE . LYS A 232 ? 0.8441 1.1138 0.8139 -0.0283 0.0268 0.0648 227 LYS A CE 1820 N NZ . LYS A 232 ? 0.9437 1.2268 0.9112 -0.0300 0.0287 0.0688 227 LYS A NZ 1821 N N . SER A 233 ? 0.6354 0.8510 0.6141 -0.0269 0.0266 0.0555 228 SER A N 1822 C CA . SER A 233 ? 0.5806 0.7900 0.5587 -0.0265 0.0270 0.0538 228 SER A CA 1823 C C . SER A 233 ? 0.5712 0.7717 0.5485 -0.0241 0.0288 0.0496 228 SER A C 1824 O O . SER A 233 ? 0.5667 0.7642 0.5436 -0.0227 0.0299 0.0472 228 SER A O 1825 C CB . SER A 233 ? 0.5442 0.7475 0.5208 -0.0296 0.0244 0.0576 228 SER A CB 1826 O OG . SER A 233 ? 0.6205 0.8149 0.5957 -0.0302 0.0234 0.0582 228 SER A OG 1827 N N . HIS A 234 ? 0.6517 0.8486 0.6295 -0.0238 0.0290 0.0490 229 HIS A N 1828 C CA . HIS A 234 ? 0.6723 0.8621 0.6507 -0.0219 0.0311 0.0454 229 HIS A CA 1829 C C . HIS A 234 ? 0.6533 0.8487 0.6353 -0.0202 0.0321 0.0424 229 HIS A C 1830 O O . HIS A 234 ? 0.6205 0.8121 0.6050 -0.0193 0.0331 0.0404 229 HIS A O 1831 C CB . HIS A 234 ? 0.6217 0.8027 0.5991 -0.0226 0.0308 0.0463 229 HIS A CB 1832 C CG . HIS A 234 ? 0.6952 0.8688 0.6682 -0.0241 0.0297 0.0480 229 HIS A CG 1833 N ND1 . HIS A 234 ? 0.6859 0.8623 0.6577 -0.0265 0.0268 0.0514 229 HIS A ND1 1834 C CD2 . HIS A 234 ? 0.7016 0.8655 0.6709 -0.0238 0.0309 0.0465 229 HIS A CD2 1835 C CE1 . HIS A 234 ? 0.7185 0.8866 0.6864 -0.0276 0.0257 0.0517 229 HIS A CE1 1836 N NE2 . HIS A 234 ? 0.7211 0.8815 0.6867 -0.0258 0.0282 0.0486 229 HIS A NE2 1837 N N . THR A 235 ? 0.6331 0.8379 0.6158 -0.0196 0.0317 0.0417 230 THR A N 1838 C CA . THR A 235 ? 0.5334 0.7439 0.5188 -0.0180 0.0319 0.0382 230 THR A CA 1839 C C . THR A 235 ? 0.5317 0.7467 0.5180 -0.0162 0.0330 0.0345 230 THR A C 1840 O O . THR A 235 ? 0.6194 0.8380 0.6043 -0.0162 0.0331 0.0358 230 THR A O 1841 C CB . THR A 235 ? 0.6215 0.8401 0.6059 -0.0188 0.0297 0.0408 230 THR A CB 1842 O OG1 . THR A 235 ? 0.6314 0.8451 0.6155 -0.0204 0.0280 0.0449 230 THR A OG1 1843 C CG2 . THR A 235 ? 0.5902 0.8136 0.5767 -0.0171 0.0291 0.0369 230 THR A CG2 1844 N N . LEU A 236 ? 0.5245 0.7392 0.5139 -0.0145 0.0337 0.0298 231 LEU A N 1845 C CA . LEU A 236 ? 0.5421 0.7600 0.5329 -0.0123 0.0344 0.0255 231 LEU A CA 1846 C C . LEU A 236 ? 0.5863 0.8148 0.5767 -0.0111 0.0334 0.0227 231 LEU A C 1847 O O . LEU A 236 ? 0.5613 0.7926 0.5514 -0.0116 0.0319 0.0226 231 LEU A O 1848 C CB . LEU A 236 ? 0.4776 0.6881 0.4726 -0.0114 0.0356 0.0217 231 LEU A CB 1849 C CG . LEU A 236 ? 0.4417 0.6418 0.4362 -0.0126 0.0372 0.0242 231 LEU A CG 1850 C CD1 . LEU A 236 ? 0.5114 0.7067 0.5096 -0.0132 0.0383 0.0230 231 LEU A CD1 1851 C CD2 . LEU A 236 ? 0.4567 0.6526 0.4515 -0.0113 0.0381 0.0232 231 LEU A CD2 1852 N N . TRP A 237 ? 0.5558 0.7900 0.5458 -0.0092 0.0341 0.0202 232 TRP A N 1853 C CA . TRP A 237 ? 0.5865 0.8309 0.5752 -0.0074 0.0336 0.0162 232 TRP A CA 1854 C C . TRP A 237 ? 0.6079 0.8599 0.5921 -0.0092 0.0324 0.0203 232 TRP A C 1855 O O . TRP A 237 ? 0.5748 0.8287 0.5580 -0.0093 0.0306 0.0189 232 TRP A O 1856 C CB . TRP A 237 ? 0.6010 0.8425 0.5930 -0.0058 0.0327 0.0097 232 TRP A CB 1857 C CG . TRP A 237 ? 0.7015 0.9511 0.6924 -0.0030 0.0324 0.0034 232 TRP A CG 1858 C CD1 . TRP A 237 ? 0.6712 0.9314 0.6582 -0.0015 0.0335 0.0031 232 TRP A CD1 1859 C CD2 . TRP A 237 ? 0.7378 0.9855 0.7318 -0.0011 0.0310 -0.0041 232 TRP A CD2 1860 N NE1 . TRP A 237 ? 0.7098 0.9749 0.6963 0.0015 0.0331 -0.0045 232 TRP A NE1 1861 C CE2 . TRP A 237 ? 0.6987 0.9557 0.6895 0.0017 0.0312 -0.0092 232 TRP A CE2 1862 C CE3 . TRP A 237 ? 0.6543 0.8936 0.6539 -0.0018 0.0297 -0.0070 232 TRP A CE3 1863 C CZ2 . TRP A 237 ? 0.6119 0.8692 0.6044 0.0041 0.0296 -0.0177 232 TRP A CZ2 1864 C CZ3 . TRP A 237 ? 0.7027 0.9423 0.7048 0.0000 0.0279 -0.0148 232 TRP A CZ3 1865 C CH2 . TRP A 237 ? 0.6275 0.8755 0.6258 0.0031 0.0276 -0.0204 232 TRP A CH2 1866 N N . THR A 238 ? 0.6449 0.9011 0.6268 -0.0108 0.0331 0.0258 233 THR A N 1867 C CA . THR A 238 ? 0.5752 0.8368 0.5531 -0.0133 0.0319 0.0314 233 THR A CA 1868 C C . THR A 238 ? 0.5674 0.8427 0.5412 -0.0126 0.0330 0.0313 233 THR A C 1869 O O . THR A 238 ? 0.6579 0.9392 0.6282 -0.0150 0.0325 0.0371 233 THR A O 1870 C CB . THR A 238 ? 0.5615 0.8186 0.5397 -0.0164 0.0316 0.0384 233 THR A CB 1871 O OG1 . THR A 238 ? 0.5700 0.8318 0.5492 -0.0163 0.0333 0.0394 233 THR A OG1 1872 C CG2 . THR A 238 ? 0.5501 0.7941 0.5310 -0.0167 0.0312 0.0381 233 THR A CG2 1873 N N . ASP A 239 ? 0.7104 0.9906 0.6849 -0.0093 0.0346 0.0247 234 ASP A N 1874 C CA . ASP A 239 ? 0.7059 0.9999 0.6762 -0.0079 0.0363 0.0233 234 ASP A CA 1875 C C . ASP A 239 ? 0.7340 1.0314 0.7010 -0.0052 0.0352 0.0161 234 ASP A C 1876 O O . ASP A 239 ? 0.7784 1.0677 0.7488 -0.0037 0.0337 0.0106 234 ASP A O 1877 C CB . ASP A 239 ? 0.6449 0.9437 0.6188 -0.0056 0.0394 0.0211 234 ASP A CB 1878 C CG . ASP A 239 ? 0.7010 0.9946 0.6791 -0.0015 0.0395 0.0126 234 ASP A CG 1879 O OD1 . ASP A 239 ? 0.8471 1.1481 0.8239 0.0020 0.0408 0.0061 234 ASP A OD1 1880 O OD2 . ASP A 239 ? 0.7923 1.0739 0.7747 -0.0019 0.0384 0.0125 234 ASP A OD2 1881 N N . GLY A 240 ? 0.7334 1.0427 0.6935 -0.0049 0.0359 0.0164 235 GLY A N 1882 C CA . GLY A 240 ? 0.7877 1.1014 0.7432 -0.0023 0.0345 0.0092 235 GLY A CA 1883 C C . GLY A 240 ? 0.7259 1.0343 0.6797 -0.0040 0.0300 0.0100 235 GLY A C 1884 O O . GLY A 240 ? 0.8230 1.1304 0.7761 -0.0020 0.0276 0.0029 235 GLY A O 1885 N N . ILE A 241 ? 0.6804 0.9852 0.6342 -0.0075 0.0284 0.0186 236 ILE A N 1886 C CA . ILE A 241 ? 0.7073 1.0080 0.6604 -0.0088 0.0239 0.0203 236 ILE A CA 1887 C C . ILE A 241 ? 0.7280 1.0338 0.6750 -0.0117 0.0224 0.0294 236 ILE A C 1888 O O . ILE A 241 ? 0.6875 0.9919 0.6357 -0.0143 0.0238 0.0369 236 ILE A O 1889 C CB . ILE A 241 ? 0.8289 1.1161 0.7907 -0.0098 0.0226 0.0210 236 ILE A CB 1890 C CG1 . ILE A 241 ? 0.7185 1.0000 0.6850 -0.0104 0.0260 0.0230 236 ILE A CG1 1891 C CG2 . ILE A 241 ? 0.8236 1.1061 0.7900 -0.0078 0.0206 0.0126 236 ILE A CG2 1892 C CD1 . ILE A 241 ? 0.6813 0.9624 0.6466 -0.0135 0.0264 0.0322 236 ILE A CD1 1893 N N . GLU A 242 ? 1.0126 1.3241 0.9531 -0.0114 0.0191 0.0289 237 GLU A N 1894 C CA . GLU A 242 ? 0.9486 1.2638 0.8833 -0.0141 0.0167 0.0380 237 GLU A CA 1895 C C . GLU A 242 ? 0.9458 1.2500 0.8871 -0.0156 0.0127 0.0421 237 GLU A C 1896 O O . GLU A 242 ? 0.8961 1.1927 0.8446 -0.0142 0.0113 0.0367 237 GLU A O 1897 C CB . GLU A 242 ? 1.0842 1.4097 1.0085 -0.0130 0.0141 0.0361 237 GLU A CB 1898 C CG . GLU A 242 ? 1.2171 1.5507 1.1321 -0.0157 0.0137 0.0460 237 GLU A CG 1899 C CD . GLU A 242 ? 1.3057 1.6505 1.2152 -0.0161 0.0197 0.0477 237 GLU A CD 1900 O OE1 . GLU A 242 ? 1.3109 1.6534 1.2270 -0.0171 0.0237 0.0492 237 GLU A OE1 1901 O OE2 . GLU A 242 ? 1.2484 1.6049 1.1468 -0.0155 0.0204 0.0473 237 GLU A OE2 1902 N N . GLU A 243 ? 0.8234 1.1268 0.7630 -0.0184 0.0111 0.0518 238 GLU A N 1903 C CA . GLU A 243 ? 0.7307 1.0237 0.6770 -0.0194 0.0075 0.0559 238 GLU A CA 1904 C C . GLU A 243 ? 0.7879 1.0803 0.7354 -0.0176 0.0022 0.0527 238 GLU A C 1905 O O . GLU A 243 ? 0.7620 1.0459 0.7178 -0.0173 -0.0002 0.0527 238 GLU A O 1906 C CB . GLU A 243 ? 0.6703 0.9628 0.6140 -0.0227 0.0064 0.0670 238 GLU A CB 1907 C CG . GLU A 243 ? 0.7998 1.0895 0.7432 -0.0232 0.0004 0.0728 238 GLU A CG 1908 C CD . GLU A 243 ? 0.9127 1.2000 0.8549 -0.0267 -0.0007 0.0839 238 GLU A CD 1909 O OE1 . GLU A 243 ? 1.0930 1.3793 1.0335 -0.0273 -0.0057 0.0901 238 GLU A OE1 1910 O OE2 . GLU A 243 ? 0.8844 1.1704 0.8278 -0.0289 0.0031 0.0866 238 GLU A OE2 1911 N N . SER A 244 ? 0.6983 1.0001 0.6379 -0.0164 0.0003 0.0494 239 SER A N 1912 C CA . SER A 244 ? 0.6213 0.9236 0.5616 -0.0149 -0.0056 0.0460 239 SER A CA 1913 C C . SER A 244 ? 0.6817 0.9808 0.6293 -0.0126 -0.0054 0.0353 239 SER A C 1914 O O . SER A 244 ? 0.6400 0.9388 0.5909 -0.0116 -0.0103 0.0316 239 SER A O 1915 C CB . SER A 244 ? 0.6132 0.9269 0.5405 -0.0147 -0.0084 0.0473 239 SER A CB 1916 O OG . SER A 244 ? 0.8136 1.1351 0.7342 -0.0133 -0.0045 0.0402 239 SER A OG 1917 N N . ASP A 245 ? 0.7271 1.0236 0.6778 -0.0121 -0.0001 0.0305 240 ASP A N 1918 C CA . ASP A 245 ? 0.6461 0.9385 0.6041 -0.0103 0.0004 0.0210 240 ASP A CA 1919 C C . ASP A 245 ? 0.6483 0.9301 0.6185 -0.0109 0.0002 0.0217 240 ASP A C 1920 O O . ASP A 245 ? 0.6493 0.9278 0.6271 -0.0101 -0.0012 0.0156 240 ASP A O 1921 C CB . ASP A 245 ? 0.7565 1.0498 0.7133 -0.0092 0.0058 0.0160 240 ASP A CB 1922 C CG . ASP A 245 ? 0.8655 1.1699 0.8114 -0.0077 0.0065 0.0126 240 ASP A CG 1923 O OD1 . ASP A 245 ? 0.8218 1.1317 0.7622 -0.0069 0.0022 0.0094 240 ASP A OD1 1924 O OD2 . ASP A 245 ? 0.8496 1.1576 0.7924 -0.0073 0.0114 0.0129 240 ASP A OD2 1925 N N . LEU A 246 ? 0.6721 0.9488 0.6443 -0.0124 0.0019 0.0291 241 LEU A N 1926 C CA . LEU A 246 ? 0.7188 0.9855 0.7012 -0.0127 0.0030 0.0299 241 LEU A CA 1927 C C . LEU A 246 ? 0.7472 1.0127 0.7368 -0.0121 -0.0018 0.0296 241 LEU A C 1928 O O . LEU A 246 ? 0.8274 1.0970 0.8137 -0.0122 -0.0065 0.0339 241 LEU A O 1929 C CB . LEU A 246 ? 0.6555 0.9172 0.6371 -0.0143 0.0052 0.0375 241 LEU A CB 1930 C CG . LEU A 246 ? 0.5830 0.8472 0.5582 -0.0153 0.0092 0.0394 241 LEU A CG 1931 C CD1 . LEU A 246 ? 0.6800 0.9391 0.6551 -0.0174 0.0100 0.0472 241 LEU A CD1 1932 C CD2 . LEU A 246 ? 0.6018 0.8630 0.5802 -0.0142 0.0133 0.0329 241 LEU A CD2 1933 N N . ILE A 247 ? 0.6909 0.9510 0.6907 -0.0116 -0.0008 0.0249 242 ILE A N 1934 C CA . ILE A 247 ? 0.6204 0.8797 0.6296 -0.0110 -0.0047 0.0247 242 ILE A CA 1935 C C . ILE A 247 ? 0.6216 0.8759 0.6338 -0.0111 -0.0050 0.0319 242 ILE A C 1936 O O . ILE A 247 ? 0.7443 1.0013 0.7562 -0.0107 -0.0100 0.0361 242 ILE A O 1937 C CB . ILE A 247 ? 0.7144 0.9697 0.7349 -0.0109 -0.0026 0.0184 242 ILE A CB 1938 C CG1 . ILE A 247 ? 0.7236 0.9823 0.7418 -0.0108 -0.0028 0.0110 242 ILE A CG1 1939 C CG2 . ILE A 247 ? 0.7986 1.0547 0.8302 -0.0104 -0.0067 0.0183 242 ILE A CG2 1940 C CD1 . ILE A 247 ? 0.7175 0.9849 0.7305 -0.0102 -0.0091 0.0084 242 ILE A CD1 1941 N N . ILE A 248 ? 0.5863 0.8329 0.6010 -0.0116 0.0002 0.0331 243 ILE A N 1942 C CA . ILE A 248 ? 0.6435 0.8842 0.6596 -0.0116 0.0003 0.0393 243 ILE A CA 1943 C C . ILE A 248 ? 0.6024 0.8448 0.6078 -0.0130 -0.0004 0.0455 243 ILE A C 1944 O O . ILE A 248 ? 0.6391 0.8815 0.6386 -0.0142 0.0033 0.0452 243 ILE A O 1945 C CB . ILE A 248 ? 0.6900 0.9218 0.7111 -0.0116 0.0059 0.0381 243 ILE A CB 1946 C CG1 . ILE A 248 ? 0.6310 0.8620 0.6624 -0.0108 0.0076 0.0323 243 ILE A CG1 1947 C CG2 . ILE A 248 ? 0.5435 0.7686 0.5663 -0.0112 0.0055 0.0434 243 ILE A CG2 1948 C CD1 . ILE A 248 ? 0.5316 0.7544 0.5670 -0.0108 0.0135 0.0312 243 ILE A CD1 1949 N N . PRO A 249 ? 0.6395 0.8836 0.6431 -0.0130 -0.0052 0.0515 244 PRO A N 1950 C CA . PRO A 249 ? 0.6596 0.9064 0.6536 -0.0149 -0.0065 0.0584 244 PRO A CA 1951 C C . PRO A 249 ? 0.7001 0.9405 0.6918 -0.0168 -0.0022 0.0615 244 PRO A C 1952 O O . PRO A 249 ? 0.7193 0.9509 0.7170 -0.0163 -0.0004 0.0610 244 PRO A O 1953 C CB . PRO A 249 ? 0.6187 0.8646 0.6150 -0.0143 -0.0125 0.0646 244 PRO A CB 1954 C CG . PRO A 249 ? 0.7437 0.9917 0.7485 -0.0119 -0.0155 0.0597 244 PRO A CG 1955 C CD . PRO A 249 ? 0.6920 0.9359 0.7038 -0.0113 -0.0101 0.0524 244 PRO A CD 1956 N N . LYS A 250 ? 0.7530 0.9986 0.7362 -0.0188 -0.0007 0.0643 245 LYS A N 1957 C CA . LYS A 250 ? 0.6388 0.8799 0.6200 -0.0210 0.0025 0.0677 245 LYS A CA 1958 C C . LYS A 250 ? 0.6205 0.8532 0.6044 -0.0221 -0.0003 0.0744 245 LYS A C 1959 O O . LYS A 250 ? 0.7589 0.9833 0.7454 -0.0229 0.0018 0.0748 245 LYS A O 1960 C CB . LYS A 250 ? 0.6209 0.8712 0.5935 -0.0231 0.0039 0.0705 245 LYS A CB 1961 C CG . LYS A 250 ? 0.6971 0.9442 0.6683 -0.0261 0.0061 0.0756 245 LYS A CG 1962 C CD . LYS A 250 ? 0.7255 0.9837 0.6894 -0.0281 0.0078 0.0788 245 LYS A CD 1963 C CE . LYS A 250 ? 0.7508 1.0065 0.7149 -0.0317 0.0092 0.0847 245 LYS A CE 1964 N NZ . LYS A 250 ? 0.7762 1.0442 0.7345 -0.0339 0.0115 0.0883 245 LYS A NZ 1965 N N . SER A 251 ? 0.6082 0.8430 0.5915 -0.0220 -0.0053 0.0795 246 SER A N 1966 C CA . SER A 251 ? 0.6602 0.8866 0.6469 -0.0226 -0.0088 0.0861 246 SER A CA 1967 C C . SER A 251 ? 0.6732 0.8911 0.6699 -0.0194 -0.0094 0.0821 246 SER A C 1968 O O . SER A 251 ? 0.6254 0.8353 0.6264 -0.0188 -0.0124 0.0861 246 SER A O 1969 C CB . SER A 251 ? 0.6598 0.8914 0.6420 -0.0235 -0.0143 0.0938 246 SER A CB 1970 O OG . SER A 251 ? 0.7713 1.0116 0.7518 -0.0215 -0.0164 0.0904 246 SER A OG 1971 N N . LEU A 252 ? 0.7602 0.9799 0.7608 -0.0172 -0.0066 0.0742 247 LEU A N 1972 C CA . LEU A 252 ? 0.7513 0.9643 0.7617 -0.0143 -0.0056 0.0697 247 LEU A CA 1973 C C . LEU A 252 ? 0.8078 1.0164 0.8185 -0.0145 0.0007 0.0641 247 LEU A C 1974 O O . LEU A 252 ? 0.7774 0.9852 0.7941 -0.0127 0.0034 0.0583 247 LEU A O 1975 C CB . LEU A 252 ? 0.7870 1.0063 0.8034 -0.0118 -0.0081 0.0659 247 LEU A CB 1976 C CG . LEU A 252 ? 0.8003 1.0153 0.8286 -0.0086 -0.0099 0.0644 247 LEU A CG 1977 C CD1 . LEU A 252 ? 0.6672 0.8815 0.7030 -0.0071 -0.0049 0.0567 247 LEU A CD1 1978 C CD2 . LEU A 252 ? 0.7029 0.9079 0.7337 -0.0080 -0.0108 0.0688 247 LEU A CD2 1979 N N . ALA A 253 ? 0.6970 0.9031 0.7013 -0.0171 0.0027 0.0665 248 ALA A N 1980 C CA . ALA A 253 ? 0.5544 0.7562 0.5574 -0.0177 0.0079 0.0624 248 ALA A CA 1981 C C . ALA A 253 ? 0.5614 0.7690 0.5641 -0.0169 0.0111 0.0564 248 ALA A C 1982 O O . ALA A 253 ? 0.5924 0.7957 0.5966 -0.0164 0.0151 0.0521 248 ALA A O 1983 C CB . ALA A 253 ? 0.6984 0.8898 0.7067 -0.0159 0.0097 0.0602 248 ALA A CB 1984 N N . GLY A 254 ? 0.6734 0.8905 0.6738 -0.0170 0.0091 0.0562 249 GLY A N 1985 C CA . GLY A 254 ? 0.6830 0.9055 0.6831 -0.0163 0.0114 0.0503 249 GLY A CA 1986 C C . GLY A 254 ? 0.7394 0.9638 0.7333 -0.0178 0.0145 0.0499 249 GLY A C 1987 O O . GLY A 254 ? 0.8519 1.0797 0.8402 -0.0196 0.0136 0.0546 249 GLY A O 1988 N N . PRO A 255 ? 0.4902 0.7123 0.4857 -0.0171 0.0181 0.0447 250 PRO A N 1989 C CA . PRO A 255 ? 0.5774 0.8011 0.5684 -0.0179 0.0209 0.0437 250 PRO A CA 1990 C C . PRO A 255 ? 0.5840 0.8184 0.5708 -0.0176 0.0202 0.0424 250 PRO A C 1991 O O . PRO A 255 ? 0.5928 0.8314 0.5810 -0.0162 0.0190 0.0381 250 PRO A O 1992 C CB . PRO A 255 ? 0.5217 0.7397 0.5167 -0.0168 0.0242 0.0385 250 PRO A CB 1993 C CG . PRO A 255 ? 0.4162 0.6280 0.4170 -0.0161 0.0242 0.0383 250 PRO A CG 1994 C CD . PRO A 255 ? 0.5182 0.7350 0.5207 -0.0157 0.0200 0.0402 250 PRO A CD 1995 N N . LEU A 256 ? 0.6988 0.9376 0.6806 -0.0190 0.0209 0.0457 251 LEU A N 1996 C CA . LEU A 256 ? 0.6132 0.8628 0.5905 -0.0184 0.0214 0.0440 251 LEU A CA 1997 C C . LEU A 256 ? 0.6560 0.9057 0.6353 -0.0163 0.0239 0.0369 251 LEU A C 1998 O O . LEU A 256 ? 0.6720 0.9227 0.6505 -0.0161 0.0263 0.0364 251 LEU A O 1999 C CB . LEU A 256 ? 0.7113 0.9660 0.6844 -0.0206 0.0224 0.0496 251 LEU A CB 2000 C CG . LEU A 256 ? 0.8831 1.1422 0.8524 -0.0230 0.0199 0.0572 251 LEU A CG 2001 C CD1 . LEU A 256 ? 0.8840 1.1533 0.8484 -0.0219 0.0184 0.0560 251 LEU A CD1 2002 C CD2 . LEU A 256 ? 0.7309 0.9803 0.7034 -0.0241 0.0170 0.0613 251 LEU A CD2 2003 N N . SER A 257 ? 0.5682 0.8167 0.5508 -0.0146 0.0229 0.0314 252 SER A N 2004 C CA . SER A 257 ? 0.5973 0.8435 0.5831 -0.0128 0.0249 0.0249 252 SER A CA 2005 C C . SER A 257 ? 0.6093 0.8595 0.5964 -0.0111 0.0231 0.0183 252 SER A C 2006 O O . SER A 257 ? 0.6971 0.9492 0.6849 -0.0113 0.0199 0.0184 252 SER A O 2007 C CB . SER A 257 ? 0.5296 0.7647 0.5208 -0.0132 0.0266 0.0247 252 SER A CB 2008 O OG . SER A 257 ? 0.5504 0.7824 0.5451 -0.0119 0.0282 0.0192 252 SER A OG 2009 N N . HIS A 258 ? 0.5779 0.8291 0.5656 -0.0093 0.0246 0.0126 253 HIS A N 2010 C CA . HIS A 258 ? 0.5470 0.7996 0.5372 -0.0077 0.0227 0.0052 253 HIS A CA 2011 C C . HIS A 258 ? 0.6836 0.9280 0.6821 -0.0087 0.0219 0.0038 253 HIS A C 2012 O O . HIS A 258 ? 0.7627 1.0083 0.7646 -0.0084 0.0190 -0.0006 253 HIS A O 2013 C CB . HIS A 258 ? 0.6379 0.8915 0.6281 -0.0053 0.0245 -0.0008 253 HIS A CB 2014 C CG . HIS A 258 ? 0.7655 1.0296 0.7485 -0.0038 0.0254 -0.0012 253 HIS A CG 2015 N ND1 . HIS A 258 ? 0.7726 1.0436 0.7523 -0.0013 0.0243 -0.0082 253 HIS A ND1 2016 C CD2 . HIS A 258 ? 0.8240 1.0935 0.8026 -0.0044 0.0276 0.0043 253 HIS A CD2 2017 C CE1 . HIS A 258 ? 0.7880 1.0686 0.7613 -0.0003 0.0263 -0.0070 253 HIS A CE1 2018 N NE2 . HIS A 258 ? 0.8231 1.1032 0.7961 -0.0024 0.0283 0.0009 253 HIS A NE2 2019 N N . HIS A 259 ? 0.5666 0.8029 0.5683 -0.0098 0.0245 0.0076 254 HIS A N 2020 C CA . HIS A 259 ? 0.6561 0.8851 0.6655 -0.0109 0.0249 0.0072 254 HIS A CA 2021 C C . HIS A 259 ? 0.6480 0.8798 0.6598 -0.0116 0.0220 0.0093 254 HIS A C 2022 O O . HIS A 259 ? 0.6234 0.8527 0.6430 -0.0121 0.0213 0.0074 254 HIS A O 2023 C CB . HIS A 259 ? 0.5629 0.7836 0.5730 -0.0118 0.0286 0.0112 254 HIS A CB 2024 C CG . HIS A 259 ? 0.5281 0.7447 0.5375 -0.0110 0.0310 0.0095 254 HIS A CG 2025 N ND1 . HIS A 259 ? 0.5368 0.7462 0.5517 -0.0113 0.0327 0.0071 254 HIS A ND1 2026 C CD2 . HIS A 259 ? 0.5823 0.8012 0.5868 -0.0100 0.0318 0.0101 254 HIS A CD2 2027 C CE1 . HIS A 259 ? 0.6077 0.8145 0.6207 -0.0102 0.0341 0.0065 254 HIS A CE1 2028 N NE2 . HIS A 259 ? 0.5754 0.7881 0.5824 -0.0092 0.0335 0.0080 254 HIS A NE2 2029 N N . ASN A 260 ? 0.6600 0.8969 0.6656 -0.0118 0.0202 0.0136 255 ASN A N 2030 C CA . ASN A 260 ? 0.6328 0.8723 0.6401 -0.0122 0.0167 0.0165 255 ASN A CA 2031 C C . ASN A 260 ? 0.7182 0.9663 0.7228 -0.0114 0.0122 0.0134 255 ASN A C 2032 O O . ASN A 260 ? 0.6601 0.9132 0.6604 -0.0116 0.0089 0.0173 255 ASN A O 2033 C CB . ASN A 260 ? 0.6059 0.8447 0.6082 -0.0130 0.0169 0.0238 255 ASN A CB 2034 C CG . ASN A 260 ? 0.6801 0.9189 0.6856 -0.0131 0.0135 0.0275 255 ASN A CG 2035 O OD1 . ASN A 260 ? 0.6796 0.9187 0.6923 -0.0125 0.0114 0.0248 255 ASN A OD1 2036 N ND2 . ASN A 260 ? 0.6049 0.8432 0.6060 -0.0140 0.0125 0.0339 255 ASN A ND2 2037 N N . THR A 261 ? 0.6032 0.8527 0.6099 -0.0106 0.0117 0.0064 256 THR A N 2038 C CA . THR A 261 ? 0.6275 0.8848 0.6310 -0.0098 0.0071 0.0021 256 THR A CA 2039 C C . THR A 261 ? 0.6835 0.9391 0.6963 -0.0099 0.0046 -0.0045 256 THR A C 2040 O O . THR A 261 ? 0.7503 0.9988 0.7717 -0.0106 0.0073 -0.0059 256 THR A O 2041 C CB . THR A 261 ? 0.6126 0.8755 0.6069 -0.0083 0.0082 -0.0013 256 THR A CB 2042 O OG1 . THR A 261 ? 0.6788 0.9366 0.6772 -0.0075 0.0112 -0.0067 256 THR A OG1 2043 C CG2 . THR A 261 ? 0.5259 0.7919 0.5121 -0.0087 0.0108 0.0054 256 THR A CG2 2044 N N . ARG A 262 ? 0.6967 0.9589 0.7075 -0.0093 -0.0008 -0.0083 257 ARG A N 2045 C CA . ARG A 262 ? 0.6300 0.8917 0.6494 -0.0097 -0.0043 -0.0154 257 ARG A CA 2046 C C . ARG A 262 ? 0.6021 0.8720 0.6140 -0.0086 -0.0100 -0.0204 257 ARG A C 2047 O O . ARG A 262 ? 0.6843 0.9607 0.6889 -0.0082 -0.0133 -0.0164 257 ARG A O 2048 C CB . ARG A 262 ? 0.7316 0.9910 0.7631 -0.0111 -0.0060 -0.0128 257 ARG A CB 2049 C CG . ARG A 262 ? 0.6396 0.8984 0.6826 -0.0122 -0.0093 -0.0195 257 ARG A CG 2050 C CD . ARG A 262 ? 0.6719 0.9223 0.7258 -0.0137 -0.0041 -0.0198 257 ARG A CD 2051 N NE . ARG A 262 ? 0.7261 0.9761 0.7929 -0.0155 -0.0071 -0.0252 257 ARG A NE 2052 C CZ . ARG A 262 ? 0.7088 0.9533 0.7880 -0.0175 -0.0035 -0.0247 257 ARG A CZ 2053 N NH1 . ARG A 262 ? 0.6998 0.9385 0.7788 -0.0177 0.0032 -0.0194 257 ARG A NH1 2054 N NH2 . ARG A 262 ? 0.7844 1.0294 0.8761 -0.0196 -0.0067 -0.0294 257 ARG A NH2 2055 N N . GLU A 263 ? 0.5284 0.7978 0.5417 -0.0080 -0.0114 -0.0291 258 GLU A N 2056 C CA . GLU A 263 ? 0.5844 0.8611 0.5899 -0.0067 -0.0170 -0.0355 258 GLU A CA 2057 C C . GLU A 263 ? 0.6968 0.9784 0.7053 -0.0077 -0.0241 -0.0344 258 GLU A C 2058 O O . GLU A 263 ? 0.6501 0.9283 0.6720 -0.0094 -0.0258 -0.0337 258 GLU A O 2059 C CB . GLU A 263 ? 0.5902 0.8634 0.5999 -0.0061 -0.0179 -0.0459 258 GLU A CB 2060 C CG . GLU A 263 ? 0.6727 0.9410 0.6801 -0.0045 -0.0116 -0.0477 258 GLU A CG 2061 C CD . GLU A 263 ? 0.8468 1.1098 0.8602 -0.0039 -0.0129 -0.0576 258 GLU A CD 2062 O OE1 . GLU A 263 ? 0.8720 1.1341 0.8927 -0.0054 -0.0184 -0.0628 258 GLU A OE1 2063 O OE2 . GLU A 263 ? 0.9380 1.1975 0.9495 -0.0019 -0.0088 -0.0602 258 GLU A OE2 2064 N N . GLY A 264 ? 0.6881 0.9781 0.6842 -0.0065 -0.0282 -0.0337 259 GLY A N 2065 C CA . GLY A 264 ? 0.6439 0.9392 0.6412 -0.0071 -0.0360 -0.0325 259 GLY A CA 2066 C C . GLY A 264 ? 0.7369 1.0330 0.7354 -0.0077 -0.0362 -0.0217 259 GLY A C 2067 O O . GLY A 264 ? 0.7659 1.0659 0.7671 -0.0079 -0.0428 -0.0195 259 GLY A O 2068 N N . TYR A 265 ? 0.6320 0.9241 0.6288 -0.0078 -0.0294 -0.0150 260 TYR A N 2069 C CA . TYR A 265 ? 0.6823 0.9736 0.6806 -0.0083 -0.0294 -0.0050 260 TYR A CA 2070 C C . TYR A 265 ? 0.6223 0.9139 0.6093 -0.0083 -0.0245 0.0019 260 TYR A C 2071 O O . TYR A 265 ? 0.6572 0.9465 0.6412 -0.0081 -0.0185 0.0000 260 TYR A O 2072 C CB . TYR A 265 ? 0.6637 0.9473 0.6780 -0.0092 -0.0266 -0.0034 260 TYR A CB 2073 C CG . TYR A 265 ? 0.6129 0.8969 0.6408 -0.0098 -0.0312 -0.0090 260 TYR A CG 2074 C CD1 . TYR A 265 ? 0.5382 0.8263 0.5721 -0.0096 -0.0379 -0.0066 260 TYR A CD1 2075 C CD2 . TYR A 265 ? 0.6365 0.9167 0.6719 -0.0107 -0.0291 -0.0165 260 TYR A CD2 2076 C CE1 . TYR A 265 ? 0.5973 0.8868 0.6450 -0.0104 -0.0423 -0.0117 260 TYR A CE1 2077 C CE2 . TYR A 265 ? 0.6162 0.8970 0.6651 -0.0118 -0.0333 -0.0214 260 TYR A CE2 2078 C CZ . TYR A 265 ? 0.6229 0.9089 0.6783 -0.0117 -0.0398 -0.0191 260 TYR A CZ 2079 O OH . TYR A 265 ? 0.6063 0.8938 0.6765 -0.0131 -0.0442 -0.0239 260 TYR A OH 2080 N N . ARG A 266 ? 0.6745 0.9691 0.6561 -0.0085 -0.0273 0.0101 261 ARG A N 2081 C CA . ARG A 266 ? 0.7326 1.0274 0.7053 -0.0091 -0.0233 0.0180 261 ARG A CA 2082 C C . ARG A 266 ? 0.8219 1.1099 0.8024 -0.0099 -0.0226 0.0260 261 ARG A C 2083 O O . ARG A 266 ? 0.8290 1.1117 0.8223 -0.0096 -0.0231 0.0244 261 ARG A O 2084 C CB . ARG A 266 ? 0.7816 1.0858 0.7393 -0.0091 -0.0268 0.0215 261 ARG A CB 2085 C CG . ARG A 266 ? 0.8536 1.1642 0.7991 -0.0085 -0.0229 0.0171 261 ARG A CG 2086 C CD . ARG A 266 ? 0.7333 1.0405 0.6848 -0.0073 -0.0196 0.0067 261 ARG A CD 2087 N NE . ARG A 266 ? 0.6514 0.9660 0.5925 -0.0057 -0.0192 -0.0008 261 ARG A NE 2088 C CZ . ARG A 266 ? 0.6249 0.9373 0.5698 -0.0043 -0.0178 -0.0109 261 ARG A CZ 2089 N NH1 . ARG A 266 ? 0.7748 1.0939 0.7097 -0.0023 -0.0176 -0.0180 261 ARG A NH1 2090 N NH2 . ARG A 266 ? 0.7450 1.0483 0.7037 -0.0047 -0.0165 -0.0138 261 ARG A NH2 2091 N N . THR A 267 ? 0.7679 1.0562 0.7411 -0.0109 -0.0214 0.0345 262 THR A N 2092 C CA . THR A 267 ? 0.6649 0.9456 0.6447 -0.0115 -0.0205 0.0417 262 THR A CA 2093 C C . THR A 267 ? 0.7027 0.9822 0.6908 -0.0105 -0.0268 0.0443 262 THR A C 2094 O O . THR A 267 ? 0.7738 1.0593 0.7569 -0.0101 -0.0331 0.0467 262 THR A O 2095 C CB . THR A 267 ? 0.7005 0.9820 0.6707 -0.0133 -0.0190 0.0507 262 THR A CB 2096 O OG1 . THR A 267 ? 0.8192 1.1083 0.7782 -0.0138 -0.0160 0.0487 262 THR A OG1 2097 C CG2 . THR A 267 ? 0.6086 0.8808 0.5846 -0.0143 -0.0143 0.0541 262 THR A CG2 2098 N N . GLN A 268 ? 0.6998 0.9717 0.7006 -0.0099 -0.0250 0.0439 263 GLN A N 2099 C CA . GLN A 268 ? 0.7334 1.0039 0.7444 -0.0084 -0.0303 0.0463 263 GLN A CA 2100 C C . GLN A 268 ? 0.7234 0.9891 0.7331 -0.0084 -0.0317 0.0557 263 GLN A C 2101 O O . GLN A 268 ? 0.6923 0.9507 0.7119 -0.0074 -0.0304 0.0572 263 GLN A O 2102 C CB . GLN A 268 ? 0.7036 0.9692 0.7297 -0.0074 -0.0272 0.0408 263 GLN A CB 2103 C CG . GLN A 268 ? 0.7552 1.0238 0.7841 -0.0079 -0.0256 0.0318 263 GLN A CG 2104 C CD . GLN A 268 ? 0.7647 1.0418 0.7926 -0.0074 -0.0330 0.0284 263 GLN A CD 2105 O OE1 . GLN A 268 ? 0.8199 1.0997 0.8542 -0.0063 -0.0392 0.0307 263 GLN A OE1 2106 N NE2 . GLN A 268 ? 0.7064 0.9877 0.7263 -0.0081 -0.0327 0.0227 263 GLN A NE2 2107 N N . MET A 269 ? 0.6754 0.9449 0.6726 -0.0097 -0.0342 0.0620 264 MET A N 2108 C CA . MET A 269 ? 0.6951 0.9599 0.6903 -0.0104 -0.0361 0.0718 264 MET A CA 2109 C C . MET A 269 ? 0.7236 0.9851 0.7299 -0.0079 -0.0422 0.0747 264 MET A C 2110 O O . MET A 269 ? 0.7913 1.0447 0.8033 -0.0074 -0.0420 0.0795 264 MET A O 2111 C CB . MET A 269 ? 0.5807 0.8523 0.5609 -0.0124 -0.0387 0.0784 264 MET A CB 2112 C CG . MET A 269 ? 0.7424 1.0184 0.7121 -0.0145 -0.0325 0.0762 264 MET A CG 2113 S SD . MET A 269 ? 0.8228 1.0897 0.7951 -0.0165 -0.0252 0.0789 264 MET A SD 2114 C CE . MET A 269 ? 0.5685 0.8308 0.5384 -0.0184 -0.0296 0.0919 264 MET A CE 2115 N N . LYS A 270 ? 0.6673 0.9353 0.6773 -0.0063 -0.0478 0.0713 265 LYS A N 2116 C CA . LYS A 270 ? 0.7426 1.0093 0.7644 -0.0036 -0.0543 0.0737 265 LYS A CA 2117 C C . LYS A 270 ? 0.6745 0.9403 0.7127 -0.0015 -0.0524 0.0656 265 LYS A C 2118 O O . LYS A 270 ? 0.7327 1.0031 0.7802 0.0004 -0.0583 0.0638 265 LYS A O 2119 C CB . LYS A 270 ? 0.8228 1.0980 0.8382 -0.0031 -0.0634 0.0768 265 LYS A CB 2120 C CG . LYS A 270 ? 0.7805 1.0575 0.7792 -0.0053 -0.0653 0.0858 265 LYS A CG 2121 C CD . LYS A 270 ? 0.8649 1.1504 0.8561 -0.0048 -0.0746 0.0889 265 LYS A CD 2122 C CE . LYS A 270 ? 0.9006 1.1890 0.8738 -0.0074 -0.0756 0.0981 265 LYS A CE 2123 N NZ . LYS A 270 ? 1.0372 1.3339 1.0011 -0.0068 -0.0847 0.1015 265 LYS A NZ 2124 N N . GLY A 271 ? 0.6632 0.9235 0.7050 -0.0022 -0.0441 0.0612 266 GLY A N 2125 C CA . GLY A 271 ? 0.6178 0.8767 0.6749 -0.0007 -0.0409 0.0546 266 GLY A CA 2126 C C . GLY A 271 ? 0.5779 0.8309 0.6477 0.0022 -0.0417 0.0577 266 GLY A C 2127 O O . GLY A 271 ? 0.5974 0.8456 0.6636 0.0029 -0.0443 0.0649 266 GLY A O 2128 N N . PRO A 272 ? 0.5850 0.8384 0.6703 0.0041 -0.0394 0.0524 267 PRO A N 2129 C CA . PRO A 272 ? 0.6308 0.8796 0.7297 0.0075 -0.0395 0.0542 267 PRO A CA 2130 C C . PRO A 272 ? 0.6741 0.9121 0.7704 0.0077 -0.0325 0.0555 267 PRO A C 2131 O O . PRO A 272 ? 0.6844 0.9192 0.7903 0.0091 -0.0264 0.0512 267 PRO A O 2132 C CB . PRO A 272 ? 0.5860 0.8402 0.7013 0.0087 -0.0376 0.0473 267 PRO A CB 2133 C CG . PRO A 272 ? 0.5993 0.8555 0.7082 0.0052 -0.0325 0.0417 267 PRO A CG 2134 C CD . PRO A 272 ? 0.5973 0.8556 0.6886 0.0029 -0.0362 0.0444 267 PRO A CD 2135 N N . TRP A 273 ? 0.6986 0.9314 0.7821 0.0061 -0.0334 0.0613 268 TRP A N 2136 C CA . TRP A 273 ? 0.6638 0.8864 0.7428 0.0055 -0.0274 0.0623 268 TRP A CA 2137 C C . TRP A 273 ? 0.7322 0.9467 0.8201 0.0090 -0.0288 0.0651 268 TRP A C 2138 O O . TRP A 273 ? 0.7510 0.9560 0.8349 0.0086 -0.0254 0.0665 268 TRP A O 2139 C CB . TRP A 273 ? 0.5881 0.8090 0.6508 0.0018 -0.0276 0.0673 268 TRP A CB 2140 C CG . TRP A 273 ? 0.6129 0.8420 0.6659 -0.0011 -0.0268 0.0647 268 TRP A CG 2141 C CD1 . TRP A 273 ? 0.6528 0.8878 0.6947 -0.0030 -0.0311 0.0689 268 TRP A CD1 2142 C CD2 . TRP A 273 ? 0.5846 0.8166 0.6383 -0.0021 -0.0211 0.0573 268 TRP A CD2 2143 N NE1 . TRP A 273 ? 0.6759 0.9175 0.7117 -0.0048 -0.0285 0.0638 268 TRP A NE1 2144 C CE2 . TRP A 273 ? 0.6516 0.8910 0.6949 -0.0043 -0.0227 0.0567 268 TRP A CE2 2145 C CE3 . TRP A 273 ? 0.5401 0.7691 0.6021 -0.0014 -0.0149 0.0512 268 TRP A CE3 2146 C CZ2 . TRP A 273 ? 0.6511 0.8939 0.6928 -0.0056 -0.0187 0.0501 268 TRP A CZ2 2147 C CZ3 . TRP A 273 ? 0.5985 0.8311 0.6586 -0.0031 -0.0110 0.0456 268 TRP A CZ3 2148 C CH2 . TRP A 273 ? 0.5426 0.7816 0.5931 -0.0050 -0.0131 0.0448 268 TRP A CH2 2149 N N . HIS A 274 ? 0.8039 1.0220 0.9042 0.0125 -0.0342 0.0657 269 HIS A N 2150 C CA . HIS A 274 ? 0.7702 0.9810 0.8813 0.0168 -0.0356 0.0673 269 HIS A CA 2151 C C . HIS A 274 ? 0.7770 0.9874 0.9010 0.0196 -0.0283 0.0598 269 HIS A C 2152 O O . HIS A 274 ? 0.8254 1.0291 0.9579 0.0234 -0.0269 0.0591 269 HIS A O 2153 C CB . HIS A 274 ? 0.7380 0.9531 0.8571 0.0198 -0.0454 0.0722 269 HIS A CB 2154 C CG . HIS A 274 ? 1.0056 1.2325 1.1357 0.0211 -0.0479 0.0679 269 HIS A CG 2155 N ND1 . HIS A 274 ? 0.9860 1.2221 1.1089 0.0178 -0.0498 0.0664 269 HIS A ND1 2156 C CD2 . HIS A 274 ? 1.0546 1.2858 1.2033 0.0254 -0.0490 0.0645 269 HIS A CD2 2157 C CE1 . HIS A 274 ? 0.9493 1.1943 1.0857 0.0196 -0.0524 0.0623 269 HIS A CE1 2158 N NE2 . HIS A 274 ? 1.0060 1.2488 1.1586 0.0241 -0.0519 0.0614 269 HIS A NE2 2159 N N . SER A 275 ? 0.6739 0.8913 0.7989 0.0176 -0.0236 0.0541 270 SER A N 2160 C CA . SER A 275 ? 0.6825 0.9011 0.8192 0.0194 -0.0160 0.0474 270 SER A CA 2161 C C . SER A 275 ? 0.6928 0.9008 0.8238 0.0194 -0.0080 0.0454 270 SER A C 2162 O O . SER A 275 ? 0.6872 0.8891 0.8037 0.0164 -0.0069 0.0477 270 SER A O 2163 C CB . SER A 275 ? 0.6864 0.9138 0.8239 0.0163 -0.0132 0.0428 270 SER A CB 2164 O OG . SER A 275 ? 0.8300 1.0670 0.9721 0.0161 -0.0211 0.0438 270 SER A OG 2165 N N . GLU A 276 ? 0.8848 1.0916 1.0275 0.0229 -0.0025 0.0410 271 GLU A N 2166 C CA . GLU A 276 ? 0.8469 1.0442 0.9841 0.0233 0.0054 0.0381 271 GLU A CA 2167 C C . GLU A 276 ? 0.8373 1.0360 0.9660 0.0191 0.0125 0.0348 271 GLU A C 2168 O O . GLU A 276 ? 0.9110 1.1018 1.0297 0.0179 0.0178 0.0336 271 GLU A O 2169 C CB . GLU A 276 ? 0.7915 0.9881 0.9435 0.0287 0.0097 0.0340 271 GLU A CB 2170 C CG . GLU A 276 ? 0.8823 1.0761 1.0440 0.0337 0.0028 0.0369 271 GLU A CG 2171 C CD . GLU A 276 ? 1.0850 1.2652 1.2360 0.0341 0.0005 0.0401 271 GLU A CD 2172 O OE1 . GLU A 276 ? 1.0894 1.2622 1.2277 0.0314 0.0057 0.0385 271 GLU A OE1 2173 O OE2 . GLU A 276 ? 1.0979 1.2744 1.2536 0.0370 -0.0070 0.0444 271 GLU A OE2 2174 N N . GLU A 277 ? 0.6315 0.8401 0.7647 0.0170 0.0121 0.0333 272 GLU A N 2175 C CA . GLU A 277 ? 0.6291 0.8394 0.7571 0.0133 0.0185 0.0300 272 GLU A CA 2176 C C . GLU A 277 ? 0.6416 0.8619 0.7730 0.0107 0.0147 0.0294 272 GLU A C 2177 O O . GLU A 277 ? 0.6441 0.8718 0.7873 0.0124 0.0094 0.0296 272 GLU A O 2178 C CB . GLU A 277 ? 0.6201 0.8300 0.7566 0.0150 0.0275 0.0255 272 GLU A CB 2179 C CG . GLU A 277 ? 0.7597 0.9704 0.8914 0.0112 0.0344 0.0228 272 GLU A CG 2180 C CD . GLU A 277 ? 0.8698 1.0806 1.0093 0.0128 0.0436 0.0191 272 GLU A CD 2181 O OE1 . GLU A 277 ? 0.8230 1.0331 0.9713 0.0172 0.0450 0.0180 272 GLU A OE1 2182 O OE2 . GLU A 277 ? 0.8821 1.0935 1.0190 0.0098 0.0496 0.0174 272 GLU A OE2 2183 N N . LEU A 278 ? 0.5668 0.7869 0.6880 0.0068 0.0168 0.0284 273 LEU A N 2184 C CA . LEU A 278 ? 0.5972 0.8254 0.7200 0.0042 0.0131 0.0270 273 LEU A CA 2185 C C . LEU A 278 ? 0.6839 0.9118 0.8039 0.0010 0.0192 0.0235 273 LEU A C 2186 O O . LEU A 278 ? 0.6822 0.9031 0.7923 -0.0002 0.0246 0.0237 273 LEU A O 2187 C CB . LEU A 278 ? 0.6423 0.8713 0.7529 0.0029 0.0060 0.0306 273 LEU A CB 2188 C CG . LEU A 278 ? 0.6988 0.9308 0.8121 0.0052 -0.0025 0.0347 273 LEU A CG 2189 C CD1 . LEU A 278 ? 0.5952 0.8276 0.6935 0.0032 -0.0076 0.0386 273 LEU A CD1 2190 C CD2 . LEU A 278 ? 0.7301 0.9716 0.8582 0.0064 -0.0071 0.0325 273 LEU A CD2 2191 N N . GLU A 279 ? 0.5874 0.8227 0.7165 -0.0006 0.0178 0.0205 274 GLU A N 2192 C CA . GLU A 279 ? 0.6464 0.8814 0.7721 -0.0041 0.0215 0.0176 274 GLU A CA 2193 C C . GLU A 279 ? 0.7035 0.9440 0.8258 -0.0058 0.0144 0.0163 274 GLU A C 2194 O O . GLU A 279 ? 0.7014 0.9494 0.8349 -0.0061 0.0100 0.0140 274 GLU A O 2195 C CB . GLU A 279 ? 0.6348 0.8726 0.7747 -0.0051 0.0273 0.0146 274 GLU A CB 2196 C CG . GLU A 279 ? 0.7149 0.9509 0.8517 -0.0089 0.0308 0.0122 274 GLU A CG 2197 C CD . GLU A 279 ? 0.9025 1.1426 1.0550 -0.0107 0.0353 0.0098 274 GLU A CD 2198 O OE1 . GLU A 279 ? 0.9879 1.2325 1.1536 -0.0088 0.0371 0.0099 274 GLU A OE1 2199 O OE2 . GLU A 279 ? 0.8836 1.1226 1.0360 -0.0140 0.0371 0.0080 274 GLU A OE2 2200 N N . ILE A 280 ? 0.6082 0.8455 0.7153 -0.0069 0.0132 0.0174 275 ILE A N 2201 C CA . ILE A 280 ? 0.6505 0.8926 0.7524 -0.0084 0.0076 0.0153 275 ILE A CA 2202 C C . ILE A 280 ? 0.6017 0.8445 0.7093 -0.0109 0.0103 0.0103 275 ILE A C 2203 O O . ILE A 280 ? 0.6291 0.8659 0.7325 -0.0122 0.0164 0.0097 275 ILE A O 2204 C CB . ILE A 280 ? 0.6047 0.8441 0.6896 -0.0088 0.0068 0.0176 275 ILE A CB 2205 C CG1 . ILE A 280 ? 0.5087 0.7470 0.5884 -0.0069 0.0036 0.0233 275 ILE A CG1 2206 C CG2 . ILE A 280 ? 0.5597 0.8047 0.6391 -0.0099 0.0018 0.0145 275 ILE A CG2 2207 C CD1 . ILE A 280 ? 0.5569 0.7930 0.6211 -0.0077 0.0034 0.0264 275 ILE A CD1 2208 N N . ARG A 281 ? 0.6961 0.9458 0.8135 -0.0117 0.0053 0.0069 276 ARG A N 2209 C CA . ARG A 281 ? 0.7664 1.0167 0.8920 -0.0144 0.0069 0.0022 276 ARG A CA 2210 C C . ARG A 281 ? 0.7724 1.0285 0.8971 -0.0153 -0.0010 -0.0021 276 ARG A C 2211 O O . ARG A 281 ? 0.7926 1.0547 0.9167 -0.0138 -0.0080 -0.0014 276 ARG A O 2212 C CB . ARG A 281 ? 0.8108 1.0639 0.9548 -0.0149 0.0100 0.0018 276 ARG A CB 2213 C CG . ARG A 281 ? 0.9850 1.2361 1.1374 -0.0183 0.0148 -0.0012 276 ARG A CG 2214 C CD . ARG A 281 ? 0.9864 1.2383 1.1528 -0.0185 0.0216 0.0004 276 ARG A CD 2215 N NE . ARG A 281 ? 1.0765 1.3378 1.2609 -0.0183 0.0176 -0.0009 276 ARG A NE 2216 C CZ . ARG A 281 ? 1.1593 1.4241 1.3576 -0.0173 0.0223 0.0006 276 ARG A CZ 2217 N NH1 . ARG A 281 ? 1.0926 1.3519 1.2873 -0.0165 0.0313 0.0031 276 ARG A NH1 2218 N NH2 . ARG A 281 ? 1.1582 1.4325 1.3740 -0.0170 0.0179 -0.0007 276 ARG A NH2 2219 N N . PHE A 282 ? 0.6464 0.9003 0.7704 -0.0176 0.0000 -0.0066 277 PHE A N 2220 C CA . PHE A 282 ? 0.6620 0.9207 0.7860 -0.0185 -0.0074 -0.0121 277 PHE A CA 2221 C C . PHE A 282 ? 0.7028 0.9648 0.8453 -0.0211 -0.0091 -0.0159 277 PHE A C 2222 O O . PHE A 282 ? 0.6952 0.9531 0.8429 -0.0237 -0.0062 -0.0191 277 PHE A O 2223 C CB . PHE A 282 ? 0.6390 0.8931 0.7503 -0.0189 -0.0063 -0.0154 277 PHE A CB 2224 C CG . PHE A 282 ? 0.6987 0.9529 0.7926 -0.0166 -0.0067 -0.0125 277 PHE A CG 2225 C CD1 . PHE A 282 ? 0.6079 0.8562 0.6941 -0.0159 -0.0003 -0.0079 277 PHE A CD1 2226 C CD2 . PHE A 282 ? 0.6838 0.9443 0.7692 -0.0154 -0.0136 -0.0141 277 PHE A CD2 2227 C CE1 . PHE A 282 ? 0.6223 0.8712 0.6940 -0.0143 -0.0007 -0.0048 277 PHE A CE1 2228 C CE2 . PHE A 282 ? 0.6246 0.8860 0.6946 -0.0137 -0.0135 -0.0107 277 PHE A CE2 2229 C CZ . PHE A 282 ? 0.6247 0.8804 0.6886 -0.0133 -0.0070 -0.0060 277 PHE A CZ 2230 N N . GLU A 283 ? 0.6452 0.9146 0.7983 -0.0203 -0.0140 -0.0151 278 GLU A N 2231 C CA . GLU A 283 ? 0.6250 0.8994 0.7983 -0.0227 -0.0158 -0.0177 278 GLU A CA 2232 C C . GLU A 283 ? 0.6412 0.9248 0.8220 -0.0207 -0.0238 -0.0167 278 GLU A C 2233 O O . GLU A 283 ? 0.5841 0.8685 0.7602 -0.0175 -0.0238 -0.0118 278 GLU A O 2234 C CB . GLU A 283 ? 0.6381 0.9093 0.8230 -0.0239 -0.0063 -0.0147 278 GLU A CB 2235 C CG . GLU A 283 ? 0.5909 0.8690 0.7988 -0.0262 -0.0070 -0.0162 278 GLU A CG 2236 C CD . GLU A 283 ? 0.7716 1.0472 0.9891 -0.0272 0.0035 -0.0128 278 GLU A CD 2237 O OE1 . GLU A 283 ? 0.9292 1.2104 1.1661 -0.0297 0.0048 -0.0137 278 GLU A OE1 2238 O OE2 . GLU A 283 ? 0.8548 1.1233 1.0603 -0.0256 0.0105 -0.0093 278 GLU A OE2 2239 N N . GLU A 284 ? 0.6885 0.9786 0.8811 -0.0227 -0.0311 -0.0214 279 GLU A N 2240 C CA . GLU A 284 ? 0.7098 1.0092 0.9101 -0.0210 -0.0401 -0.0208 279 GLU A CA 2241 C C . GLU A 284 ? 0.6261 0.9291 0.8405 -0.0188 -0.0366 -0.0157 279 GLU A C 2242 O O . GLU A 284 ? 0.6308 0.9324 0.8578 -0.0203 -0.0286 -0.0150 279 GLU A O 2243 C CB . GLU A 284 ? 0.6978 1.0035 0.9112 -0.0241 -0.0480 -0.0273 279 GLU A CB 2244 C CG . GLU A 284 ? 0.8660 1.1708 1.0642 -0.0247 -0.0553 -0.0330 279 GLU A CG 2245 C CD . GLU A 284 ? 0.9523 1.2608 1.1633 -0.0285 -0.0622 -0.0405 279 GLU A CD 2246 O OE1 . GLU A 284 ? 0.9391 1.2502 1.1407 -0.0283 -0.0712 -0.0456 279 GLU A OE1 2247 O OE2 . GLU A 284 ? 1.0201 1.3289 1.2504 -0.0318 -0.0586 -0.0414 279 GLU A OE2 2248 N N . CYS A 285 ? 0.4534 0.7605 0.6651 -0.0152 -0.0423 -0.0120 280 CYS A N 2249 C CA . CYS A 285 ? 0.4533 0.7647 0.6803 -0.0124 -0.0409 -0.0079 280 CYS A CA 2250 C C . CYS A 285 ? 0.5249 0.8454 0.7768 -0.0146 -0.0436 -0.0113 280 CYS A C 2251 O O . CYS A 285 ? 0.4889 0.8147 0.7446 -0.0168 -0.0522 -0.0157 280 CYS A O 2252 C CB . CYS A 285 ? 0.3883 0.7025 0.6083 -0.0082 -0.0487 -0.0034 280 CYS A CB 2253 S SG . CYS A 285 ? 0.7462 1.0506 0.9409 -0.0057 -0.0449 0.0022 280 CYS A SG 2254 N N . PRO A 286 ? 0.6908 1.0134 0.9597 -0.0140 -0.0361 -0.0094 281 PRO A N 2255 C CA . PRO A 286 ? 0.6417 0.9739 0.9365 -0.0163 -0.0371 -0.0120 281 PRO A CA 2256 C C . PRO A 286 ? 0.6124 0.9552 0.9179 -0.0149 -0.0501 -0.0131 281 PRO A C 2257 O O . PRO A 286 ? 0.5730 0.9183 0.8771 -0.0102 -0.0546 -0.0093 281 PRO A O 2258 C CB . PRO A 286 ? 0.6234 0.9565 0.9306 -0.0138 -0.0269 -0.0085 281 PRO A CB 2259 C CG . PRO A 286 ? 0.5783 0.9033 0.8671 -0.0092 -0.0241 -0.0041 281 PRO A CG 2260 C CD . PRO A 286 ? 0.6897 1.0062 0.9544 -0.0110 -0.0262 -0.0050 281 PRO A CD 2261 N N . GLY A 287 ? 0.5773 0.9257 0.8929 -0.0192 -0.0567 -0.0183 282 GLY A N 2262 C CA . GLY A 287 ? 0.6299 0.9888 0.9560 -0.0185 -0.0699 -0.0200 282 GLY A CA 2263 C C . GLY A 287 ? 0.6186 0.9753 0.9229 -0.0175 -0.0806 -0.0213 282 GLY A C 2264 O O . GLY A 287 ? 0.6739 1.0384 0.9822 -0.0159 -0.0923 -0.0214 282 GLY A O 2265 N N . THR A 288 ? 0.6426 0.9893 0.9238 -0.0183 -0.0765 -0.0220 283 THR A N 2266 C CA . THR A 288 ? 0.5906 0.9355 0.8496 -0.0174 -0.0850 -0.0234 283 THR A CA 2267 C C . THR A 288 ? 0.5827 0.9220 0.8307 -0.0214 -0.0844 -0.0301 283 THR A C 2268 O O . THR A 288 ? 0.6193 0.9529 0.8718 -0.0243 -0.0754 -0.0319 283 THR A O 2269 C CB . THR A 288 ? 0.5719 0.9104 0.8099 -0.0133 -0.0817 -0.0170 283 THR A CB 2270 O OG1 . THR A 288 ? 0.5967 0.9252 0.8241 -0.0144 -0.0701 -0.0166 283 THR A OG1 2271 C CG2 . THR A 288 ? 0.5967 0.9384 0.8455 -0.0090 -0.0813 -0.0104 283 THR A CG2 2272 N N . LYS A 289 ? 0.6815 1.0223 0.9149 -0.0213 -0.0940 -0.0338 284 LYS A N 2273 C CA . LYS A 289 ? 0.7681 1.1033 0.9884 -0.0241 -0.0942 -0.0408 284 LYS A CA 2274 C C . LYS A 289 ? 0.8192 1.1532 1.0128 -0.0213 -0.0989 -0.0405 284 LYS A C 2275 O O . LYS A 289 ? 0.8379 1.1785 1.0269 -0.0192 -0.1083 -0.0386 284 LYS A O 2276 C CB . LYS A 289 ? 0.8550 1.1951 1.0902 -0.0281 -0.1023 -0.0489 284 LYS A CB 2277 C CG . LYS A 289 ? 0.9754 1.3138 1.2332 -0.0324 -0.0953 -0.0506 284 LYS A CG 2278 C CD . LYS A 289 ? 1.0409 1.3898 1.3242 -0.0350 -0.1035 -0.0531 284 LYS A CD 2279 C CE . LYS A 289 ? 1.0266 1.3842 1.3203 -0.0312 -0.1057 -0.0463 284 LYS A CE 2280 N NZ . LYS A 289 ? 1.0460 1.4154 1.3637 -0.0330 -0.1157 -0.0488 284 LYS A NZ 2281 N N . VAL A 290 ? 0.7664 1.0924 0.9428 -0.0214 -0.0923 -0.0421 285 VAL A N 2282 C CA . VAL A 290 ? 0.7546 1.0799 0.9055 -0.0190 -0.0951 -0.0417 285 VAL A CA 2283 C C . VAL A 290 ? 0.7128 1.0373 0.8539 -0.0207 -0.1000 -0.0515 285 VAL A C 2284 O O . VAL A 290 ? 0.6684 0.9874 0.8158 -0.0233 -0.0958 -0.0573 285 VAL A O 2285 C CB . VAL A 290 ? 0.7407 1.0586 0.8777 -0.0172 -0.0844 -0.0359 285 VAL A CB 2286 C CG1 . VAL A 290 ? 0.7344 1.0535 0.8468 -0.0148 -0.0873 -0.0338 285 VAL A CG1 2287 C CG2 . VAL A 290 ? 0.6252 0.9422 0.7732 -0.0158 -0.0788 -0.0275 285 VAL A CG2 2288 N N . HIS A 291 ? 0.8854 1.2152 1.0108 -0.0190 -0.1088 -0.0534 286 HIS A N 2289 C CA . HIS A 291 ? 0.8690 1.1986 0.9832 -0.0199 -0.1139 -0.0635 286 HIS A CA 2290 C C . HIS A 291 ? 0.8966 1.2250 0.9835 -0.0172 -0.1114 -0.0629 286 HIS A C 2291 O O . HIS A 291 ? 0.8744 1.2074 0.9485 -0.0148 -0.1140 -0.0563 286 HIS A O 2292 C CB . HIS A 291 ? 0.9312 1.2690 1.0505 -0.0208 -0.1278 -0.0686 286 HIS A CB 2293 C CG . HIS A 291 ? 1.0455 1.3863 1.1930 -0.0237 -0.1311 -0.0693 286 HIS A CG 2294 N ND1 . HIS A 291 ? 0.9632 1.3106 1.1240 -0.0227 -0.1347 -0.0620 286 HIS A ND1 2295 C CD2 . HIS A 291 ? 0.9949 1.3331 1.1607 -0.0277 -0.1310 -0.0761 286 HIS A CD2 2296 C CE1 . HIS A 291 ? 0.9637 1.3137 1.1501 -0.0258 -0.1364 -0.0646 286 HIS A CE1 2297 N NE2 . HIS A 291 ? 0.9987 1.3431 1.1885 -0.0292 -0.1342 -0.0728 286 HIS A NE2 2298 N N . VAL A 292 ? 0.7997 1.1221 0.8785 -0.0175 -0.1063 -0.0696 287 VAL A N 2299 C CA . VAL A 292 ? 0.8332 1.1559 0.8874 -0.0148 -0.1039 -0.0706 287 VAL A CA 2300 C C . VAL A 292 ? 0.8502 1.1803 0.8908 -0.0139 -0.1150 -0.0768 287 VAL A C 2301 O O . VAL A 292 ? 0.7932 1.1224 0.8341 -0.0149 -0.1199 -0.0879 287 VAL A O 2302 C CB . VAL A 292 ? 0.7423 1.0569 0.7929 -0.0149 -0.0958 -0.0767 287 VAL A CB 2303 C CG1 . VAL A 292 ? 0.7432 1.0598 0.7692 -0.0119 -0.0933 -0.0781 287 VAL A CG1 2304 C CG2 . VAL A 292 ? 0.6913 0.9985 0.7535 -0.0159 -0.0851 -0.0702 287 VAL A CG2 2305 N N . GLU A 293 ? 0.8483 1.1853 0.8768 -0.0120 -0.1194 -0.0696 288 GLU A N 2306 C CA . GLU A 293 ? 0.8651 1.2099 0.8794 -0.0111 -0.1305 -0.0741 288 GLU A CA 2307 C C . GLU A 293 ? 0.8828 1.2321 0.8717 -0.0084 -0.1287 -0.0678 288 GLU A C 2308 O O . GLU A 293 ? 0.9086 1.2586 0.8960 -0.0076 -0.1254 -0.0561 288 GLU A O 2309 C CB . GLU A 293 ? 0.9370 1.2875 0.9655 -0.0121 -0.1414 -0.0715 288 GLU A CB 2310 C CG . GLU A 293 ? 0.9590 1.3069 1.0140 -0.0153 -0.1438 -0.0774 288 GLU A CG 2311 C CD . GLU A 293 ? 1.0286 1.3836 1.0994 -0.0161 -0.1544 -0.0744 288 GLU A CD 2312 O OE1 . GLU A 293 ? 0.9416 1.3010 1.0085 -0.0141 -0.1567 -0.0645 288 GLU A OE1 2313 O OE2 . GLU A 293 ? 1.1360 1.4920 1.2239 -0.0189 -0.1608 -0.0819 288 GLU A OE2 2314 N N . GLU A 294 ? 0.9946 1.3472 0.9637 -0.0070 -0.1310 -0.0756 289 GLU A N 2315 C CA . GLU A 294 ? 1.0921 1.4503 1.0359 -0.0047 -0.1293 -0.0703 289 GLU A CA 2316 C C . GLU A 294 ? 1.0605 1.4265 0.9975 -0.0043 -0.1393 -0.0624 289 GLU A C 2317 O O . GLU A 294 ? 1.0449 1.4159 0.9624 -0.0029 -0.1385 -0.0551 289 GLU A O 2318 C CB . GLU A 294 ? 1.0290 1.3894 0.9537 -0.0030 -0.1291 -0.0819 289 GLU A CB 2319 C CG . GLU A 294 ? 1.1186 1.4722 1.0447 -0.0023 -0.1177 -0.0872 289 GLU A CG 2320 C CD . GLU A 294 ? 1.3102 1.6648 1.2230 -0.0005 -0.1191 -0.1016 289 GLU A CD 2321 O OE1 . GLU A 294 ? 1.1580 1.5122 1.0592 0.0018 -0.1102 -0.1036 289 GLU A OE1 2322 O OE2 . GLU A 294 ? 1.3503 1.7060 1.2649 -0.0011 -0.1292 -0.1113 289 GLU A OE2 2323 N N . THR A 295 ? 0.9207 1.2878 0.8747 -0.0057 -0.1489 -0.0634 290 THR A N 2324 C CA . THR A 295 ? 0.8885 1.2628 0.8393 -0.0052 -0.1598 -0.0562 290 THR A CA 2325 C C . THR A 295 ? 0.8690 1.2412 0.8340 -0.0051 -0.1571 -0.0426 290 THR A C 2326 O O . THR A 295 ? 0.8424 1.2193 0.8075 -0.0043 -0.1656 -0.0349 290 THR A O 2327 C CB . THR A 295 ? 0.8189 1.1968 0.7811 -0.0064 -0.1730 -0.0649 290 THR A CB 2328 O OG1 . THR A 295 ? 1.0153 1.3888 1.0070 -0.0085 -0.1717 -0.0658 290 THR A OG1 2329 C CG2 . THR A 295 ? 0.9021 1.2805 0.8522 -0.0066 -0.1759 -0.0799 290 THR A CG2 2330 N N . CYS A 296 ? 0.8596 1.2243 0.8363 -0.0057 -0.1456 -0.0400 291 CYS A N 2331 C CA . CYS A 296 ? 0.8008 1.1625 0.7920 -0.0054 -0.1421 -0.0285 291 CYS A CA 2332 C C . CYS A 296 ? 0.7022 1.0652 0.6763 -0.0039 -0.1400 -0.0163 291 CYS A C 2333 O O . CYS A 296 ? 0.8280 1.1945 0.7790 -0.0033 -0.1394 -0.0163 291 CYS A O 2334 C CB . CYS A 296 ? 0.8298 1.1829 0.8365 -0.0065 -0.1304 -0.0298 291 CYS A CB 2335 S SG . CYS A 296 ? 0.8326 1.1815 0.8591 -0.0060 -0.1260 -0.0180 291 CYS A SG 2336 N N . GLY A 297 ? 0.9360 1.2962 0.9218 -0.0033 -0.1388 -0.0059 292 GLY A N 2337 C CA . GLY A 297 ? 1.0438 1.4035 1.0164 -0.0023 -0.1366 0.0065 292 GLY A CA 2338 C C . GLY A 297 ? 1.0503 1.4045 1.0145 -0.0029 -0.1235 0.0083 292 GLY A C 2339 O O . GLY A 297 ? 1.0478 1.3982 1.0176 -0.0038 -0.1163 0.0003 292 GLY A O 2340 N N . THR A 298 ? 0.8149 1.1686 0.7666 -0.0026 -0.1208 0.0193 293 THR A N 2341 C CA . THR A 298 ? 0.8465 1.1961 0.7899 -0.0034 -0.1091 0.0219 293 THR A CA 2342 C C . THR A 298 ? 0.8483 1.1891 0.8079 -0.0036 -0.1024 0.0280 293 THR A C 2343 O O . THR A 298 ? 0.8889 1.2273 0.8645 -0.0027 -0.1067 0.0315 293 THR A O 2344 C CB . THR A 298 ? 0.8350 1.1894 0.7554 -0.0037 -0.1090 0.0306 293 THR A CB 2345 O OG1 . THR A 298 ? 0.7808 1.1351 0.7025 -0.0032 -0.1162 0.0422 293 THR A OG1 2346 C CG2 . THR A 298 ? 0.8202 1.1834 0.7216 -0.0034 -0.1134 0.0235 293 THR A CG2 2347 N N . ARG A 299 ? 0.9990 1.3354 0.9544 -0.0045 -0.0919 0.0287 294 ARG A N 2348 C CA . ARG A 299 ? 0.9139 1.2416 0.8815 -0.0048 -0.0850 0.0342 294 ARG A CA 2349 C C . ARG A 299 ? 0.8793 1.2050 0.8482 -0.0042 -0.0891 0.0465 294 ARG A C 2350 O O . ARG A 299 ? 1.0184 1.3480 0.9720 -0.0045 -0.0925 0.0539 294 ARG A O 2351 C CB . ARG A 299 ? 0.9799 1.3046 0.9391 -0.0060 -0.0743 0.0342 294 ARG A CB 2352 C CG . ARG A 299 ? 1.0456 1.3693 1.0077 -0.0062 -0.0690 0.0227 294 ARG A CG 2353 C CD . ARG A 299 ? 1.1541 1.4770 1.1055 -0.0069 -0.0598 0.0230 294 ARG A CD 2354 N NE . ARG A 299 ? 1.1576 1.4736 1.1136 -0.0078 -0.0538 0.0312 294 ARG A NE 2355 C CZ . ARG A 299 ? 1.1389 1.4559 1.0850 -0.0087 -0.0526 0.0410 294 ARG A CZ 2356 N NH1 . ARG A 299 ? 1.1622 1.4720 1.1138 -0.0097 -0.0476 0.0474 294 ARG A NH1 2357 N NH2 . ARG A 299 ? 1.1067 1.4318 1.0371 -0.0089 -0.0563 0.0444 294 ARG A NH2 2358 N N . GLY A 300 ? 0.6614 0.9809 0.6486 -0.0032 -0.0889 0.0486 295 GLY A N 2359 C CA . GLY A 300 ? 0.6405 0.9563 0.6318 -0.0021 -0.0925 0.0595 295 GLY A CA 2360 C C . GLY A 300 ? 0.6078 0.9145 0.6162 -0.0014 -0.0864 0.0601 295 GLY A C 2361 O O . GLY A 300 ? 0.6343 0.9380 0.6486 -0.0021 -0.0789 0.0531 295 GLY A O 2362 N N . PRO A 301 ? 0.6960 0.9980 0.7119 0.0003 -0.0896 0.0685 296 PRO A N 2363 C CA . PRO A 301 ? 0.7866 1.0799 0.8186 0.0016 -0.0842 0.0688 296 PRO A CA 2364 C C . PRO A 301 ? 0.7184 1.0129 0.7675 0.0025 -0.0820 0.0591 296 PRO A C 2365 O O . PRO A 301 ? 0.6553 0.9570 0.7101 0.0031 -0.0886 0.0547 296 PRO A O 2366 C CB . PRO A 301 ? 0.6959 0.9865 0.7343 0.0041 -0.0916 0.0779 296 PRO A CB 2367 C CG . PRO A 301 ? 0.7428 1.0377 0.7630 0.0028 -0.0977 0.0855 296 PRO A CG 2368 C CD . PRO A 301 ? 0.7076 1.0118 0.7167 0.0012 -0.0988 0.0781 296 PRO A CD 2369 N N . SER A 302 ? 0.7626 1.0504 0.8196 0.0022 -0.0730 0.0560 297 SER A N 2370 C CA . SER A 302 ? 0.7071 0.9957 0.7803 0.0026 -0.0696 0.0477 297 SER A CA 2371 C C . SER A 302 ? 0.7578 1.0495 0.8493 0.0055 -0.0760 0.0482 297 SER A C 2372 O O . SER A 302 ? 0.7599 1.0475 0.8577 0.0080 -0.0776 0.0543 297 SER A O 2373 C CB . SER A 302 ? 0.6280 0.9081 0.7051 0.0020 -0.0589 0.0461 297 SER A CB 2374 O OG . SER A 302 ? 0.7044 0.9855 0.7969 0.0021 -0.0552 0.0389 297 SER A OG 2375 N N . LEU A 303 ? 0.7291 1.0281 0.8300 0.0051 -0.0799 0.0416 298 LEU A N 2376 C CA . LEU A 303 ? 0.7163 1.0204 0.8361 0.0077 -0.0866 0.0415 298 LEU A CA 2377 C C . LEU A 303 ? 0.6665 0.9698 0.8065 0.0080 -0.0798 0.0359 298 LEU A C 2378 O O . LEU A 303 ? 0.6742 0.9765 0.8140 0.0054 -0.0730 0.0297 298 LEU A O 2379 C CB . LEU A 303 ? 0.6671 0.9810 0.7852 0.0070 -0.0970 0.0385 298 LEU A CB 2380 C CG . LEU A 303 ? 0.6844 1.0004 0.7817 0.0068 -0.1043 0.0442 298 LEU A CG 2381 C CD1 . LEU A 303 ? 0.6620 0.9876 0.7564 0.0060 -0.1141 0.0396 298 LEU A CD1 2382 C CD2 . LEU A 303 ? 0.6990 1.0122 0.7979 0.0099 -0.1093 0.0544 298 LEU A CD2 2383 N N . ARG A 304 ? 0.6410 0.9449 0.7985 0.0114 -0.0814 0.0382 299 ARG A N 2384 C CA . ARG A 304 ? 0.6732 0.9784 0.8513 0.0120 -0.0751 0.0333 299 ARG A CA 2385 C C . ARG A 304 ? 0.6599 0.9758 0.8523 0.0108 -0.0814 0.0277 299 ARG A C 2386 O O . ARG A 304 ? 0.6252 0.9476 0.8168 0.0116 -0.0924 0.0292 299 ARG A O 2387 C CB . ARG A 304 ? 0.6689 0.9708 0.8605 0.0166 -0.0736 0.0374 299 ARG A CB 2388 C CG . ARG A 304 ? 0.6824 0.9836 0.8911 0.0172 -0.0637 0.0329 299 ARG A CG 2389 C CD . ARG A 304 ? 0.6606 0.9582 0.8813 0.0223 -0.0620 0.0363 299 ARG A CD 2390 N NE . ARG A 304 ? 0.8023 1.1079 1.0389 0.0260 -0.0720 0.0384 299 ARG A NE 2391 C CZ . ARG A 304 ? 0.8377 1.1420 1.0881 0.0314 -0.0727 0.0411 299 ARG A CZ 2392 N NH1 . ARG A 304 ? 0.8096 1.1046 1.0590 0.0335 -0.0640 0.0416 299 ARG A NH1 2393 N NH2 . ARG A 304 ? 0.8225 1.1347 1.0877 0.0348 -0.0826 0.0430 299 ARG A NH2 2394 N N . SER A 305 ? 0.5662 0.8838 0.7714 0.0088 -0.0747 0.0215 300 SER A N 2395 C CA . SER A 305 ? 0.5916 0.9189 0.8115 0.0067 -0.0800 0.0157 300 SER A CA 2396 C C . SER A 305 ? 0.6007 0.9363 0.8441 0.0100 -0.0857 0.0170 300 SER A C 2397 O O . SER A 305 ? 0.5631 0.9077 0.8230 0.0085 -0.0899 0.0124 300 SER A O 2398 C CB . SER A 305 ? 0.4548 0.7808 0.6813 0.0029 -0.0705 0.0095 300 SER A CB 2399 O OG . SER A 305 ? 0.5145 0.8368 0.7520 0.0044 -0.0603 0.0107 300 SER A OG 2400 N N . THR A 306 ? 0.6412 0.9738 0.8871 0.0147 -0.0860 0.0230 301 THR A N 2401 C CA . THR A 306 ? 0.6129 0.9530 0.8814 0.0188 -0.0917 0.0246 301 THR A CA 2402 C C . THR A 306 ? 0.7689 1.1073 1.0305 0.0231 -0.1012 0.0322 301 THR A C 2403 O O . THR A 306 ? 0.8285 1.1572 1.0731 0.0241 -0.0986 0.0372 301 THR A O 2404 C CB . THR A 306 ? 0.6420 0.9806 0.9283 0.0214 -0.0808 0.0237 301 THR A CB 2405 O OG1 . THR A 306 ? 0.8166 1.1430 1.0880 0.0228 -0.0728 0.0271 301 THR A OG1 2406 C CG2 . THR A 306 ? 0.5513 0.8939 0.8489 0.0171 -0.0726 0.0170 301 THR A CG2 2407 N N . THR A 307 ? 0.7357 1.0835 1.0109 0.0254 -0.1126 0.0332 302 THR A N 2408 C CA . THR A 307 ? 0.7498 1.0965 1.0228 0.0301 -0.1222 0.0410 302 THR A CA 2409 C C . THR A 307 ? 0.7954 1.1356 1.0794 0.0352 -0.1157 0.0444 302 THR A C 2410 O O . THR A 307 ? 0.8156 1.1561 1.1141 0.0357 -0.1054 0.0399 302 THR A O 2411 C CB . THR A 307 ? 0.8513 1.2103 1.1398 0.0319 -0.1361 0.0411 302 THR A CB 2412 O OG1 . THR A 307 ? 0.8420 1.2090 1.1603 0.0340 -0.1332 0.0371 302 THR A OG1 2413 C CG2 . THR A 307 ? 0.6915 1.0568 0.9696 0.0268 -0.1429 0.0365 302 THR A CG2 2414 N N . ALA A 308 ? 0.9569 1.2911 1.2338 0.0391 -0.1216 0.0522 303 ALA A N 2415 C CA . ALA A 308 ? 0.9847 1.3115 1.2716 0.0445 -0.1168 0.0553 303 ALA A CA 2416 C C . ALA A 308 ? 1.0386 1.3751 1.3566 0.0490 -0.1174 0.0519 303 ALA A C 2417 O O . ALA A 308 ? 1.0068 1.3398 1.3374 0.0527 -0.1087 0.0501 303 ALA A O 2418 C CB . ALA A 308 ? 1.0747 1.3938 1.3500 0.0475 -0.1252 0.0648 303 ALA A CB 2419 N N . SER A 309 ? 0.9622 1.3111 1.2922 0.0489 -0.1278 0.0508 304 SER A N 2420 C CA . SER A 309 ? 0.8744 1.2350 1.2357 0.0525 -0.1289 0.0472 304 SER A CA 2421 C C . SER A 309 ? 0.8753 1.2397 1.2480 0.0494 -0.1153 0.0391 304 SER A C 2422 O O . SER A 309 ? 0.9187 1.2881 1.3147 0.0531 -0.1093 0.0365 304 SER A O 2423 C CB . SER A 309 ? 0.9384 1.3118 1.3086 0.0520 -0.1437 0.0474 304 SER A CB 2424 O OG . SER A 309 ? 0.9742 1.3513 1.3315 0.0450 -0.1448 0.0430 304 SER A OG 2425 N N . GLY A 310 ? 0.8098 1.1720 1.1661 0.0427 -0.1103 0.0355 305 GLY A N 2426 C CA . GLY A 310 ? 0.6569 1.0204 1.0201 0.0391 -0.0972 0.0291 305 GLY A CA 2427 C C . GLY A 310 ? 0.6222 0.9946 0.9891 0.0328 -0.0990 0.0234 305 GLY A C 2428 O O . GLY A 310 ? 0.5849 0.9607 0.9634 0.0298 -0.0895 0.0184 305 GLY A O 2429 N N . ARG A 311 ? 0.5576 0.9331 0.9140 0.0305 -0.1113 0.0242 306 ARG A N 2430 C CA . ARG A 311 ? 0.6578 1.0418 1.0187 0.0248 -0.1151 0.0183 306 ARG A CA 2431 C C . ARG A 311 ? 0.6817 1.0578 1.0172 0.0191 -0.1113 0.0156 306 ARG A C 2432 O O . ARG A 311 ? 0.7158 1.0834 1.0267 0.0194 -0.1132 0.0193 306 ARG A O 2433 C CB . ARG A 311 ? 0.7295 1.1235 1.0966 0.0257 -0.1319 0.0193 306 ARG A CB 2434 C CG . ARG A 311 ? 0.6473 1.0510 1.0238 0.0201 -0.1370 0.0124 306 ARG A CG 2435 C CD . ARG A 311 ? 0.7566 1.1698 1.1370 0.0211 -0.1545 0.0133 306 ARG A CD 2436 N NE . ARG A 311 ? 0.8755 1.2830 1.2259 0.0194 -0.1622 0.0148 306 ARG A NE 2437 C CZ . ARG A 311 ? 0.8760 1.2779 1.2088 0.0232 -0.1676 0.0222 306 ARG A CZ 2438 N NH1 . ARG A 311 ? 0.8520 1.2500 1.1576 0.0211 -0.1736 0.0233 306 ARG A NH1 2439 N NH2 . ARG A 311 ? 0.8170 1.2169 1.1595 0.0291 -0.1668 0.0286 306 ARG A NH2 2440 N N . VAL A 312 ? 0.6725 1.0517 1.0150 0.0139 -0.1061 0.0092 307 VAL A N 2441 C CA . VAL A 312 ? 0.5965 0.9688 0.9181 0.0086 -0.1027 0.0056 307 VAL A CA 2442 C C . VAL A 312 ? 0.6717 1.0474 0.9801 0.0065 -0.1158 0.0038 307 VAL A C 2443 O O . VAL A 312 ? 0.7593 1.1452 1.0824 0.0052 -0.1253 0.0006 307 VAL A O 2444 C CB . VAL A 312 ? 0.5895 0.9637 0.9242 0.0036 -0.0937 -0.0005 307 VAL A CB 2445 C CG1 . VAL A 312 ? 0.6129 0.9807 0.9279 -0.0015 -0.0926 -0.0047 307 VAL A CG1 2446 C CG2 . VAL A 312 ? 0.5675 0.9371 0.9097 0.0053 -0.0793 0.0012 307 VAL A CG2 2447 N N . ILE A 313 ? 0.6236 0.9911 0.9043 0.0061 -0.1163 0.0058 308 ILE A N 2448 C CA . ILE A 313 ? 0.5670 0.9366 0.8314 0.0036 -0.1262 0.0028 308 ILE A CA 2449 C C . ILE A 313 ? 0.5497 0.9174 0.8122 -0.0019 -0.1210 -0.0052 308 ILE A C 2450 O O . ILE A 313 ? 0.6141 0.9730 0.8657 -0.0033 -0.1101 -0.0058 308 ILE A O 2451 C CB . ILE A 313 ? 0.5285 0.8911 0.7640 0.0052 -0.1280 0.0083 308 ILE A CB 2452 C CG1 . ILE A 313 ? 0.6480 1.0117 0.8853 0.0104 -0.1346 0.0169 308 ILE A CG1 2453 C CG2 . ILE A 313 ? 0.6002 0.9652 0.8175 0.0025 -0.1365 0.0040 308 ILE A CG2 2454 C CD1 . ILE A 313 ? 0.7695 1.1253 1.0104 0.0136 -0.1246 0.0224 308 ILE A CD1 2455 N N . GLU A 314 ? 0.5835 0.9591 0.8571 -0.0049 -0.1291 -0.0115 309 GLU A N 2456 C CA . GLU A 314 ? 0.6183 0.9925 0.8975 -0.0102 -0.1242 -0.0191 309 GLU A CA 2457 C C . GLU A 314 ? 0.5554 0.9235 0.8100 -0.0128 -0.1253 -0.0241 309 GLU A C 2458 O O . GLU A 314 ? 0.5619 0.9243 0.8155 -0.0163 -0.1178 -0.0288 309 GLU A O 2459 C CB . GLU A 314 ? 0.5858 0.9710 0.8906 -0.0128 -0.1322 -0.0241 309 GLU A CB 2460 C CG . GLU A 314 ? 0.7294 1.1221 1.0621 -0.0104 -0.1299 -0.0203 309 GLU A CG 2461 C CD . GLU A 314 ? 0.7926 1.1966 1.1529 -0.0140 -0.1362 -0.0255 309 GLU A CD 2462 O OE1 . GLU A 314 ? 0.8831 1.2871 1.2416 -0.0190 -0.1404 -0.0324 309 GLU A OE1 2463 O OE2 . GLU A 314 ? 0.7507 1.1638 1.1353 -0.0117 -0.1370 -0.0227 309 GLU A OE2 2464 N N . GLU A 315 ? 0.6744 1.0436 0.9093 -0.0110 -0.1345 -0.0229 310 GLU A N 2465 C CA . GLU A 315 ? 0.7540 1.1193 0.9666 -0.0131 -0.1365 -0.0287 310 GLU A CA 2466 C C . GLU A 315 ? 0.7772 1.1362 0.9618 -0.0105 -0.1330 -0.0235 310 GLU A C 2467 O O . GLU A 315 ? 0.7668 1.1284 0.9424 -0.0073 -0.1388 -0.0169 310 GLU A O 2468 C CB . GLU A 315 ? 0.7804 1.1540 0.9929 -0.0143 -0.1514 -0.0344 310 GLU A CB 2469 C CG . GLU A 315 ? 0.8390 1.2180 1.0770 -0.0182 -0.1552 -0.0415 310 GLU A CG 2470 C CD . GLU A 315 ? 0.9873 1.3618 1.2188 -0.0225 -0.1549 -0.0516 310 GLU A CD 2471 O OE1 . GLU A 315 ? 1.1032 1.4798 1.3197 -0.0228 -0.1647 -0.0571 310 GLU A OE1 2472 O OE2 . GLU A 315 ? 0.9728 1.3416 1.2139 -0.0254 -0.1449 -0.0541 310 GLU A OE2 2473 N N . TRP A 316 ? 0.7214 1.0723 0.8932 -0.0121 -0.1237 -0.0264 311 TRP A N 2474 C CA . TRP A 316 ? 0.6765 1.0218 0.8230 -0.0103 -0.1191 -0.0221 311 TRP A CA 2475 C C . TRP A 316 ? 0.7394 1.0824 0.8679 -0.0121 -0.1190 -0.0299 311 TRP A C 2476 O O . TRP A 316 ? 0.7454 1.0887 0.8818 -0.0149 -0.1211 -0.0387 311 TRP A O 2477 C CB . TRP A 316 ? 0.6044 0.9418 0.7528 -0.0095 -0.1061 -0.0165 311 TRP A CB 2478 C CG . TRP A 316 ? 0.5813 0.9201 0.7452 -0.0069 -0.1053 -0.0092 311 TRP A CG 2479 C CD1 . TRP A 316 ? 0.5611 0.9043 0.7503 -0.0071 -0.1060 -0.0102 311 TRP A CD1 2480 C CD2 . TRP A 316 ? 0.6053 0.9409 0.7612 -0.0036 -0.1034 -0.0001 311 TRP A CD2 2481 N NE1 . TRP A 316 ? 0.5253 0.8685 0.7225 -0.0036 -0.1045 -0.0028 311 TRP A NE1 2482 C CE2 . TRP A 316 ? 0.5822 0.9201 0.7592 -0.0015 -0.1033 0.0035 311 TRP A CE2 2483 C CE3 . TRP A 316 ? 0.5252 0.8564 0.6589 -0.0023 -0.1018 0.0054 311 TRP A CE3 2484 C CZ2 . TRP A 316 ? 0.5782 0.9129 0.7544 0.0021 -0.1020 0.0119 311 TRP A CZ2 2485 C CZ3 . TRP A 316 ? 0.5447 0.8728 0.6780 0.0006 -0.1007 0.0144 311 TRP A CZ3 2486 C CH2 . TRP A 316 ? 0.6067 0.9361 0.7609 0.0029 -0.1010 0.0173 311 TRP A CH2 2487 N N . CYS A 317 ? 0.7498 1.0902 0.8549 -0.0105 -0.1164 -0.0267 312 CYS A N 2488 C CA . CYS A 317 ? 0.7912 1.1304 0.8773 -0.0113 -0.1164 -0.0337 312 CYS A CA 2489 C C . CYS A 317 ? 0.7398 1.0745 0.8056 -0.0098 -0.1081 -0.0285 312 CYS A C 2490 O O . CYS A 317 ? 0.6255 0.9585 0.6899 -0.0083 -0.1045 -0.0190 312 CYS A O 2491 C CB . CYS A 317 ? 0.7425 1.0897 0.8183 -0.0109 -0.1292 -0.0376 312 CYS A CB 2492 S SG . CYS A 317 ? 0.9613 1.3135 1.0179 -0.0078 -0.1348 -0.0266 312 CYS A SG 2493 N N . CYS A 318 ? 0.6976 1.0306 0.7483 -0.0102 -0.1054 -0.0349 313 CYS A N 2494 C CA . CYS A 318 ? 0.7653 1.0958 0.7967 -0.0089 -0.0980 -0.0307 313 CYS A CA 2495 C C . CYS A 318 ? 0.7558 1.0893 0.7678 -0.0084 -0.0999 -0.0384 313 CYS A C 2496 O O . CYS A 318 ? 0.7574 1.0906 0.7730 -0.0093 -0.1030 -0.0489 313 CYS A O 2497 C CB . CYS A 318 ? 0.5381 0.8599 0.5765 -0.0095 -0.0861 -0.0293 313 CYS A CB 2498 S SG . CYS A 318 ? 0.7177 1.0340 0.7648 -0.0115 -0.0821 -0.0410 313 CYS A SG 2499 N N . ARG A 319 ? 0.7003 1.0366 0.6920 -0.0068 -0.0979 -0.0332 314 ARG A N 2500 C CA . ARG A 319 ? 0.6768 1.0176 0.6482 -0.0058 -0.0992 -0.0399 314 ARG A CA 2501 C C . ARG A 319 ? 0.7570 1.0926 0.7290 -0.0059 -0.0923 -0.0496 314 ARG A C 2502 O O . ARG A 319 ? 0.7740 1.1110 0.7423 -0.0057 -0.0965 -0.0605 314 ARG A O 2503 C CB . ARG A 319 ? 0.7655 1.1103 0.7168 -0.0046 -0.0961 -0.0309 314 ARG A CB 2504 C CG . ARG A 319 ? 0.7335 1.0833 0.6815 -0.0043 -0.1037 -0.0208 314 ARG A CG 2505 C CD . ARG A 319 ? 0.9051 1.2631 0.8402 -0.0036 -0.1145 -0.0255 314 ARG A CD 2506 N NE . ARG A 319 ? 1.0432 1.4074 0.9533 -0.0027 -0.1136 -0.0210 314 ARG A NE 2507 C CZ . ARG A 319 ? 1.0007 1.3705 0.9000 -0.0024 -0.1201 -0.0118 314 ARG A CZ 2508 N NH1 . ARG A 319 ? 1.0810 1.4567 0.9572 -0.0019 -0.1182 -0.0076 314 ARG A NH1 2509 N NH2 . ARG A 319 ? 1.0226 1.3923 0.9344 -0.0025 -0.1287 -0.0065 314 ARG A NH2 2510 N N . GLU A 320 ? 0.8501 1.1792 0.8268 -0.0061 -0.0821 -0.0456 315 GLU A N 2511 C CA . GLU A 320 ? 0.8287 1.1527 0.8047 -0.0057 -0.0751 -0.0533 315 GLU A CA 2512 C C . GLU A 320 ? 0.8167 1.1320 0.8064 -0.0068 -0.0662 -0.0491 315 GLU A C 2513 O O . GLU A 320 ? 0.8274 1.1386 0.8139 -0.0061 -0.0588 -0.0516 315 GLU A O 2514 C CB . GLU A 320 ? 0.7232 1.0520 0.6776 -0.0035 -0.0710 -0.0538 315 GLU A CB 2515 C CG . GLU A 320 ? 0.8018 1.1322 0.7487 -0.0034 -0.0654 -0.0413 315 GLU A CG 2516 C CD . GLU A 320 ? 0.8380 1.1761 0.7631 -0.0017 -0.0630 -0.0406 315 GLU A CD 2517 O OE1 . GLU A 320 ? 0.9256 1.2660 0.8426 0.0000 -0.0620 -0.0505 315 GLU A OE1 2518 O OE2 . GLU A 320 ? 0.8760 1.2180 0.7926 -0.0020 -0.0620 -0.0299 315 GLU A OE2 2519 N N . CYS A 321 ? 0.7369 1.0498 0.7416 -0.0082 -0.0669 -0.0428 316 CYS A N 2520 C CA . CYS A 321 ? 0.7333 1.0381 0.7504 -0.0092 -0.0587 -0.0389 316 CYS A CA 2521 C C . CYS A 321 ? 0.7470 1.0458 0.7775 -0.0108 -0.0573 -0.0474 316 CYS A C 2522 O O . CYS A 321 ? 0.7561 1.0565 0.7866 -0.0110 -0.0629 -0.0565 316 CYS A O 2523 C CB . CYS A 321 ? 0.6781 0.9824 0.7067 -0.0098 -0.0595 -0.0301 316 CYS A CB 2524 S SG . CYS A 321 ? 0.9153 1.2216 0.9652 -0.0115 -0.0671 -0.0337 316 CYS A SG 2525 N N . THR A 322 ? 0.6424 0.9337 0.6839 -0.0119 -0.0501 -0.0443 317 THR A N 2526 C CA . THR A 322 ? 0.6762 0.9609 0.7305 -0.0137 -0.0480 -0.0508 317 THR A CA 2527 C C . THR A 322 ? 0.7052 0.9874 0.7795 -0.0162 -0.0472 -0.0476 317 THR A C 2528 O O . THR A 322 ? 0.7012 0.9851 0.7790 -0.0158 -0.0460 -0.0398 317 THR A O 2529 C CB . THR A 322 ? 0.6504 0.9280 0.6998 -0.0130 -0.0394 -0.0511 317 THR A CB 2530 O OG1 . THR A 322 ? 0.7869 1.0619 0.8359 -0.0128 -0.0328 -0.0417 317 THR A OG1 2531 C CG2 . THR A 322 ? 0.5420 0.8229 0.5736 -0.0104 -0.0397 -0.0555 317 THR A CG2 2532 N N . MET A 323 ? 0.6559 0.9341 0.7435 -0.0186 -0.0478 -0.0537 318 MET A N 2533 C CA . MET A 323 ? 0.5805 0.8571 0.6882 -0.0213 -0.0463 -0.0512 318 MET A CA 2534 C C . MET A 323 ? 0.5653 0.8325 0.6785 -0.0227 -0.0370 -0.0495 318 MET A C 2535 O O . MET A 323 ? 0.6810 0.9425 0.7885 -0.0226 -0.0348 -0.0540 318 MET A O 2536 C CB . MET A 323 ? 0.6152 0.8950 0.7362 -0.0239 -0.0545 -0.0584 318 MET A CB 2537 C CG . MET A 323 ? 0.4611 0.7505 0.5784 -0.0228 -0.0646 -0.0597 318 MET A CG 2538 S SD . MET A 323 ? 0.7144 1.0101 0.8393 -0.0216 -0.0652 -0.0495 318 MET A SD 2539 C CE . MET A 323 ? 0.7072 1.0078 0.8078 -0.0178 -0.0688 -0.0458 318 MET A CE 2540 N N . PRO A 324 ? 0.5820 0.8476 0.7064 -0.0238 -0.0316 -0.0431 319 PRO A N 2541 C CA . PRO A 324 ? 0.5640 0.8357 0.6975 -0.0235 -0.0333 -0.0377 319 PRO A CA 2542 C C . PRO A 324 ? 0.6293 0.9044 0.7492 -0.0202 -0.0340 -0.0319 319 PRO A C 2543 O O . PRO A 324 ? 0.7485 1.0201 0.8535 -0.0186 -0.0300 -0.0298 319 PRO A O 2544 C CB . PRO A 324 ? 0.5502 0.8169 0.6960 -0.0252 -0.0245 -0.0333 319 PRO A CB 2545 C CG . PRO A 324 ? 0.5513 0.8101 0.6984 -0.0276 -0.0208 -0.0373 319 PRO A CG 2546 C CD . PRO A 324 ? 0.5252 0.7821 0.6547 -0.0255 -0.0231 -0.0412 319 PRO A CD 2547 N N . PRO A 325 ? 0.6969 0.9790 0.8226 -0.0192 -0.0394 -0.0289 320 PRO A N 2548 C CA . PRO A 325 ? 0.6699 0.9554 0.7832 -0.0163 -0.0418 -0.0232 320 PRO A CA 2549 C C . PRO A 325 ? 0.7450 1.0256 0.8560 -0.0149 -0.0342 -0.0155 320 PRO A C 2550 O O . PRO A 325 ? 0.7364 1.0135 0.8594 -0.0158 -0.0283 -0.0139 320 PRO A O 2551 C CB . PRO A 325 ? 0.6558 0.9495 0.7798 -0.0159 -0.0505 -0.0228 320 PRO A CB 2552 C CG . PRO A 325 ? 0.6625 0.9562 0.8080 -0.0182 -0.0483 -0.0247 320 PRO A CG 2553 C CD . PRO A 325 ? 0.7004 0.9878 0.8459 -0.0209 -0.0438 -0.0304 320 PRO A CD 2554 N N . LEU A 326 ? 0.7567 1.0372 0.8520 -0.0130 -0.0343 -0.0110 321 LEU A N 2555 C CA . LEU A 326 ? 0.7353 1.0111 0.8274 -0.0117 -0.0285 -0.0038 321 LEU A CA 2556 C C . LEU A 326 ? 0.7507 1.0292 0.8552 -0.0103 -0.0310 0.0006 321 LEU A C 2557 O O . LEU A 326 ? 0.7568 1.0416 0.8621 -0.0092 -0.0390 0.0017 321 LEU A O 2558 C CB . LEU A 326 ? 0.7022 0.9781 0.7755 -0.0105 -0.0290 0.0001 321 LEU A CB 2559 C CG . LEU A 326 ? 0.6826 0.9519 0.7482 -0.0100 -0.0219 0.0057 321 LEU A CG 2560 C CD1 . LEU A 326 ? 0.7609 1.0328 0.8093 -0.0094 -0.0237 0.0091 321 LEU A CD1 2561 C CD2 . LEU A 326 ? 0.5728 0.8387 0.6471 -0.0090 -0.0198 0.0113 321 LEU A CD2 2562 N N . SER A 327 ? 0.5322 0.8059 0.6460 -0.0101 -0.0243 0.0029 322 SER A N 2563 C CA . SER A 327 ? 0.6445 0.9204 0.7707 -0.0081 -0.0257 0.0067 322 SER A CA 2564 C C . SER A 327 ? 0.6049 0.8734 0.7302 -0.0067 -0.0180 0.0112 322 SER A C 2565 O O . SER A 327 ? 0.5606 0.8228 0.6803 -0.0079 -0.0107 0.0106 322 SER A O 2566 C CB . SER A 327 ? 0.5508 0.8318 0.6971 -0.0092 -0.0268 0.0026 322 SER A CB 2567 O OG . SER A 327 ? 0.6818 0.9584 0.8335 -0.0116 -0.0189 -0.0005 322 SER A OG 2568 N N . PHE A 328 ? 0.5634 0.8326 0.6941 -0.0039 -0.0201 0.0156 323 PHE A N 2569 C CA . PHE A 328 ? 0.5557 0.8178 0.6863 -0.0022 -0.0138 0.0193 323 PHE A CA 2570 C C . PHE A 328 ? 0.6755 0.9400 0.8252 -0.0002 -0.0116 0.0186 323 PHE A C 2571 O O . PHE A 328 ? 0.6373 0.9082 0.7978 0.0017 -0.0181 0.0193 323 PHE A O 2572 C CB . PHE A 328 ? 0.5505 0.8097 0.6701 -0.0002 -0.0177 0.0255 323 PHE A CB 2573 C CG . PHE A 328 ? 0.6327 0.8930 0.7353 -0.0019 -0.0214 0.0267 323 PHE A CG 2574 C CD1 . PHE A 328 ? 0.6729 0.9272 0.7618 -0.0033 -0.0163 0.0280 323 PHE A CD1 2575 C CD2 . PHE A 328 ? 0.5893 0.8570 0.6894 -0.0019 -0.0300 0.0267 323 PHE A CD2 2576 C CE1 . PHE A 328 ? 0.5382 0.7947 0.6123 -0.0047 -0.0191 0.0291 323 PHE A CE1 2577 C CE2 . PHE A 328 ? 0.6741 0.9437 0.7579 -0.0032 -0.0326 0.0277 323 PHE A CE2 2578 C CZ . PHE A 328 ? 0.6212 0.8854 0.6924 -0.0045 -0.0268 0.0289 323 PHE A CZ 2579 N N . ARG A 329 ? 0.7151 0.9749 0.8691 -0.0006 -0.0026 0.0172 324 ARG A N 2580 C CA . ARG A 329 ? 0.5716 0.8346 0.7439 0.0012 0.0010 0.0161 324 ARG A CA 2581 C C . ARG A 329 ? 0.6366 0.8937 0.8084 0.0050 0.0044 0.0193 324 ARG A C 2582 O O . ARG A 329 ? 0.6901 0.9391 0.8530 0.0048 0.0115 0.0197 324 ARG A O 2583 C CB . ARG A 329 ? 0.6136 0.8763 0.7925 -0.0017 0.0093 0.0125 324 ARG A CB 2584 C CG . ARG A 329 ? 0.7095 0.9769 0.8911 -0.0056 0.0062 0.0087 324 ARG A CG 2585 C CD . ARG A 329 ? 0.7594 1.0374 0.9576 -0.0053 -0.0013 0.0069 324 ARG A CD 2586 N NE . ARG A 329 ? 0.8214 1.1034 1.0286 -0.0094 -0.0013 0.0025 324 ARG A NE 2587 C CZ . ARG A 329 ? 0.8360 1.1181 1.0353 -0.0121 -0.0063 -0.0005 324 ARG A CZ 2588 N NH1 . ARG A 329 ? 0.8791 1.1583 1.0607 -0.0110 -0.0111 0.0007 324 ARG A NH1 2589 N NH2 . ARG A 329 ? 0.7819 1.0667 0.9910 -0.0159 -0.0064 -0.0047 324 ARG A NH2 2590 N N . ALA A 330 ? 0.6747 0.9354 0.8560 0.0087 -0.0012 0.0214 325 ALA A N 2591 C CA . ALA A 330 ? 0.6518 0.9067 0.8349 0.0129 0.0012 0.0238 325 ALA A CA 2592 C C . ALA A 330 ? 0.8176 1.0789 1.0224 0.0163 0.0034 0.0217 325 ALA A C 2593 O O . ALA A 330 ? 0.7902 1.0614 1.0091 0.0153 0.0008 0.0194 325 ALA A O 2594 C CB . ALA A 330 ? 0.6638 0.9157 0.8387 0.0150 -0.0072 0.0290 325 ALA A CB 2595 N N . LYS A 331 ? 1.0519 1.3078 1.2598 0.0203 0.0079 0.0221 326 LYS A N 2596 C CA . LYS A 331 ? 1.0033 1.2653 1.2319 0.0242 0.0113 0.0197 326 LYS A CA 2597 C C . LYS A 331 ? 1.0690 1.3404 1.3132 0.0270 0.0014 0.0211 326 LYS A C 2598 O O . LYS A 331 ? 1.1289 1.4095 1.3935 0.0291 0.0028 0.0186 326 LYS A O 2599 C CB . LYS A 331 ? 1.0383 1.2916 1.2651 0.0287 0.0171 0.0196 326 LYS A CB 2600 C CG . LYS A 331 ? 1.2061 1.4509 1.4239 0.0317 0.0099 0.0239 326 LYS A CG 2601 C CD . LYS A 331 ? 1.2389 1.4881 1.4742 0.0376 0.0038 0.0250 326 LYS A CD 2602 C CE . LYS A 331 ? 1.2039 1.4445 1.4301 0.0397 -0.0049 0.0306 326 LYS A CE 2603 N NZ . LYS A 331 ? 1.1142 1.3595 1.3578 0.0454 -0.0124 0.0324 326 LYS A NZ 2604 N N . ASP A 332 ? 0.7633 1.0329 0.9981 0.0270 -0.0086 0.0252 327 ASP A N 2605 C CA . ASP A 332 ? 0.7615 1.0391 1.0088 0.0298 -0.0192 0.0274 327 ASP A CA 2606 C C . ASP A 332 ? 0.6991 0.9863 0.9483 0.0256 -0.0255 0.0260 327 ASP A C 2607 O O . ASP A 332 ? 0.7551 1.0496 1.0124 0.0271 -0.0355 0.0277 327 ASP A O 2608 C CB . ASP A 332 ? 0.7536 1.0239 0.9904 0.0324 -0.0272 0.0334 327 ASP A CB 2609 C CG . ASP A 332 ? 0.7482 1.0174 0.9662 0.0282 -0.0340 0.0368 327 ASP A CG 2610 O OD1 . ASP A 332 ? 0.7246 0.9903 0.9283 0.0238 -0.0289 0.0352 327 ASP A OD1 2611 O OD2 . ASP A 332 ? 0.7146 0.9869 0.9323 0.0295 -0.0445 0.0411 327 ASP A OD2 2612 N N . GLY A 333 ? 0.6455 0.9325 0.8870 0.0205 -0.0201 0.0228 328 GLY A N 2613 C CA . GLY A 333 ? 0.6326 0.9280 0.8765 0.0165 -0.0256 0.0204 328 GLY A CA 2614 C C . GLY A 333 ? 0.6852 0.9757 0.9093 0.0116 -0.0245 0.0194 328 GLY A C 2615 O O . GLY A 333 ? 0.7379 1.0194 0.9486 0.0106 -0.0172 0.0199 328 GLY A O 2616 N N . CYS A 334 ? 0.6534 0.9502 0.8761 0.0089 -0.0320 0.0175 329 CYS A N 2617 C CA . CYS A 334 ? 0.5548 0.8483 0.7610 0.0046 -0.0312 0.0154 329 CYS A CA 2618 C C . CYS A 334 ? 0.6675 0.9622 0.8587 0.0045 -0.0411 0.0177 329 CYS A C 2619 O O . CYS A 334 ? 0.6959 0.9987 0.8928 0.0044 -0.0502 0.0166 329 CYS A O 2620 C CB . CYS A 334 ? 0.6479 0.9471 0.8654 0.0007 -0.0297 0.0096 329 CYS A CB 2621 S SG . CYS A 334 ? 0.8208 1.1167 1.0207 -0.0040 -0.0304 0.0058 329 CYS A SG 2622 N N . TRP A 335 ? 0.7207 1.0078 0.8925 0.0043 -0.0391 0.0211 330 TRP A N 2623 C CA . TRP A 335 ? 0.6387 0.9267 0.7941 0.0040 -0.0469 0.0241 330 TRP A CA 2624 C C . TRP A 335 ? 0.5855 0.8747 0.7290 0.0004 -0.0468 0.0194 330 TRP A C 2625 O O . TRP A 335 ? 0.5934 0.8794 0.7376 -0.0019 -0.0395 0.0153 330 TRP A O 2626 C CB . TRP A 335 ? 0.5267 0.8066 0.6685 0.0055 -0.0449 0.0306 330 TRP A CB 2627 C CG . TRP A 335 ? 0.5106 0.7877 0.6632 0.0095 -0.0453 0.0349 330 TRP A CG 2628 C CD1 . TRP A 335 ? 0.5071 0.7811 0.6729 0.0114 -0.0382 0.0332 330 TRP A CD1 2629 C CD2 . TRP A 335 ? 0.5033 0.7801 0.6542 0.0124 -0.0532 0.0414 330 TRP A CD2 2630 N NE1 . TRP A 335 ? 0.5546 0.8264 0.7276 0.0156 -0.0412 0.0375 330 TRP A NE1 2631 C CE2 . TRP A 335 ? 0.5156 0.7886 0.6801 0.0162 -0.0507 0.0430 330 TRP A CE2 2632 C CE3 . TRP A 335 ? 0.5349 0.8143 0.6739 0.0122 -0.0622 0.0464 330 TRP A CE3 2633 C CZ2 . TRP A 335 ? 0.5580 0.8289 0.7255 0.0200 -0.0572 0.0492 330 TRP A CZ2 2634 C CZ3 . TRP A 335 ? 0.5877 0.8651 0.7290 0.0154 -0.0686 0.0533 330 TRP A CZ3 2635 C CH2 . TRP A 335 ? 0.6426 0.9154 0.7984 0.0194 -0.0663 0.0547 330 TRP A CH2 2636 N N . TYR A 336 ? 0.5698 0.8634 0.7020 0.0000 -0.0550 0.0201 331 TYR A N 2637 C CA . TYR A 336 ? 0.5557 0.8504 0.6752 -0.0028 -0.0551 0.0152 331 TYR A CA 2638 C C . TYR A 336 ? 0.6215 0.9124 0.7196 -0.0030 -0.0535 0.0193 331 TYR A C 2639 O O . TYR A 336 ? 0.6090 0.8976 0.7016 -0.0013 -0.0549 0.0265 331 TYR A O 2640 C CB . TYR A 336 ? 0.5110 0.8146 0.6327 -0.0034 -0.0652 0.0112 331 TYR A CB 2641 C CG . TYR A 336 ? 0.6694 0.9764 0.8075 -0.0055 -0.0650 0.0037 331 TYR A CG 2642 C CD1 . TYR A 336 ? 0.5389 0.8419 0.6747 -0.0083 -0.0587 -0.0020 331 TYR A CD1 2643 C CD2 . TYR A 336 ? 0.6048 0.9188 0.7614 -0.0049 -0.0713 0.0026 331 TYR A CD2 2644 C CE1 . TYR A 336 ? 0.6444 0.9497 0.7956 -0.0107 -0.0586 -0.0083 331 TYR A CE1 2645 C CE2 . TYR A 336 ? 0.5527 0.8701 0.7254 -0.0074 -0.0711 -0.0039 331 TYR A CE2 2646 C CZ . TYR A 336 ? 0.6755 0.9883 0.8454 -0.0105 -0.0647 -0.0092 331 TYR A CZ 2647 O OH . TYR A 336 ? 0.6302 0.9456 0.8166 -0.0136 -0.0647 -0.0151 331 TYR A OH 2648 N N . GLY A 337 ? 0.5642 0.8544 0.6512 -0.0051 -0.0506 0.0148 332 GLY A N 2649 C CA . GLY A 337 ? 0.5804 0.8690 0.6478 -0.0054 -0.0491 0.0179 332 GLY A CA 2650 C C . GLY A 337 ? 0.7021 0.9973 0.7584 -0.0047 -0.0579 0.0212 332 GLY A C 2651 O O . GLY A 337 ? 0.7319 1.0333 0.7943 -0.0041 -0.0659 0.0191 332 GLY A O 2652 N N . MET A 338 ? 0.6597 0.9541 0.6997 -0.0048 -0.0566 0.0266 333 MET A N 2653 C CA . MET A 338 ? 0.7039 1.0043 0.7311 -0.0044 -0.0641 0.0313 333 MET A CA 2654 C C . MET A 338 ? 0.7780 1.0863 0.7987 -0.0048 -0.0698 0.0241 333 MET A C 2655 O O . MET A 338 ? 0.7940 1.1084 0.8106 -0.0041 -0.0786 0.0260 333 MET A O 2656 C CB . MET A 338 ? 0.7001 0.9985 0.7110 -0.0052 -0.0599 0.0379 333 MET A CB 2657 C CG . MET A 338 ? 0.6995 0.9897 0.7155 -0.0050 -0.0556 0.0454 333 MET A CG 2658 S SD . MET A 338 ? 0.6017 0.8902 0.6002 -0.0068 -0.0515 0.0536 333 MET A SD 2659 C CE . MET A 338 ? 0.5960 0.8925 0.5820 -0.0066 -0.0611 0.0604 333 MET A CE 2660 N N . GLU A 339 ? 0.7367 1.0443 0.7565 -0.0059 -0.0652 0.0157 334 GLU A N 2661 C CA . GLU A 339 ? 0.7511 1.0650 0.7638 -0.0062 -0.0700 0.0075 334 GLU A CA 2662 C C . GLU A 339 ? 0.7874 1.1050 0.8144 -0.0062 -0.0781 0.0025 334 GLU A C 2663 O O . GLU A 339 ? 0.7765 1.1000 0.7978 -0.0063 -0.0849 -0.0034 334 GLU A O 2664 C CB . GLU A 339 ? 0.6537 0.9644 0.6636 -0.0071 -0.0628 -0.0004 334 GLU A CB 2665 C CG . GLU A 339 ? 0.8512 1.1611 0.8454 -0.0071 -0.0560 0.0028 334 GLU A CG 2666 C CD . GLU A 339 ? 0.8409 1.1440 0.8389 -0.0074 -0.0493 0.0109 334 GLU A CD 2667 O OE1 . GLU A 339 ? 0.8323 1.1358 0.8182 -0.0076 -0.0456 0.0163 334 GLU A OE1 2668 O OE2 . GLU A 339 ? 0.7621 1.0597 0.7754 -0.0075 -0.0476 0.0116 334 GLU A OE2 2669 N N . ILE A 340 ? 0.7675 1.0821 0.8132 -0.0059 -0.0774 0.0047 335 ILE A N 2670 C CA . ILE A 340 ? 0.8110 1.1294 0.8738 -0.0062 -0.0840 -0.0001 335 ILE A CA 2671 C C . ILE A 340 ? 0.7422 1.0654 0.8107 -0.0044 -0.0928 0.0062 335 ILE A C 2672 O O . ILE A 340 ? 0.7320 1.0519 0.8062 -0.0028 -0.0907 0.0139 335 ILE A O 2673 C CB . ILE A 340 ? 0.8045 1.1177 0.8867 -0.0073 -0.0769 -0.0029 335 ILE A CB 2674 C CG1 . ILE A 340 ? 0.8060 1.1139 0.8825 -0.0090 -0.0690 -0.0088 335 ILE A CG1 2675 C CG2 . ILE A 340 ? 0.7451 1.0634 0.8466 -0.0080 -0.0833 -0.0078 335 ILE A CG2 2676 C CD1 . ILE A 340 ? 0.7776 1.0785 0.8671 -0.0099 -0.0597 -0.0086 335 ILE A CD1 2677 N N . ARG A 341 ? 0.7390 1.0698 0.8060 -0.0044 -0.1032 0.0027 336 ARG A N 2678 C CA . ARG A 341 ? 0.7506 1.0869 0.8205 -0.0024 -0.1135 0.0086 336 ARG A CA 2679 C C . ARG A 341 ? 0.7074 1.0495 0.7975 -0.0028 -0.1213 0.0030 336 ARG A C 2680 O O . ARG A 341 ? 0.7171 1.0600 0.8136 -0.0050 -0.1206 -0.0061 336 ARG A O 2681 C CB . ARG A 341 ? 0.8203 1.1615 0.8668 -0.0021 -0.1203 0.0108 336 ARG A CB 2682 C CG . ARG A 341 ? 0.7883 1.1256 0.8148 -0.0022 -0.1128 0.0162 336 ARG A CG 2683 C CD . ARG A 341 ? 0.8462 1.1797 0.8735 -0.0007 -0.1120 0.0283 336 ARG A CD 2684 N NE . ARG A 341 ? 0.7781 1.1031 0.8143 -0.0009 -0.1013 0.0302 336 ARG A NE 2685 C CZ . ARG A 341 ? 0.7571 1.0767 0.7968 0.0004 -0.0993 0.0393 336 ARG A CZ 2686 N NH1 . ARG A 341 ? 0.8496 1.1615 0.8964 0.0002 -0.0897 0.0398 336 ARG A NH1 2687 N NH2 . ARG A 341 ? 0.7389 1.0606 0.7750 0.0020 -0.1072 0.0477 336 ARG A NH2 2688 N N . PRO A 342 ? 0.6392 0.9855 0.7404 -0.0006 -0.1291 0.0087 337 PRO A N 2689 C CA . PRO A 342 ? 0.6153 0.9686 0.7369 -0.0009 -0.1373 0.0037 337 PRO A CA 2690 C C . PRO A 342 ? 0.6606 1.0207 0.7720 -0.0024 -0.1478 -0.0032 337 PRO A C 2691 O O . PRO A 342 ? 0.7610 1.1237 0.8524 -0.0013 -0.1540 0.0004 337 PRO A O 2692 C CB . PRO A 342 ? 0.5376 0.8936 0.6698 0.0026 -0.1436 0.0125 337 PRO A CB 2693 C CG . PRO A 342 ? 0.5564 0.9043 0.6790 0.0043 -0.1356 0.0213 337 PRO A CG 2694 C CD . PRO A 342 ? 0.6717 1.0161 0.7693 0.0023 -0.1307 0.0199 337 PRO A CD 2695 N N . ARG A 343 ? 0.7612 1.1241 0.8857 -0.0049 -0.1498 -0.0128 338 ARG A N 2696 C CA . ARG A 343 ? 0.7410 1.1091 0.8554 -0.0066 -0.1592 -0.0211 338 ARG A CA 2697 C C . ARG A 343 ? 0.8525 1.2294 0.9655 -0.0049 -0.1742 -0.0182 338 ARG A C 2698 O O . ARG A 343 ? 0.8705 1.2507 0.9629 -0.0048 -0.1815 -0.0204 338 ARG A O 2699 C CB . ARG A 343 ? 0.6625 1.0308 0.7944 -0.0101 -0.1587 -0.0318 338 ARG A CB 2700 C CG . ARG A 343 ? 0.7159 1.0884 0.8379 -0.0119 -0.1686 -0.0417 338 ARG A CG 2701 C CD . ARG A 343 ? 0.8320 1.1989 0.9563 -0.0152 -0.1627 -0.0523 338 ARG A CD 2702 N NE . ARG A 343 ? 1.0042 1.3739 1.1546 -0.0184 -0.1670 -0.0586 338 ARG A NE 2703 C CZ . ARG A 343 ? 1.0349 1.4016 1.1897 -0.0219 -0.1671 -0.0691 338 ARG A CZ 2704 N NH1 . ARG A 343 ? 1.1254 1.4951 1.3055 -0.0253 -0.1712 -0.0738 338 ARG A NH1 2705 N NH2 . ARG A 343 ? 0.9771 1.3379 1.1118 -0.0219 -0.1632 -0.0749 338 ARG A NH2 2706 N N . LYS A 344 ? 1.0165 1.3974 1.1510 -0.0033 -0.1787 -0.0132 339 LYS A N 2707 C CA . LYS A 344 ? 0.9975 1.3871 1.1337 -0.0015 -0.1938 -0.0104 339 LYS A CA 2708 C C . LYS A 344 ? 0.9694 1.3590 1.1094 0.0025 -0.1956 0.0020 339 LYS A C 2709 O O . LYS A 344 ? 1.0556 1.4487 1.1822 0.0045 -0.2055 0.0080 339 LYS A O 2710 C CB . LYS A 344 ? 0.8258 1.2228 0.9878 -0.0034 -0.2017 -0.0178 339 LYS A CB 2711 C CG . LYS A 344 ? 1.1637 1.5704 1.3266 -0.0020 -0.2188 -0.0165 339 LYS A CG 2712 C CD . LYS A 344 ? 1.2207 1.6284 1.3522 -0.0023 -0.2261 -0.0189 339 LYS A CD 2713 C CE . LYS A 344 ? 1.3468 1.7641 1.4776 -0.0010 -0.2440 -0.0177 339 LYS A CE 2714 N NZ . LYS A 344 ? 1.4108 1.8297 1.5096 -0.0013 -0.2509 -0.0205 339 LYS A NZ 2715 N N . GLU A 345 ? 0.9770 1.3622 1.1351 0.0037 -0.1862 0.0058 340 GLU A N 2716 C CA . GLU A 345 ? 1.0289 1.4131 1.1942 0.0079 -0.1873 0.0166 340 GLU A CA 2717 C C . GLU A 345 ? 1.0651 1.4437 1.2034 0.0094 -0.1866 0.0255 340 GLU A C 2718 O O . GLU A 345 ? 1.1685 1.5406 1.2895 0.0077 -0.1770 0.0248 340 GLU A O 2719 C CB . GLU A 345 ? 1.0393 1.4184 1.2252 0.0088 -0.1751 0.0176 340 GLU A CB 2720 C CG . GLU A 345 ? 1.1115 1.4894 1.3091 0.0136 -0.1764 0.0272 340 GLU A CG 2721 C CD . GLU A 345 ? 1.1214 1.5085 1.3488 0.0157 -0.1836 0.0260 340 GLU A CD 2722 O OE1 . GLU A 345 ? 1.0216 1.4144 1.2653 0.0129 -0.1830 0.0176 340 GLU A OE1 2723 O OE2 . GLU A 345 ? 1.1515 1.5402 1.3869 0.0202 -0.1901 0.0335 340 GLU A OE2 2724 N N . PRO A 346 ? 0.8467 1.2282 0.9822 0.0126 -0.1970 0.0343 341 PRO A N 2725 C CA . PRO A 346 ? 0.8734 1.2494 0.9853 0.0138 -0.1965 0.0445 341 PRO A CA 2726 C C . PRO A 346 ? 0.8568 1.2227 0.9724 0.0149 -0.1838 0.0502 341 PRO A C 2727 O O . PRO A 346 ? 0.8303 1.1946 0.9690 0.0173 -0.1812 0.0512 341 PRO A O 2728 C CB . PRO A 346 ? 0.8537 1.2350 0.9689 0.0172 -0.2112 0.0527 341 PRO A CB 2729 C CG . PRO A 346 ? 0.8223 1.2093 0.9696 0.0190 -0.2153 0.0486 341 PRO A CG 2730 C CD . PRO A 346 ? 0.8405 1.2304 0.9956 0.0151 -0.2100 0.0358 341 PRO A CD 2731 N N . GLU A 347 ? 1.2983 1.6577 1.3916 0.0133 -0.1762 0.0534 342 GLU A N 2732 C CA . GLU A 347 ? 1.2398 1.5892 1.3348 0.0137 -0.1640 0.0578 342 GLU A CA 2733 C C . GLU A 347 ? 1.2332 1.5781 1.3377 0.0176 -0.1672 0.0685 342 GLU A C 2734 O O . GLU A 347 ? 1.2210 1.5575 1.3319 0.0186 -0.1582 0.0713 342 GLU A O 2735 C CB . GLU A 347 ? 1.1664 1.5113 1.2352 0.0110 -0.1568 0.0598 342 GLU A CB 2736 C CG . GLU A 347 ? 1.0845 1.4316 1.1449 0.0077 -0.1510 0.0489 342 GLU A CG 2737 C CD . GLU A 347 ? 1.1335 1.4753 1.1733 0.0057 -0.1413 0.0508 342 GLU A CD 2738 O OE1 . GLU A 347 ? 1.1463 1.4902 1.1753 0.0034 -0.1376 0.0429 342 GLU A OE1 2739 O OE2 . GLU A 347 ? 1.1767 1.5123 1.2120 0.0063 -0.1375 0.0601 342 GLU A OE2 2740 N N . SER A 348 ? 1.0227 1.3728 1.1281 0.0200 -0.1804 0.0742 343 SER A N 2741 C CA . SER A 348 ? 1.0168 1.3622 1.1303 0.0240 -0.1851 0.0849 343 SER A CA 2742 C C . SER A 348 ? 1.0601 1.4026 1.2022 0.0274 -0.1801 0.0826 343 SER A C 2743 O O . SER A 348 ? 1.0416 1.3751 1.1878 0.0297 -0.1754 0.0888 343 SER A O 2744 C CB . SER A 348 ? 1.1589 1.5118 1.2708 0.0262 -0.2014 0.0904 343 SER A CB 2745 O OG . SER A 348 ? 1.1864 1.5448 1.3259 0.0297 -0.2079 0.0876 343 SER A OG 2746 N N . ASN A 349 ? 1.0678 1.4181 1.2298 0.0275 -0.1811 0.0737 344 ASN A N 2747 C CA . ASN A 349 ? 1.0340 1.3838 1.2244 0.0309 -0.1768 0.0713 344 ASN A CA 2748 C C . ASN A 349 ? 1.0012 1.3470 1.1980 0.0286 -0.1617 0.0634 344 ASN A C 2749 O O . ASN A 349 ? 0.9162 1.2654 1.1366 0.0300 -0.1579 0.0582 344 ASN A O 2750 C CB . ASN A 349 ? 1.1243 1.4861 1.3368 0.0329 -0.1874 0.0675 344 ASN A CB 2751 C CG . ASN A 349 ? 1.1123 1.4828 1.3220 0.0283 -0.1897 0.0578 344 ASN A CG 2752 O OD1 . ASN A 349 ? 1.0872 1.4544 1.2814 0.0241 -0.1817 0.0528 344 ASN A OD1 2753 N ND2 . ASN A 349 ? 0.9300 1.3116 1.1555 0.0292 -0.2010 0.0549 344 ASN A ND2 2754 N N . LEU A 350 ? 1.0579 1.3969 1.2338 0.0251 -0.1532 0.0630 345 LEU A N 2755 C CA . LEU A 350 ? 0.9365 1.2701 1.1160 0.0231 -0.1390 0.0569 345 LEU A CA 2756 C C . LEU A 350 ? 0.9061 1.2278 1.0798 0.0246 -0.1308 0.0629 345 LEU A C 2757 O O . LEU A 350 ? 0.9436 1.2607 1.1074 0.0263 -0.1357 0.0718 345 LEU A O 2758 C CB . LEU A 350 ? 0.9249 1.2596 1.0874 0.0180 -0.1348 0.0504 345 LEU A CB 2759 C CG . LEU A 350 ? 0.9586 1.3027 1.1315 0.0156 -0.1382 0.0409 345 LEU A CG 2760 C CD1 . LEU A 350 ? 1.0748 1.4258 1.2331 0.0144 -0.1501 0.0407 345 LEU A CD1 2761 C CD2 . LEU A 350 ? 0.8426 1.1833 1.0133 0.0119 -0.1267 0.0331 345 LEU A CD2 2762 N N . VAL A 351 ? 0.7310 1.0476 0.9107 0.0237 -0.1186 0.0582 346 VAL A N 2763 C CA . VAL A 351 ? 0.7433 1.0483 0.9174 0.0247 -0.1103 0.0625 346 VAL A CA 2764 C C . VAL A 351 ? 0.7445 1.0442 0.8955 0.0203 -0.1036 0.0622 346 VAL A C 2765 O O . VAL A 351 ? 0.6918 0.9936 0.8402 0.0171 -0.0976 0.0551 346 VAL A O 2766 C CB . VAL A 351 ? 0.7420 1.0441 0.9352 0.0268 -0.1007 0.0579 346 VAL A CB 2767 C CG1 . VAL A 351 ? 0.6780 0.9675 0.8641 0.0279 -0.0931 0.0619 346 VAL A CG1 2768 C CG2 . VAL A 351 ? 0.7582 1.0669 0.9760 0.0315 -0.1067 0.0577 346 VAL A CG2 2769 N N . ARG A 352 ? 0.7756 1.0686 0.9109 0.0201 -0.1048 0.0702 347 ARG A N 2770 C CA . ARG A 352 ? 0.7798 1.0690 0.8935 0.0160 -0.0992 0.0709 347 ARG A CA 2771 C C . ARG A 352 ? 0.8000 1.0777 0.9097 0.0160 -0.0912 0.0748 347 ARG A C 2772 O O . ARG A 352 ? 0.7893 1.0608 0.9073 0.0192 -0.0930 0.0800 347 ARG A O 2773 C CB . ARG A 352 ? 0.7673 1.0606 0.8624 0.0145 -0.1077 0.0770 347 ARG A CB 2774 C CG . ARG A 352 ? 0.8859 1.1742 0.9777 0.0166 -0.1142 0.0883 347 ARG A CG 2775 C CD . ARG A 352 ? 1.0083 1.3040 1.0875 0.0161 -0.1252 0.0935 347 ARG A CD 2776 N NE . ARG A 352 ? 1.2810 1.5851 1.3743 0.0187 -0.1344 0.0901 347 ARG A NE 2777 C CZ . ARG A 352 ? 1.3623 1.6753 1.4470 0.0181 -0.1441 0.0907 347 ARG A CZ 2778 N NH1 . ARG A 352 ? 1.2912 1.6060 1.3521 0.0151 -0.1453 0.0944 347 ARG A NH1 2779 N NH2 . ARG A 352 ? 1.3171 1.6377 1.4169 0.0205 -0.1526 0.0873 347 ARG A NH2 2780 N N . SER A 353 ? 0.7970 1.0716 0.8945 0.0126 -0.0828 0.0720 348 SER A N 2781 C CA . SER A 353 ? 0.7918 1.0559 0.8830 0.0118 -0.0761 0.0759 348 SER A CA 2782 C C . SER A 353 ? 0.7894 1.0503 0.8678 0.0112 -0.0818 0.0863 348 SER A C 2783 O O . SER A 353 ? 0.9222 1.1884 0.9853 0.0086 -0.0851 0.0891 348 SER A O 2784 C CB . SER A 353 ? 0.7610 1.0237 0.8418 0.0082 -0.0668 0.0708 348 SER A CB 2785 O OG . SER A 353 ? 0.8051 1.0587 0.8776 0.0069 -0.0618 0.0754 348 SER A OG 2786 N N . MET A 354 ? 0.6988 0.9509 0.7837 0.0136 -0.0830 0.0921 349 MET A N 2787 C CA . MET A 354 ? 0.7161 0.9636 0.7905 0.0128 -0.0885 0.1030 349 MET A CA 2788 C C . MET A 354 ? 0.7211 0.9592 0.7862 0.0099 -0.0812 0.1057 349 MET A C 2789 O O . MET A 354 ? 0.7832 1.0121 0.8488 0.0104 -0.0831 0.1130 349 MET A O 2790 C CB . MET A 354 ? 0.7802 1.0234 0.8682 0.0175 -0.0963 0.1084 349 MET A CB 2791 C CG . MET A 354 ? 0.7685 1.0217 0.8660 0.0204 -0.1051 0.1070 349 MET A CG 2792 S SD . MET A 354 ? 1.1539 1.4129 1.2366 0.0192 -0.1175 0.1175 349 MET A SD 2793 C CE . MET A 354 ? 0.9194 1.1874 0.9806 0.0136 -0.1133 0.1133 349 MET A CE 2794 N N . VAL A 355 ? 0.7611 1.0015 0.8184 0.0067 -0.0733 0.0999 350 VAL A N 2795 C CA . VAL A 355 ? 0.7173 0.9497 0.7673 0.0039 -0.0660 0.1011 350 VAL A CA 2796 C C . VAL A 355 ? 0.6968 0.9358 0.7319 -0.0003 -0.0613 0.0987 350 VAL A C 2797 O O . VAL A 355 ? 0.7320 0.9799 0.7656 -0.0004 -0.0613 0.0926 350 VAL A O 2798 C CB . VAL A 355 ? 0.6641 0.8888 0.7262 0.0060 -0.0589 0.0944 350 VAL A CB 2799 C CG1 . VAL A 355 ? 0.5838 0.8131 0.6448 0.0044 -0.0513 0.0851 350 VAL A CG1 2800 C CG2 . VAL A 355 ? 0.7411 0.9539 0.8003 0.0048 -0.0561 0.0990 350 VAL A CG2 2801 N N . THR A 356 ? 0.8061 1.0407 0.8310 -0.0037 -0.0576 0.1033 351 THR A N 2802 C CA . THR A 356 ? 0.7670 1.0080 0.7784 -0.0073 -0.0528 0.1015 351 THR A CA 2803 C C . THR A 356 ? 0.7544 0.9884 0.7631 -0.0098 -0.0454 0.1013 351 THR A C 2804 O O . THR A 356 ? 0.8759 1.1010 0.8859 -0.0106 -0.0460 0.1074 351 THR A O 2805 C CB . THR A 356 ? 0.7678 1.0157 0.7651 -0.0098 -0.0576 0.1097 351 THR A CB 2806 O OG1 . THR A 356 ? 0.9865 1.2393 0.9861 -0.0073 -0.0662 0.1117 351 THR A OG1 2807 C CG2 . THR A 356 ? 0.8014 1.0587 0.7861 -0.0124 -0.0529 0.1056 351 THR A CG2 2808 N N . ALA A 357 ? 0.8021 1.0397 0.8074 -0.0110 -0.0389 0.0942 352 ALA A N 2809 C CA . ALA A 357 ? 0.8268 1.0591 0.8289 -0.0135 -0.0323 0.0937 352 ALA A CA 2810 C C . ALA A 357 ? 0.7036 0.9388 0.6937 -0.0174 -0.0326 0.1018 352 ALA A C 2811 O O . ALA A 357 ? 0.8759 1.1055 0.8644 -0.0199 -0.0292 0.1046 352 ALA A O 2812 C CB . ALA A 357 ? 0.7955 1.0312 0.7975 -0.0134 -0.0260 0.0843 352 ALA A CB 2813 N N . HIS B 1 ? 0.9117 1.5447 1.4159 0.0504 0.1921 0.3210 -4 HIS B N 2814 C CA . HIS B 1 ? 0.8874 1.5003 1.3509 0.0624 0.2003 0.3093 -4 HIS B CA 2815 C C . HIS B 1 ? 0.8896 1.4733 1.3335 0.0640 0.1853 0.2931 -4 HIS B C 2816 O O . HIS B 1 ? 0.9606 1.5345 1.3853 0.0770 0.1894 0.2822 -4 HIS B O 2817 C CB . HIS B 1 ? 0.8404 1.4430 1.2791 0.0574 0.2071 0.3130 -4 HIS B CB 2818 C CG . HIS B 1 ? 0.9673 1.5768 1.3848 0.0705 0.2272 0.3134 -4 HIS B CG 2819 N ND1 . HIS B 1 ? 0.9773 1.5685 1.3616 0.0838 0.2314 0.2990 -4 HIS B ND1 2820 C CD2 . HIS B 1 ? 0.9970 1.6289 1.4207 0.0723 0.2442 0.3264 -4 HIS B CD2 2821 C CE1 . HIS B 1 ? 0.9624 1.5638 1.3325 0.0937 0.2498 0.3024 -4 HIS B CE1 2822 N NE2 . HIS B 1 ? 0.9112 1.5379 1.3045 0.0872 0.2584 0.3191 -4 HIS B NE2 2823 N N . HIS B 2 ? 0.9105 1.4798 1.3590 0.0510 0.1681 0.2913 -3 HIS B N 2824 C CA . HIS B 2 ? 0.8927 1.4375 1.3259 0.0533 0.1546 0.2767 -3 HIS B CA 2825 C C . HIS B 2 ? 0.8563 1.3996 1.3123 0.0413 0.1365 0.2781 -3 HIS B C 2826 O O . HIS B 2 ? 0.8186 1.3670 1.2899 0.0283 0.1315 0.2870 -3 HIS B O 2827 C CB . HIS B 2 ? 0.9868 1.5010 1.3805 0.0534 0.1525 0.2653 -3 HIS B CB 2828 C CG . HIS B 2 ? 0.8967 1.4105 1.2764 0.0493 0.1614 0.2717 -3 HIS B CG 2829 N ND1 . HIS B 2 ? 0.8690 1.3772 1.2201 0.0591 0.1746 0.2675 -3 HIS B ND1 2830 C CD2 . HIS B 2 ? 0.8315 1.3502 1.2220 0.0367 0.1589 0.2824 -3 HIS B CD2 2831 C CE1 . HIS B 2 ? 0.8556 1.3655 1.1996 0.0528 0.1797 0.2756 -3 HIS B CE1 2832 N NE2 . HIS B 2 ? 0.8491 1.3651 1.2168 0.0393 0.1706 0.2850 -3 HIS B NE2 2833 N N . HIS B 3 ? 0.9749 1.5100 1.4320 0.0458 0.1265 0.2692 -2 HIS B N 2834 C CA . HIS B 3 ? 0.9938 1.5293 1.4731 0.0359 0.1093 0.2702 -2 HIS B CA 2835 C C . HIS B 3 ? 0.9546 1.4591 1.4112 0.0298 0.0951 0.2589 -2 HIS B C 2836 O O . HIS B 3 ? 0.9726 1.4703 1.4368 0.0265 0.0808 0.2544 -2 HIS B O 2837 C CB . HIS B 3 ? 1.1109 1.6609 1.6102 0.0446 0.1064 0.2694 -2 HIS B CB 2838 C CG . HIS B 3 ? 1.2055 1.7849 1.7471 0.0378 0.1028 0.2821 -2 HIS B CG 2839 N ND1 . HIS B 3 ? 1.1086 1.6868 1.6688 0.0234 0.0863 0.2851 -2 HIS B ND1 2840 C CD2 . HIS B 3 ? 1.1416 1.7530 1.7112 0.0432 0.1133 0.2925 -2 HIS B CD2 2841 C CE1 . HIS B 3 ? 1.1562 1.7640 1.7544 0.0195 0.0863 0.2968 -2 HIS B CE1 2842 N NE2 . HIS B 3 ? 1.1415 1.7709 1.7470 0.0313 0.1028 0.3018 -2 HIS B NE2 2843 N N . HIS B 4 ? 0.8591 1.3452 1.2875 0.0286 0.0991 0.2544 -1 HIS B N 2844 C CA . HIS B 4 ? 0.7717 1.2291 1.1777 0.0239 0.0872 0.2432 -1 HIS B CA 2845 C C . HIS B 4 ? 0.8381 1.2873 1.2442 0.0107 0.0806 0.2471 -1 HIS B C 2846 O O . HIS B 4 ? 0.9238 1.3876 1.3444 0.0048 0.0859 0.2587 -1 HIS B O 2847 C CB . HIS B 4 ? 0.7807 1.2194 1.1520 0.0337 0.0944 0.2321 -1 HIS B CB 2848 C CG . HIS B 4 ? 0.7360 1.1656 1.0993 0.0432 0.0912 0.2222 -1 HIS B CG 2849 N ND1 . HIS B 4 ? 0.6401 1.0594 1.0080 0.0393 0.0765 0.2170 -1 HIS B ND1 2850 C CD2 . HIS B 4 ? 0.6820 1.1107 1.0327 0.0565 0.1007 0.2170 -1 HIS B CD2 2851 C CE1 . HIS B 4 ? 0.6824 1.0948 1.0407 0.0496 0.0771 0.2096 -1 HIS B CE1 2852 N NE2 . HIS B 4 ? 0.7001 1.1177 1.0484 0.0602 0.0916 0.2093 -1 HIS B NE2 2853 N N . HIS B 5 ? 0.9275 1.3527 1.3171 0.0063 0.0691 0.2375 0 HIS B N 2854 C CA . HIS B 5 ? 0.9494 1.3640 1.3388 -0.0057 0.0608 0.2397 0 HIS B CA 2855 C C . HIS B 5 ? 1.0118 1.4145 1.3752 -0.0045 0.0685 0.2377 0 HIS B C 2856 O O . HIS B 5 ? 0.9523 1.3552 1.3187 -0.0123 0.0685 0.2450 0 HIS B O 2857 C CB . HIS B 5 ? 1.0540 1.4491 1.4395 -0.0110 0.0441 0.2301 0 HIS B CB 2858 C CG . HIS B 5 ? 0.9916 1.3813 1.3712 -0.0029 0.0402 0.2207 0 HIS B CG 2859 N ND1 . HIS B 5 ? 0.9055 1.2922 1.2669 0.0089 0.0499 0.2146 0 HIS B ND1 2860 C CD2 . HIS B 5 ? 0.8856 1.2715 1.2744 -0.0049 0.0274 0.2167 0 HIS B CD2 2861 C CE1 . HIS B 5 ? 0.8596 1.2408 1.2197 0.0137 0.0435 0.2079 0 HIS B CE1 2862 N NE2 . HIS B 5 ? 0.8595 1.2404 1.2356 0.0057 0.0299 0.2091 0 HIS B NE2 2863 N N . HIS B 6 ? 1.1023 1.4940 1.4400 0.0051 0.0745 0.2279 1 HIS B N 2864 C CA . HIS B 6 ? 0.9903 1.3703 1.3015 0.0072 0.0811 0.2245 1 HIS B CA 2865 C C . HIS B 6 ? 0.9788 1.3655 1.2765 0.0191 0.0956 0.2229 1 HIS B C 2866 O O . HIS B 6 ? 1.0084 1.3963 1.3056 0.0272 0.0975 0.2174 1 HIS B O 2867 C CB . HIS B 6 ? 0.9762 1.3311 1.2645 0.0069 0.0726 0.2111 1 HIS B CB 2868 C CG . HIS B 6 ? 1.0739 1.4179 1.3696 -0.0034 0.0584 0.2099 1 HIS B CG 2869 N ND1 . HIS B 6 ? 1.1225 1.4676 1.4357 -0.0070 0.0479 0.2091 1 HIS B ND1 2870 C CD2 . HIS B 6 ? 1.1299 1.4605 1.4166 -0.0101 0.0525 0.2086 1 HIS B CD2 2871 C CE1 . HIS B 6 ? 1.0927 1.4251 1.4068 -0.0156 0.0366 0.2070 1 HIS B CE1 2872 N NE2 . HIS B 6 ? 1.1170 1.4406 1.4158 -0.0174 0.0393 0.2068 1 HIS B NE2 2873 N N . VAL B 7 ? 0.6687 1.0580 0.9536 0.0203 0.1053 0.2272 2 VAL B N 2874 C CA . VAL B 7 ? 0.6606 1.0530 0.9271 0.0318 0.1192 0.2244 2 VAL B CA 2875 C C . VAL B 7 ? 0.6725 1.0514 0.9114 0.0312 0.1218 0.2211 2 VAL B C 2876 O O . VAL B 7 ? 0.6443 1.0237 0.8857 0.0232 0.1195 0.2286 2 VAL B O 2877 C CB . VAL B 7 ? 0.6759 1.0948 0.9604 0.0360 0.1323 0.2368 2 VAL B CB 2878 C CG1 . VAL B 7 ? 0.8089 1.2294 1.0713 0.0486 0.1473 0.2331 2 VAL B CG1 2879 C CG2 . VAL B 7 ? 0.7177 1.1515 1.0311 0.0369 0.1290 0.2399 2 VAL B CG2 2880 N N . GLY B 8 ? 0.6957 1.0617 0.9085 0.0396 0.1259 0.2098 3 GLY B N 2881 C CA . GLY B 8 ? 0.7445 1.0974 0.9301 0.0396 0.1273 0.2054 3 GLY B CA 2882 C C . GLY B 8 ? 0.7821 1.1324 0.9439 0.0511 0.1388 0.1987 3 GLY B C 2883 O O . GLY B 8 ? 0.7676 1.1202 0.9308 0.0596 0.1436 0.1940 3 GLY B O 2884 N N . CYS B 9 ? 0.6618 1.0066 0.8012 0.0518 0.1428 0.1982 4 CYS B N 2885 C CA . CYS B 9 ? 0.7156 1.0555 0.8289 0.0624 0.1528 0.1908 4 CYS B CA 2886 C C . CYS B 9 ? 0.7055 1.0250 0.7911 0.0606 0.1465 0.1803 4 CYS B C 2887 O O . CYS B 9 ? 0.6593 0.9761 0.7408 0.0537 0.1416 0.1845 4 CYS B O 2888 C CB . CYS B 9 ? 0.6806 1.0385 0.7924 0.0671 0.1670 0.2019 4 CYS B CB 2889 S SG . CYS B 9 ? 0.8462 1.2325 0.9953 0.0666 0.1742 0.2175 4 CYS B SG 2890 N N . SER B 10 ? 0.6356 0.9404 0.7030 0.0669 0.1465 0.1668 5 SER B N 2891 C CA . SER B 10 ? 0.7346 1.0214 0.7749 0.0662 0.1420 0.1562 5 SER B CA 2892 C C . SER B 10 ? 0.7697 1.0584 0.7860 0.0747 0.1532 0.1553 5 SER B C 2893 O O . SER B 10 ? 0.8452 1.1430 0.8618 0.0839 0.1647 0.1570 5 SER B O 2894 C CB . SER B 10 ? 0.7776 1.0463 0.8105 0.0673 0.1354 0.1421 5 SER B CB 2895 O OG . SER B 10 ? 0.6421 0.9082 0.6942 0.0594 0.1248 0.1426 5 SER B OG 2896 N N . VAL B 11 ? 0.7696 1.0499 0.7649 0.0721 0.1499 0.1526 6 VAL B N 2897 C CA . VAL B 11 ? 0.7728 1.0548 0.7433 0.0794 0.1596 0.1526 6 VAL B CA 2898 C C . VAL B 11 ? 0.8408 1.1035 0.7823 0.0838 0.1573 0.1366 6 VAL B C 2899 O O . VAL B 11 ? 0.9516 1.2009 0.8848 0.0776 0.1462 0.1294 6 VAL B O 2900 C CB . VAL B 11 ? 0.7694 1.0578 0.7351 0.0741 0.1585 0.1631 6 VAL B CB 2901 C CG1 . VAL B 11 ? 0.8442 1.1355 0.7833 0.0825 0.1697 0.1639 6 VAL B CG1 2902 C CG2 . VAL B 11 ? 0.7613 1.0671 0.7566 0.0681 0.1597 0.1791 6 VAL B CG2 2903 N N . ASP B 12 ? 0.8554 1.1164 0.7818 0.0945 0.1675 0.1309 7 ASP B N 2904 C CA . ASP B 12 ? 1.0010 1.2441 0.8972 0.0982 0.1655 0.1170 7 ASP B CA 2905 C C . ASP B 12 ? 1.0989 1.3488 0.9747 0.1028 0.1735 0.1221 7 ASP B C 2906 O O . ASP B 12 ? 1.2444 1.5037 1.1159 0.1122 0.1867 0.1255 7 ASP B O 2907 C CB . ASP B 12 ? 1.0485 1.2815 0.9360 0.1078 0.1714 0.1058 7 ASP B CB 2908 C CG . ASP B 12 ? 1.1280 1.3412 0.9827 0.1113 0.1692 0.0910 7 ASP B CG 2909 O OD1 . ASP B 12 ? 1.2270 1.4296 1.0699 0.1198 0.1743 0.0811 7 ASP B OD1 2910 O OD2 . ASP B 12 ? 1.1391 1.3468 0.9796 0.1054 0.1616 0.0890 7 ASP B OD2 2911 N N . PHE B 13 ? 1.1209 1.3620 0.9796 0.0974 0.1648 0.1189 8 PHE B N 2912 C CA . PHE B 13 ? 1.1970 1.4433 1.0388 0.0970 0.1663 0.1258 8 PHE B CA 2913 C C . PHE B 13 ? 1.3374 1.5732 1.1419 0.1048 0.1699 0.1158 8 PHE B C 2914 O O . PHE B 13 ? 1.3826 1.6125 1.1678 0.1015 0.1628 0.1142 8 PHE B O 2915 C CB . PHE B 13 ? 1.2130 1.4550 1.0624 0.0854 0.1514 0.1276 8 PHE B CB 2916 C CG . PHE B 13 ? 1.2255 1.4822 1.0926 0.0795 0.1514 0.1445 8 PHE B CG 2917 C CD1 . PHE B 13 ? 1.2406 1.4950 1.1244 0.0695 0.1389 0.1472 8 PHE B CD1 2918 C CD2 . PHE B 13 ? 1.1825 1.4545 1.0494 0.0839 0.1636 0.1573 8 PHE B CD2 2919 C CE1 . PHE B 13 ? 1.1858 1.4514 1.0859 0.0638 0.1380 0.1623 8 PHE B CE1 2920 C CE2 . PHE B 13 ? 1.1143 1.3986 0.9984 0.0775 0.1631 0.1732 8 PHE B CE2 2921 C CZ . PHE B 13 ? 1.1243 1.4045 1.0247 0.0674 0.1499 0.1756 8 PHE B CZ 2922 N N . SER B 14 ? 1.5428 1.7752 1.3358 0.1153 0.1802 0.1085 9 SER B N 2923 C CA . SER B 14 ? 1.5946 1.8156 1.3509 0.1234 0.1839 0.0980 9 SER B CA 2924 C C . SER B 14 ? 1.5000 1.7204 1.2495 0.1361 0.1975 0.0925 9 SER B C 2925 O O . SER B 14 ? 1.5032 1.7247 1.2281 0.1459 0.2080 0.0911 9 SER B O 2926 C CB . SER B 14 ? 1.6865 1.8848 1.4273 0.1193 0.1705 0.0810 9 SER B CB 2927 O OG . SER B 14 ? 1.6287 1.8252 1.3917 0.1075 0.1573 0.0823 9 SER B OG 2928 N N . LYS B 15 ? 1.2072 1.4259 0.9791 0.1362 0.1972 0.0896 10 LYS B N 2929 C CA . LYS B 15 ? 1.2429 1.4699 1.0255 0.1465 0.2102 0.0915 10 LYS B CA 2930 C C . LYS B 15 ? 1.2347 1.4872 1.0362 0.1507 0.2235 0.1077 10 LYS B C 2931 O O . LYS B 15 ? 1.2376 1.4975 1.0403 0.1619 0.2366 0.1081 10 LYS B O 2932 C CB . LYS B 15 ? 1.2190 1.4348 1.0208 0.1391 0.1984 0.0852 10 LYS B CB 2933 C CG . LYS B 15 ? 1.3080 1.5072 1.1020 0.1473 0.2007 0.0715 10 LYS B CG 2934 C CD . LYS B 15 ? 1.4006 1.5961 1.2214 0.1415 0.1930 0.0708 10 LYS B CD 2935 C CE . LYS B 15 ? 1.3618 1.5397 1.1780 0.1300 0.1773 0.0622 10 LYS B CE 2936 N NZ . LYS B 15 ? 1.2829 1.4360 1.0762 0.1339 0.1748 0.0454 10 LYS B NZ 2937 N N . LYS B 16 ? 1.4536 1.7200 1.2705 0.1413 0.2199 0.1216 11 LYS B N 2938 C CA . LYS B 16 ? 1.4581 1.7499 1.2969 0.1431 0.2318 0.1385 11 LYS B CA 2939 C C . LYS B 16 ? 1.4403 1.7416 1.3134 0.1433 0.2331 0.1419 11 LYS B C 2940 O O . LYS B 16 ? 1.4499 1.7722 1.3424 0.1472 0.2442 0.1534 11 LYS B O 2941 C CB . LYS B 16 ? 1.4442 1.7445 1.2617 0.1563 0.2492 0.1403 11 LYS B CB 2942 C CG . LYS B 16 ? 1.5409 1.8229 1.3292 0.1685 0.2534 0.1227 11 LYS B CG 2943 C CD . LYS B 16 ? 1.6848 1.9779 1.4576 0.1833 0.2728 0.1250 11 LYS B CD 2944 C CE . LYS B 16 ? 1.7722 2.0481 1.4996 0.1905 0.2746 0.1128 11 LYS B CE 2945 N NZ . LYS B 16 ? 1.7785 2.0692 1.4886 0.2016 0.2927 0.1202 11 LYS B NZ 2946 N N . GLU B 17 ? 1.2739 1.5598 1.1540 0.1390 0.2214 0.1318 12 GLU B N 2947 C CA . GLU B 17 ? 1.1999 1.4912 1.1096 0.1391 0.2202 0.1333 12 GLU B CA 2948 C C . GLU B 17 ? 1.0261 1.3280 0.9644 0.1261 0.2112 0.1448 12 GLU B C 2949 O O . GLU B 17 ? 1.0347 1.3341 0.9676 0.1174 0.2038 0.1482 12 GLU B O 2950 C CB . GLU B 17 ? 1.2333 1.5012 1.1346 0.1400 0.2116 0.1173 12 GLU B CB 2951 C CG . GLU B 17 ? 1.3447 1.6028 1.2266 0.1542 0.2212 0.1063 12 GLU B CG 2952 C CD . GLU B 17 ? 1.5044 1.7730 1.4099 0.1621 0.2281 0.1095 12 GLU B CD 2953 O OE1 . GLU B 17 ? 1.7589 2.0292 1.6894 0.1556 0.2199 0.1124 12 GLU B OE1 2954 O OE2 . GLU B 17 ? 1.6692 1.9446 1.5680 0.1752 0.2418 0.1091 12 GLU B OE2 2955 N N . THR B 18 ? 0.9785 1.2918 0.9474 0.1252 0.2111 0.1507 13 THR B N 2956 C CA . THR B 18 ? 0.9176 1.2411 0.9142 0.1129 0.2024 0.1618 13 THR B CA 2957 C C . THR B 18 ? 0.9019 1.2315 0.9278 0.1125 0.1992 0.1633 13 THR B C 2958 O O . THR B 18 ? 1.0371 1.3854 1.0816 0.1183 0.2086 0.1711 13 THR B O 2959 C CB . THR B 18 ? 0.9472 1.2928 0.9542 0.1104 0.2107 0.1787 13 THR B CB 2960 O OG1 . THR B 18 ? 0.9053 1.2632 0.9457 0.1005 0.2042 0.1896 13 THR B OG1 2961 C CG2 . THR B 18 ? 1.0632 1.4257 1.0697 0.1227 0.2285 0.1835 13 THR B CG2 2962 N N . ARG B 19 ? 0.9152 1.2299 0.9458 0.1056 0.1857 0.1560 14 ARG B N 2963 C CA . ARG B 19 ? 0.9135 1.2312 0.9676 0.1065 0.1821 0.1558 14 ARG B CA 2964 C C . ARG B 19 ? 0.9372 1.2669 1.0213 0.0956 0.1739 0.1665 14 ARG B C 2965 O O . ARG B 19 ? 0.8964 1.2160 0.9810 0.0854 0.1621 0.1650 14 ARG B O 2966 C CB . ARG B 19 ? 0.9071 1.2009 0.9486 0.1069 0.1734 0.1413 14 ARG B CB 2967 C CG . ARG B 19 ? 0.9891 1.2848 1.0534 0.1072 0.1685 0.1416 14 ARG B CG 2968 C CD . ARG B 19 ? 1.1385 1.4107 1.1875 0.1099 0.1631 0.1278 14 ARG B CD 2969 N NE . ARG B 19 ? 1.1694 1.4287 1.2203 0.0986 0.1494 0.1241 14 ARG B NE 2970 C CZ . ARG B 19 ? 1.1112 1.3677 1.1780 0.0954 0.1414 0.1239 14 ARG B CZ 2971 N NH1 . ARG B 19 ? 1.0518 1.2965 1.1183 0.0856 0.1300 0.1202 14 ARG B NH1 2972 N NH2 . ARG B 19 ? 1.0450 1.3107 1.1277 0.1026 0.1450 0.1274 14 ARG B NH2 2973 N N . CYS B 20 ? 0.8559 1.2071 0.9658 0.0980 0.1798 0.1770 15 CYS B N 2974 C CA . CYS B 20 ? 0.8553 1.2181 0.9952 0.0877 0.1716 0.1870 15 CYS B CA 2975 C C . CYS B 20 ? 0.8560 1.2166 1.0130 0.0890 0.1645 0.1830 15 CYS B C 2976 O O . CYS B 20 ? 0.9503 1.3044 1.0993 0.0990 0.1683 0.1750 15 CYS B O 2977 C CB . CYS B 20 ? 0.7199 1.1093 0.8803 0.0872 0.1813 0.2027 15 CYS B CB 2978 S SG . CYS B 20 ? 0.7644 1.1565 0.9037 0.0853 0.1897 0.2094 15 CYS B SG 2979 N N . GLY B 21 ? 0.7167 1.0819 0.8966 0.0789 0.1538 0.1886 16 GLY B N 2980 C CA . GLY B 21 ? 0.5704 0.9334 0.7665 0.0789 0.1453 0.1856 16 GLY B CA 2981 C C . GLY B 21 ? 0.7422 1.1045 0.9557 0.0659 0.1316 0.1898 16 GLY B C 2982 O O . GLY B 21 ? 0.7703 1.1357 0.9863 0.0574 0.1297 0.1963 16 GLY B O 2983 N N . THR B 22 ? 0.7805 1.1376 1.0048 0.0648 0.1220 0.1860 17 THR B N 2984 C CA . THR B 22 ? 0.7539 1.1089 0.9937 0.0532 0.1084 0.1887 17 THR B CA 2985 C C . THR B 22 ? 0.7554 1.0858 0.9782 0.0503 0.0979 0.1767 17 THR B C 2986 O O . THR B 22 ? 0.7616 1.0793 0.9681 0.0577 0.0999 0.1673 17 THR B O 2987 C CB . THR B 22 ? 0.7873 1.1596 1.0578 0.0526 0.1043 0.1960 17 THR B CB 2988 O OG1 . THR B 22 ? 0.8144 1.1807 1.0961 0.0418 0.0899 0.1963 17 THR B OG1 2989 C CG2 . THR B 22 ? 0.7713 1.1411 1.0399 0.0635 0.1058 0.1897 17 THR B CG2 2990 N N . GLY B 23 ? 0.6097 0.9332 0.8365 0.0397 0.0872 0.1771 18 GLY B N 2991 C CA . GLY B 23 ? 0.7011 1.0030 0.9136 0.0364 0.0776 0.1665 18 GLY B CA 2992 C C . GLY B 23 ? 0.7502 1.0443 0.9619 0.0259 0.0689 0.1667 18 GLY B C 2993 O O . GLY B 23 ? 0.7174 1.0221 0.9467 0.0191 0.0658 0.1758 18 GLY B O 2994 N N . VAL B 24 ? 0.7173 0.9925 0.9091 0.0245 0.0649 0.1567 19 VAL B N 2995 C CA . VAL B 24 ? 0.6944 0.9605 0.8841 0.0157 0.0565 0.1554 19 VAL B CA 2996 C C . VAL B 24 ? 0.6022 0.8605 0.7714 0.0160 0.0606 0.1517 19 VAL B C 2997 O O . VAL B 24 ? 0.6677 0.9167 0.8181 0.0213 0.0648 0.1433 19 VAL B O 2998 C CB . VAL B 24 ? 0.5471 0.7983 0.7337 0.0128 0.0463 0.1469 19 VAL B CB 2999 C CG1 . VAL B 24 ? 0.5292 0.7708 0.7127 0.0050 0.0385 0.1448 19 VAL B CG1 3000 C CG2 . VAL B 24 ? 0.5277 0.7861 0.7337 0.0122 0.0406 0.1507 19 VAL B CG2 3001 N N . PHE B 25 ? 0.5986 0.8605 0.7716 0.0103 0.0589 0.1579 20 PHE B N 3002 C CA . PHE B 25 ? 0.6504 0.9081 0.8056 0.0109 0.0628 0.1565 20 PHE B CA 3003 C C . PHE B 25 ? 0.6885 0.9363 0.8412 0.0038 0.0538 0.1546 20 PHE B C 3004 O O . PHE B 25 ? 0.5564 0.8082 0.7238 -0.0022 0.0486 0.1621 20 PHE B O 3005 C CB . PHE B 25 ? 0.6731 0.9463 0.8324 0.0128 0.0720 0.1676 20 PHE B CB 3006 C CG . PHE B 25 ? 0.6151 0.9014 0.7822 0.0197 0.0810 0.1713 20 PHE B CG 3007 C CD1 . PHE B 25 ? 0.6997 0.9803 0.8533 0.0280 0.0861 0.1625 20 PHE B CD1 3008 C CD2 . PHE B 25 ? 0.5757 0.8800 0.7648 0.0180 0.0842 0.1836 20 PHE B CD2 3009 C CE1 . PHE B 25 ? 0.6995 0.9919 0.8607 0.0354 0.0943 0.1657 20 PHE B CE1 3010 C CE2 . PHE B 25 ? 0.6546 0.9727 0.8527 0.0250 0.0926 0.1870 20 PHE B CE2 3011 C CZ . PHE B 25 ? 0.7108 1.0229 0.8948 0.0342 0.0977 0.1779 20 PHE B CZ 3012 N N . VAL B 26 ? 0.6025 0.8373 0.7372 0.0047 0.0518 0.1445 21 VAL B N 3013 C CA . VAL B 26 ? 0.5507 0.7764 0.6822 -0.0008 0.0438 0.1417 21 VAL B CA 3014 C C . VAL B 26 ? 0.5068 0.7327 0.6240 0.0002 0.0468 0.1430 21 VAL B C 3015 O O . VAL B 26 ? 0.6602 0.8809 0.7597 0.0040 0.0502 0.1355 21 VAL B O 3016 C CB . VAL B 26 ? 0.5750 0.7869 0.6984 -0.0013 0.0384 0.1295 21 VAL B CB 3017 C CG1 . VAL B 26 ? 0.5459 0.7501 0.6672 -0.0061 0.0307 0.1266 21 VAL B CG1 3018 C CG2 . VAL B 26 ? 0.4801 0.6907 0.6151 -0.0018 0.0349 0.1281 21 VAL B CG2 3019 N N . TYR B 27 ? 0.4986 0.7300 0.6231 -0.0035 0.0452 0.1527 22 TYR B N 3020 C CA . TYR B 27 ? 0.6303 0.8625 0.7412 -0.0024 0.0475 0.1555 22 TYR B CA 3021 C C . TYR B 27 ? 0.7373 0.9590 0.8426 -0.0058 0.0386 0.1502 22 TYR B C 3022 O O . TYR B 27 ? 0.6838 0.8998 0.8001 -0.0099 0.0308 0.1481 22 TYR B O 3023 C CB . TYR B 27 ? 0.6516 0.8953 0.7718 -0.0042 0.0514 0.1701 22 TYR B CB 3024 C CG . TYR B 27 ? 0.7162 0.9728 0.8398 0.0003 0.0622 0.1761 22 TYR B CG 3025 C CD1 . TYR B 27 ? 0.7767 1.0375 0.8827 0.0065 0.0716 0.1761 22 TYR B CD1 3026 C CD2 . TYR B 27 ? 0.6172 0.8823 0.7618 -0.0015 0.0628 0.1814 22 TYR B CD2 3027 C CE1 . TYR B 27 ? 0.8053 1.0785 0.9145 0.0115 0.0824 0.1814 22 TYR B CE1 3028 C CE2 . TYR B 27 ? 0.7532 1.0319 0.9029 0.0031 0.0730 0.1871 22 TYR B CE2 3029 C CZ . TYR B 27 ? 0.8049 1.0877 0.9369 0.0099 0.0832 0.1871 22 TYR B CZ 3030 O OH . TYR B 27 ? 0.7815 1.0783 0.9186 0.0155 0.0941 0.1925 22 TYR B OH 3031 N N . ASN B 28 ? 0.7081 0.9278 0.7963 -0.0035 0.0397 0.1478 23 ASN B N 3032 C CA . ASN B 28 ? 0.6619 0.8743 0.7459 -0.0061 0.0315 0.1444 23 ASN B CA 3033 C C . ASN B 28 ? 0.8029 1.0179 0.8978 -0.0098 0.0275 0.1561 23 ASN B C 3034 O O . ASN B 28 ? 0.8037 1.0216 0.8902 -0.0088 0.0288 0.1628 23 ASN B O 3035 C CB . ASN B 28 ? 0.7158 0.9261 0.7786 -0.0026 0.0331 0.1387 23 ASN B CB 3036 C CG . ASN B 28 ? 0.6078 0.8111 0.6672 -0.0047 0.0241 0.1326 23 ASN B CG 3037 O OD1 . ASN B 28 ? 0.7649 0.9667 0.8351 -0.0078 0.0175 0.1372 23 ASN B OD1 3038 N ND2 . ASN B 28 ? 0.5611 0.7601 0.6063 -0.0029 0.0236 0.1222 23 ASN B ND2 3039 N N . ASP B 29 ? 1.2927 1.5057 1.4056 -0.0140 0.0223 0.1586 24 ASP B N 3040 C CA . ASP B 29 ? 1.3421 1.5551 1.4671 -0.0183 0.0176 0.1693 24 ASP B CA 3041 C C . ASP B 29 ? 1.4660 1.6692 1.5901 -0.0198 0.0081 0.1651 24 ASP B C 3042 O O . ASP B 29 ? 1.5262 1.7251 1.6630 -0.0236 0.0018 0.1703 24 ASP B O 3043 C CB . ASP B 29 ? 1.2246 1.4397 1.3701 -0.0225 0.0159 0.1739 24 ASP B CB 3044 C CG . ASP B 29 ? 1.4134 1.6412 1.5657 -0.0224 0.0245 0.1845 24 ASP B CG 3045 O OD1 . ASP B 29 ? 1.5691 1.8021 1.7237 -0.0241 0.0268 0.1964 24 ASP B OD1 3046 O OD2 . ASP B 29 ? 1.4975 1.7306 1.6535 -0.0204 0.0290 0.1814 24 ASP B OD2 3047 N N . VAL B 30 ? 1.2090 1.4086 1.3188 -0.0167 0.0069 0.1555 25 VAL B N 3048 C CA . VAL B 30 ? 1.3330 1.5248 1.4428 -0.0173 -0.0018 0.1502 25 VAL B CA 3049 C C . VAL B 30 ? 1.5072 1.6980 1.6208 -0.0186 -0.0062 0.1611 25 VAL B C 3050 O O . VAL B 30 ? 1.5339 1.7304 1.6427 -0.0181 -0.0017 0.1715 25 VAL B O 3051 C CB . VAL B 30 ? 1.1655 1.3564 1.2594 -0.0140 -0.0018 0.1397 25 VAL B CB 3052 C CG1 . VAL B 30 ? 1.1222 1.3143 1.2064 -0.0122 -0.0049 0.1442 25 VAL B CG1 3053 C CG2 . VAL B 30 ? 0.9300 1.1142 1.0284 -0.0149 -0.0071 0.1281 25 VAL B CG2 3054 N N . TYR B 39 ? 1.6972 1.8141 2.0137 -0.0973 -0.0709 0.2619 34 TYR B N 3055 C CA . TYR B 39 ? 1.6192 1.7282 1.9372 -0.0962 -0.0787 0.2459 34 TYR B CA 3056 C C . TYR B 39 ? 1.6920 1.7881 2.0286 -0.1053 -0.0897 0.2473 34 TYR B C 3057 O O . TYR B 39 ? 1.7398 1.8220 2.0832 -0.1101 -0.0954 0.2558 34 TYR B O 3058 C CB . TYR B 39 ? 1.4866 1.5824 1.7877 -0.0872 -0.0828 0.2325 34 TYR B CB 3059 C CG . TYR B 39 ? 1.4613 1.5684 1.7443 -0.0787 -0.0735 0.2304 34 TYR B CG 3060 C CD1 . TYR B 39 ? 1.4259 1.5449 1.7003 -0.0739 -0.0676 0.2202 34 TYR B CD1 3061 C CD2 . TYR B 39 ? 1.4868 1.5917 1.7609 -0.0757 -0.0713 0.2387 34 TYR B CD2 3062 C CE1 . TYR B 39 ? 1.3833 1.5112 1.6412 -0.0668 -0.0599 0.2178 34 TYR B CE1 3063 C CE2 . TYR B 39 ? 1.5016 1.6164 1.7586 -0.0683 -0.0640 0.2363 34 TYR B CE2 3064 C CZ . TYR B 39 ? 1.4309 1.5570 1.6802 -0.0641 -0.0584 0.2255 34 TYR B CZ 3065 O OH . TYR B 39 ? 1.4353 1.5701 1.6678 -0.0574 -0.0517 0.2225 34 TYR B OH 3066 N N . HIS B 40 ? 2.0216 2.1215 2.3657 -0.1077 -0.0932 0.2389 35 HIS B N 3067 C CA . HIS B 40 ? 2.0113 2.0999 2.3725 -0.1165 -0.1045 0.2384 35 HIS B CA 3068 C C . HIS B 40 ? 1.8664 1.9411 2.2200 -0.1124 -0.1136 0.2199 35 HIS B C 3069 O O . HIS B 40 ? 1.8326 1.9142 2.1904 -0.1137 -0.1155 0.2131 35 HIS B O 3070 C CB . HIS B 40 ? 2.0349 2.1423 2.4155 -0.1247 -0.1016 0.2472 35 HIS B CB 3071 C CG . HIS B 40 ? 2.0690 2.1932 2.4563 -0.1279 -0.0905 0.2650 35 HIS B CG 3072 N ND1 . HIS B 40 ? 2.1408 2.2596 2.5415 -0.1366 -0.0923 0.2802 35 HIS B ND1 3073 C CD2 . HIS B 40 ? 1.9861 2.1319 2.3677 -0.1233 -0.0771 0.2700 35 HIS B CD2 3074 C CE1 . HIS B 40 ? 2.0982 2.2356 2.5010 -0.1373 -0.0800 0.2942 35 HIS B CE1 3075 N NE2 . HIS B 40 ? 2.0255 2.1793 2.4164 -0.1290 -0.0707 0.2880 35 HIS B NE2 3076 N N . PRO B 41 ? 1.2785 1.3338 1.6203 -0.1069 -0.1189 0.2120 36 PRO B N 3077 C CA . PRO B 41 ? 1.2528 1.2938 1.5865 -0.1026 -0.1270 0.1947 36 PRO B CA 3078 C C . PRO B 41 ? 1.2750 1.3008 1.6225 -0.1110 -0.1399 0.1928 36 PRO B C 3079 O O . PRO B 41 ? 1.2654 1.2702 1.6149 -0.1127 -0.1482 0.1928 36 PRO B O 3080 C CB . PRO B 41 ? 1.2419 1.2686 1.5615 -0.0943 -0.1278 0.1896 36 PRO B CB 3081 C CG . PRO B 41 ? 1.2730 1.2968 1.5994 -0.0982 -0.1267 0.2055 36 PRO B CG 3082 C CD . PRO B 41 ? 1.3126 1.3587 1.6481 -0.1039 -0.1177 0.2191 36 PRO B CD 3083 N N . ASP B 42 ? 1.5289 1.5650 1.8858 -0.1162 -0.1419 0.1912 37 ASP B N 3084 C CA . ASP B 42 ? 1.5368 1.5616 1.9087 -0.1255 -0.1545 0.1902 37 ASP B CA 3085 C C . ASP B 42 ? 1.6396 1.6598 2.0303 -0.1361 -0.1578 0.2060 37 ASP B C 3086 O O . ASP B 42 ? 1.6297 1.6581 2.0220 -0.1362 -0.1492 0.2190 37 ASP B O 3087 C CB . ASP B 42 ? 1.5336 1.5332 1.8942 -0.1215 -0.1656 0.1740 37 ASP B CB 3088 C CG . ASP B 42 ? 1.4342 1.4374 1.7836 -0.1162 -0.1668 0.1592 37 ASP B CG 3089 O OD1 . ASP B 42 ? 1.5553 1.5601 1.9142 -0.1225 -0.1744 0.1568 37 ASP B OD1 3090 O OD2 . ASP B 42 ? 1.3570 1.3613 1.6882 -0.1060 -0.1604 0.1500 37 ASP B OD2 3091 N N . SER B 43 ? 1.8549 1.8615 2.2592 -0.1452 -0.1706 0.2050 38 SER B N 3092 C CA . SER B 43 ? 1.8788 1.8739 2.2994 -0.1553 -0.1760 0.2179 38 SER B CA 3093 C C . SER B 43 ? 1.8926 1.8619 2.2999 -0.1492 -0.1799 0.2136 38 SER B C 3094 O O . SER B 43 ? 1.8182 1.7730 2.2097 -0.1409 -0.1846 0.1975 38 SER B O 3095 C CB . SER B 43 ? 1.8751 1.8624 2.3146 -0.1673 -0.1896 0.2170 38 SER B CB 3096 O OG . SER B 43 ? 1.9593 1.9223 2.3878 -0.1640 -0.2020 0.1999 38 SER B OG 3097 N N . PRO B 44 ? 2.0290 1.9931 2.4423 -0.1528 -0.1774 0.2283 39 PRO B N 3098 C CA . PRO B 44 ? 1.9985 1.9389 2.4011 -0.1470 -0.1808 0.2271 39 PRO B CA 3099 C C . PRO B 44 ? 1.9790 1.8903 2.3776 -0.1458 -0.1951 0.2121 39 PRO B C 3100 O O . PRO B 44 ? 1.9426 1.8395 2.3247 -0.1349 -0.1964 0.2010 39 PRO B O 3101 C CB . PRO B 44 ? 2.0516 1.9898 2.4691 -0.1566 -0.1797 0.2476 39 PRO B CB 3102 C CG . PRO B 44 ? 2.1174 2.0865 2.5451 -0.1617 -0.1683 0.2598 39 PRO B CG 3103 C CD . PRO B 44 ? 2.0714 2.0533 2.5027 -0.1626 -0.1706 0.2482 39 PRO B CD 3104 N N . ARG B 45 ? 1.9098 1.8134 2.3238 -0.1569 -0.2058 0.2115 40 ARG B N 3105 C CA . ARG B 45 ? 1.9421 1.8170 2.3528 -0.1571 -0.2204 0.1974 40 ARG B CA 3106 C C . ARG B 45 ? 1.9253 1.8001 2.3173 -0.1463 -0.2211 0.1770 40 ARG B C 3107 O O . ARG B 45 ? 1.9166 1.7687 2.2950 -0.1385 -0.2272 0.1637 40 ARG B O 3108 C CB . ARG B 45 ? 1.9924 1.8621 2.4245 -0.1725 -0.2318 0.2016 40 ARG B CB 3109 C CG . ARG B 45 ? 2.0574 1.9364 2.5113 -0.1850 -0.2284 0.2237 40 ARG B CG 3110 C CD . ARG B 45 ? 2.1360 1.9924 2.6080 -0.1988 -0.2432 0.2272 40 ARG B CD 3111 N NE . ARG B 45 ? 2.1169 1.9767 2.5987 -0.2064 -0.2534 0.2181 40 ARG B NE 3112 C CZ . ARG B 45 ? 2.1130 1.9929 2.6183 -0.2193 -0.2538 0.2289 40 ARG B CZ 3113 N NH1 . ARG B 45 ? 2.1014 1.9997 2.6223 -0.2261 -0.2436 0.2493 40 ARG B NH1 3114 N NH2 . ARG B 45 ? 2.0704 1.9525 2.5836 -0.2252 -0.2645 0.2195 40 ARG B NH2 3115 N N . ARG B 46 ? 1.8385 1.7385 2.2296 -0.1456 -0.2144 0.1750 41 ARG B N 3116 C CA . ARG B 46 ? 1.8383 1.7400 2.2120 -0.1362 -0.2142 0.1572 41 ARG B CA 3117 C C . ARG B 46 ? 1.8021 1.7020 2.1555 -0.1220 -0.2057 0.1503 41 ARG B C 3118 O O . ARG B 46 ? 1.7208 1.6064 2.0587 -0.1135 -0.2094 0.1345 41 ARG B O 3119 C CB . ARG B 46 ? 1.8027 1.7325 2.1810 -0.1386 -0.2082 0.1587 41 ARG B CB 3120 C CG . ARG B 46 ? 1.8271 1.7538 2.1948 -0.1353 -0.2146 0.1419 41 ARG B CG 3121 C CD . ARG B 46 ? 1.8550 1.8091 2.2283 -0.1373 -0.2090 0.1448 41 ARG B CD 3122 N NE . ARG B 46 ? 1.9582 1.9215 2.3561 -0.1507 -0.2149 0.1561 41 ARG B NE 3123 C CZ . ARG B 46 ? 2.0354 2.0238 2.4439 -0.1540 -0.2108 0.1614 41 ARG B CZ 3124 N NH1 . ARG B 46 ? 1.9767 1.9813 2.3719 -0.1449 -0.2010 0.1565 41 ARG B NH1 3125 N NH2 . ARG B 46 ? 2.0383 2.0355 2.4714 -0.1664 -0.2165 0.1719 41 ARG B NH2 3126 N N . LEU B 47 ? 1.4496 1.3645 1.8032 -0.1194 -0.1943 0.1622 42 LEU B N 3127 C CA . LEU B 47 ? 1.3815 1.2966 1.7183 -0.1068 -0.1866 0.1574 42 LEU B CA 3128 C C . LEU B 47 ? 1.4602 1.3473 1.7922 -0.1022 -0.1944 0.1525 42 LEU B C 3129 O O . LEU B 47 ? 1.4005 1.2793 1.7176 -0.0913 -0.1940 0.1392 42 LEU B O 3130 C CB . LEU B 47 ? 1.3764 1.3119 1.7150 -0.1062 -0.1744 0.1722 42 LEU B CB 3131 C CG . LEU B 47 ? 1.3046 1.2437 1.6268 -0.0938 -0.1664 0.1681 42 LEU B CG 3132 C CD1 . LEU B 47 ? 1.1955 1.1439 1.5035 -0.0857 -0.1619 0.1528 42 LEU B CD1 3133 C CD2 . LEU B 47 ? 1.3139 1.2711 1.6378 -0.0943 -0.1559 0.1835 42 LEU B CD2 3134 N N . ALA B 48 ? 1.6246 1.4972 1.9699 -0.1104 -0.2011 0.1636 43 ALA B N 3135 C CA . ALA B 48 ? 1.5900 1.4335 1.9324 -0.1066 -0.2096 0.1602 43 ALA B CA 3136 C C . ALA B 48 ? 1.5941 1.4174 1.9273 -0.1021 -0.2192 0.1406 43 ALA B C 3137 O O . ALA B 48 ? 1.5822 1.3907 1.9030 -0.0910 -0.2205 0.1301 43 ALA B O 3138 C CB . ALA B 48 ? 1.6925 1.5227 2.0523 -0.1184 -0.2164 0.1755 43 ALA B CB 3139 N N . ALA B 49 ? 1.8453 1.6688 2.1844 -0.1104 -0.2260 0.1358 44 ALA B N 3140 C CA . ALA B 49 ? 1.8915 1.6969 2.2202 -0.1068 -0.2353 0.1171 44 ALA B CA 3141 C C . ALA B 49 ? 1.8721 1.6870 2.1809 -0.0933 -0.2271 0.1031 44 ALA B C 3142 O O . ALA B 49 ? 1.8123 1.6090 2.1077 -0.0843 -0.2311 0.0883 44 ALA B O 3143 C CB . ALA B 49 ? 1.9212 1.7300 2.2600 -0.1184 -0.2434 0.1159 44 ALA B CB 3144 N N . ALA B 50 ? 1.8647 1.7079 2.1718 -0.0918 -0.2153 0.1079 45 ALA B N 3145 C CA . ALA B 50 ? 1.7849 1.6394 2.0746 -0.0801 -0.2064 0.0965 45 ALA B CA 3146 C C . ALA B 50 ? 1.7052 1.5511 1.9857 -0.0685 -0.2025 0.0930 45 ALA B C 3147 O O . ALA B 50 ? 1.6904 1.5323 1.9564 -0.0582 -0.2004 0.0789 45 ALA B O 3148 C CB . ALA B 50 ? 1.6990 1.5841 1.9902 -0.0815 -0.1947 0.1043 45 ALA B CB 3149 N N . VAL B 51 ? 1.2363 1.0798 1.5255 -0.0699 -0.2015 0.1062 46 VAL B N 3150 C CA . VAL B 51 ? 1.2534 1.0896 1.5358 -0.0589 -0.1987 0.1045 46 VAL B CA 3151 C C . VAL B 51 ? 1.3725 1.1778 1.6512 -0.0539 -0.2092 0.0938 46 VAL B C 3152 O O . VAL B 51 ? 1.3597 1.1589 1.6275 -0.0417 -0.2072 0.0825 46 VAL B O 3153 C CB . VAL B 51 ? 1.2079 1.0501 1.4995 -0.0617 -0.1951 0.1228 46 VAL B CB 3154 C CG1 . VAL B 51 ? 1.1960 1.0298 1.4812 -0.0499 -0.1938 0.1210 46 VAL B CG1 3155 C CG2 . VAL B 51 ? 1.1874 1.0598 1.4805 -0.0651 -0.1839 0.1323 46 VAL B CG2 3156 N N . LYS B 52 ? 1.5293 1.3151 1.8177 -0.0634 -0.2204 0.0970 47 LYS B N 3157 C CA . LYS B 52 ? 1.5488 1.3028 1.8334 -0.0596 -0.2315 0.0860 47 LYS B CA 3158 C C . LYS B 52 ? 1.5939 1.3443 1.8624 -0.0513 -0.2317 0.0658 47 LYS B C 3159 O O . LYS B 52 ? 1.6695 1.4058 1.9274 -0.0394 -0.2322 0.0542 47 LYS B O 3160 C CB . LYS B 52 ? 1.7102 1.4453 2.0081 -0.0731 -0.2440 0.0918 47 LYS B CB 3161 C CG . LYS B 52 ? 1.7663 1.4657 2.0591 -0.0694 -0.2563 0.0796 47 LYS B CG 3162 C CD . LYS B 52 ? 1.7394 1.4228 2.0402 -0.0825 -0.2695 0.0775 47 LYS B CD 3163 C CE . LYS B 52 ? 1.8407 1.5120 2.1604 -0.0949 -0.2763 0.0944 47 LYS B CE 3164 N NZ . LYS B 52 ? 1.9303 1.5815 2.2580 -0.1072 -0.2910 0.0905 47 LYS B NZ 3165 N N . GLN B 53 ? 1.5179 1.2817 1.7843 -0.0573 -0.2310 0.0620 48 GLN B N 3166 C CA . GLN B 53 ? 1.5427 1.3056 1.7924 -0.0501 -0.2303 0.0442 48 GLN B CA 3167 C C . GLN B 53 ? 1.5315 1.3096 1.7694 -0.0369 -0.2177 0.0386 48 GLN B C 3168 O O . GLN B 53 ? 1.4866 1.2566 1.7101 -0.0269 -0.2168 0.0234 48 GLN B O 3169 C CB . GLN B 53 ? 1.5189 1.2969 1.7694 -0.0589 -0.2310 0.0439 48 GLN B CB 3170 C CG . GLN B 53 ? 1.6062 1.3632 1.8547 -0.0648 -0.2449 0.0342 48 GLN B CG 3171 C CD . GLN B 53 ? 1.6047 1.3744 1.8434 -0.0659 -0.2441 0.0258 48 GLN B CD 3172 O OE1 . GLN B 53 ? 1.5118 1.2937 1.7359 -0.0567 -0.2345 0.0183 48 GLN B OE1 3173 N NE2 . GLN B 53 ? 1.7055 1.4725 1.9525 -0.0773 -0.2545 0.0276 48 GLN B NE2 3174 N N . ALA B 54 ? 1.5698 1.3704 1.8139 -0.0372 -0.2079 0.0509 49 ALA B N 3175 C CA . ALA B 54 ? 1.4435 1.2604 1.6786 -0.0262 -0.1963 0.0470 49 ALA B CA 3176 C C . ALA B 54 ? 1.4973 1.2973 1.7278 -0.0143 -0.1979 0.0395 49 ALA B C 3177 O O . ALA B 54 ? 1.5114 1.3130 1.7300 -0.0039 -0.1930 0.0266 49 ALA B O 3178 C CB . ALA B 54 ? 1.4491 1.2900 1.6920 -0.0293 -0.1874 0.0622 49 ALA B CB 3179 N N . TRP B 55 ? 1.6260 1.4095 1.8660 -0.0155 -0.2046 0.0477 50 TRP B N 3180 C CA . TRP B 55 ? 1.6878 1.4531 1.9241 -0.0035 -0.2071 0.0405 50 TRP B CA 3181 C C . TRP B 55 ? 1.7164 1.4586 1.9422 0.0010 -0.2142 0.0230 50 TRP B C 3182 O O . TRP B 55 ? 1.7578 1.4977 1.9731 0.0135 -0.2102 0.0100 50 TRP B O 3183 C CB . TRP B 55 ? 1.6914 1.4410 1.9396 -0.0060 -0.2138 0.0535 50 TRP B CB 3184 C CG . TRP B 55 ? 1.8336 1.5843 2.0817 0.0066 -0.2098 0.0550 50 TRP B CG 3185 C CD1 . TRP B 55 ? 1.8562 1.6204 2.1112 0.0067 -0.2055 0.0697 50 TRP B CD1 3186 C CD2 . TRP B 55 ? 1.8856 1.6246 2.1262 0.0214 -0.2100 0.0411 50 TRP B CD2 3187 N NE1 . TRP B 55 ? 1.9278 1.6895 2.1809 0.0203 -0.2039 0.0660 50 TRP B NE1 3188 C CE2 . TRP B 55 ? 1.9308 1.6776 2.1760 0.0296 -0.2062 0.0487 50 TRP B CE2 3189 C CE3 . TRP B 55 ? 1.9109 1.6336 2.1410 0.0289 -0.2128 0.0230 50 TRP B CE3 3190 C CZ2 . TRP B 55 ? 1.9568 1.6972 2.1987 0.0450 -0.2052 0.0390 50 TRP B CZ2 3191 C CZ3 . TRP B 55 ? 1.9463 1.6623 2.1722 0.0444 -0.2108 0.0133 50 TRP B CZ3 3192 C CH2 . TRP B 55 ? 1.9941 1.7195 2.2269 0.0523 -0.2071 0.0214 50 TRP B CH2 3193 N N . GLU B 56 ? 1.6070 1.3333 1.8355 -0.0093 -0.2244 0.0226 51 GLU B N 3194 C CA . GLU B 56 ? 1.6813 1.3820 1.8990 -0.0060 -0.2332 0.0063 51 GLU B CA 3195 C C . GLU B 56 ? 1.6688 1.3794 1.8695 0.0007 -0.2269 -0.0092 51 GLU B C 3196 O O . GLU B 56 ? 1.7152 1.4059 1.9033 0.0062 -0.2323 -0.0244 51 GLU B O 3197 C CB . GLU B 56 ? 1.7788 1.4636 2.0042 -0.0204 -0.2460 0.0100 51 GLU B CB 3198 C CG . GLU B 56 ? 1.8333 1.5001 2.0740 -0.0268 -0.2542 0.0229 51 GLU B CG 3199 C CD . GLU B 56 ? 1.8743 1.5274 2.1246 -0.0423 -0.2667 0.0271 51 GLU B CD 3200 O OE1 . GLU B 56 ? 1.9865 1.6251 2.2506 -0.0497 -0.2736 0.0388 51 GLU B OE1 3201 O OE2 . GLU B 56 ? 1.7643 1.4213 2.0089 -0.0473 -0.2698 0.0190 51 GLU B OE2 3202 N N . ASP B 57 ? 1.8837 1.6238 2.0828 0.0004 -0.2156 -0.0053 52 ASP B N 3203 C CA . ASP B 57 ? 1.8889 1.6394 2.0718 0.0062 -0.2086 -0.0182 52 ASP B CA 3204 C C . ASP B 57 ? 1.8184 1.5872 1.9969 0.0179 -0.1954 -0.0208 52 ASP B C 3205 O O . ASP B 57 ? 1.8937 1.6763 2.0606 0.0220 -0.1871 -0.0286 52 ASP B O 3206 C CB . ASP B 57 ? 1.9015 1.6699 2.0847 -0.0046 -0.2072 -0.0134 52 ASP B CB 3207 C CG . ASP B 57 ? 1.9014 1.6519 2.0838 -0.0138 -0.2204 -0.0171 52 ASP B CG 3208 O OD1 . ASP B 57 ? 1.9390 1.6801 2.1361 -0.0235 -0.2293 -0.0072 52 ASP B OD1 3209 O OD2 . ASP B 57 ? 1.9070 1.6532 2.0743 -0.0117 -0.2220 -0.0296 52 ASP B OD2 3210 N N . GLY B 58 ? 1.4602 1.2291 1.6482 0.0231 -0.1937 -0.0138 53 GLY B N 3211 C CA . GLY B 58 ? 1.4026 1.1870 1.5883 0.0348 -0.1829 -0.0169 53 GLY B CA 3212 C C . GLY B 58 ? 1.3286 1.1397 1.5238 0.0316 -0.1748 -0.0032 53 GLY B C 3213 O O . GLY B 58 ? 1.3640 1.1853 1.5622 0.0402 -0.1688 -0.0022 53 GLY B O 3214 N N . ILE B 59 ? 1.2105 1.0333 1.4104 0.0196 -0.1747 0.0071 54 ILE B N 3215 C CA . ILE B 59 ? 1.1993 1.0470 1.4062 0.0161 -0.1669 0.0198 54 ILE B CA 3216 C C . ILE B 59 ? 1.1957 1.0390 1.4146 0.0164 -0.1704 0.0324 54 ILE B C 3217 O O . ILE B 59 ? 1.2379 1.0692 1.4649 0.0082 -0.1781 0.0419 54 ILE B O 3218 C CB . ILE B 59 ? 1.1142 0.9746 1.3233 0.0038 -0.1660 0.0276 54 ILE B CB 3219 C CG1 . ILE B 59 ? 1.1059 0.9695 1.3024 0.0037 -0.1635 0.0159 54 ILE B CG1 3220 C CG2 . ILE B 59 ? 1.0213 0.9066 1.2357 0.0014 -0.1573 0.0395 54 ILE B CG2 3221 C CD1 . ILE B 59 ? 1.1295 1.0031 1.3285 -0.0077 -0.1642 0.0225 54 ILE B CD1 3222 N N . CYS B 60 ? 1.3881 1.2416 1.6080 0.0256 -0.1648 0.0328 55 CYS B N 3223 C CA . CYS B 60 ? 1.4164 1.2656 1.6458 0.0278 -0.1682 0.0440 55 CYS B CA 3224 C C . CYS B 60 ? 1.3429 1.2092 1.5788 0.0189 -0.1651 0.0607 55 CYS B C 3225 O O . CYS B 60 ? 1.4113 1.2692 1.6549 0.0156 -0.1702 0.0731 55 CYS B O 3226 C CB . CYS B 60 ? 1.4357 1.2910 1.6645 0.0416 -0.1639 0.0381 55 CYS B CB 3227 S SG . CYS B 60 ? 1.7153 1.5933 1.9510 0.0429 -0.1589 0.0523 55 CYS B SG 3228 N N . GLY B 61 ? 1.2377 1.1271 1.4696 0.0154 -0.1565 0.0611 56 GLY B N 3229 C CA . GLY B 61 ? 1.2178 1.1245 1.4540 0.0083 -0.1524 0.0756 56 GLY B CA 3230 C C . GLY B 61 ? 1.2061 1.1343 1.4373 0.0031 -0.1440 0.0749 56 GLY B C 3231 O O . GLY B 61 ? 1.1658 1.0935 1.3912 0.0016 -0.1428 0.0653 56 GLY B O 3232 N N . ILE B 62 ? 1.2539 1.2005 1.4864 0.0008 -0.1382 0.0852 57 ILE B N 3233 C CA . ILE B 62 ? 1.1756 1.1418 1.4040 -0.0046 -0.1303 0.0865 57 ILE B CA 3234 C C . ILE B 62 ? 1.1598 1.1459 1.3833 0.0006 -0.1221 0.0856 57 ILE B C 3235 O O . ILE B 62 ? 1.1973 1.1864 1.4230 0.0049 -0.1226 0.0912 57 ILE B O 3236 C CB . ILE B 62 ? 1.0902 1.0605 1.3248 -0.0149 -0.1308 0.1013 57 ILE B CB 3237 C CG1 . ILE B 62 ? 1.2004 1.1515 1.4425 -0.0213 -0.1399 0.1038 57 ILE B CG1 3238 C CG2 . ILE B 62 ? 1.0596 1.0487 1.2902 -0.0196 -0.1229 0.1017 57 ILE B CG2 3239 C CD1 . ILE B 62 ? 1.1762 1.1242 1.4156 -0.0252 -0.1414 0.0944 57 ILE B CD1 3240 N N . SER B 63 ? 1.0531 1.0520 1.2698 0.0000 -0.1151 0.0784 58 SER B N 3241 C CA . SER B 63 ? 0.9840 1.0028 1.1963 0.0016 -0.1070 0.0792 58 SER B CA 3242 C C . SER B 63 ? 0.9214 0.9514 1.1316 -0.0063 -0.1022 0.0857 58 SER B C 3243 O O . SER B 63 ? 0.9266 0.9574 1.1331 -0.0093 -0.1001 0.0802 58 SER B O 3244 C CB . SER B 63 ? 0.9978 1.0227 1.2041 0.0079 -0.1020 0.0657 58 SER B CB 3245 O OG . SER B 63 ? 0.9106 0.9539 1.1137 0.0089 -0.0951 0.0665 58 SER B OG 3246 N N . SER B 64 ? 0.8354 0.8737 1.0475 -0.0092 -0.1006 0.0977 59 SER B N 3247 C CA . SER B 64 ? 0.9355 0.9842 1.1468 -0.0162 -0.0959 0.1051 59 SER B CA 3248 C C . SER B 64 ? 0.8808 0.9435 1.0836 -0.0156 -0.0878 0.0982 59 SER B C 3249 O O . SER B 64 ? 0.8629 0.9328 1.0607 -0.0106 -0.0843 0.0922 59 SER B O 3250 C CB . SER B 64 ? 0.9169 0.9717 1.1300 -0.0181 -0.0951 0.1192 59 SER B CB 3251 O OG . SER B 64 ? 1.0689 1.1099 1.2898 -0.0191 -0.1025 0.1269 59 SER B OG 3252 N N . VAL B 65 ? 0.8689 0.9355 1.0711 -0.0208 -0.0849 0.0992 60 VAL B N 3253 C CA . VAL B 65 ? 0.8132 0.8920 1.0073 -0.0207 -0.0771 0.0942 60 VAL B CA 3254 C C . VAL B 65 ? 0.8206 0.9129 1.0108 -0.0207 -0.0713 0.1012 60 VAL B C 3255 O O . VAL B 65 ? 0.8758 0.9764 1.0587 -0.0177 -0.0664 0.0956 60 VAL B O 3256 C CB . VAL B 65 ? 0.7243 0.8037 0.9189 -0.0256 -0.0761 0.0942 60 VAL B CB 3257 C CG1 . VAL B 65 ? 0.6870 0.7604 0.8759 -0.0235 -0.0765 0.0818 60 VAL B CG1 3258 C CG2 . VAL B 65 ? 0.9439 1.0164 1.1492 -0.0311 -0.0822 0.1031 60 VAL B CG2 3259 N N . SER B 66 ? 0.8658 0.9602 1.0606 -0.0243 -0.0719 0.1134 61 SER B N 3260 C CA . SER B 66 ? 0.8588 0.9654 1.0483 -0.0242 -0.0662 0.1206 61 SER B CA 3261 C C . SER B 66 ? 0.8640 0.9682 1.0567 -0.0240 -0.0698 0.1316 61 SER B C 3262 O O . SER B 66 ? 0.9505 1.0428 1.1507 -0.0243 -0.0767 0.1341 61 SER B O 3263 C CB . SER B 66 ? 0.8818 0.9968 1.0712 -0.0286 -0.0606 0.1259 61 SER B CB 3264 O OG . SER B 66 ? 1.0627 1.1731 1.2629 -0.0337 -0.0642 0.1348 61 SER B OG 3265 N N . ARG B 67 ? 1.0778 1.1925 1.2638 -0.0234 -0.0651 0.1381 62 ARG B N 3266 C CA . ARG B 67 ? 1.1951 1.3090 1.3814 -0.0232 -0.0672 0.1500 62 ARG B CA 3267 C C . ARG B 67 ? 1.3155 1.4287 1.5091 -0.0291 -0.0664 0.1628 62 ARG B C 3268 O O . ARG B 67 ? 1.4298 1.5398 1.6254 -0.0301 -0.0687 0.1742 62 ARG B O 3269 C CB . ARG B 67 ? 1.0879 1.2145 1.2626 -0.0214 -0.0612 0.1537 62 ARG B CB 3270 C CG . ARG B 67 ? 1.1693 1.3008 1.3356 -0.0162 -0.0610 0.1432 62 ARG B CG 3271 C CD . ARG B 67 ? 1.2926 1.4264 1.4529 -0.0124 -0.0640 0.1488 62 ARG B CD 3272 N NE . ARG B 67 ? 1.3798 1.5197 1.5339 -0.0081 -0.0644 0.1384 62 ARG B NE 3273 C CZ . ARG B 67 ? 1.3116 1.4514 1.4653 -0.0034 -0.0701 0.1379 62 ARG B CZ 3274 N NH1 . ARG B 67 ? 1.2935 1.4261 1.4513 -0.0019 -0.0760 0.1473 62 ARG B NH1 3275 N NH2 . ARG B 67 ? 1.1864 1.3336 1.3364 -0.0004 -0.0702 0.1282 62 ARG B NH2 3276 N N . MET B 68 ? 1.0733 1.1893 1.2715 -0.0333 -0.0634 0.1613 63 MET B N 3277 C CA . MET B 68 ? 1.0831 1.1966 1.2933 -0.0398 -0.0647 0.1707 63 MET B CA 3278 C C . MET B 68 ? 1.1323 1.2297 1.3537 -0.0425 -0.0741 0.1710 63 MET B C 3279 O O . MET B 68 ? 1.1858 1.2767 1.4139 -0.0454 -0.0778 0.1818 63 MET B O 3280 C CB . MET B 68 ? 1.0638 1.1829 1.2769 -0.0424 -0.0613 0.1651 63 MET B CB 3281 C CG . MET B 68 ? 1.2193 1.3497 1.4382 -0.0471 -0.0553 0.1758 63 MET B CG 3282 S SD . MET B 68 ? 1.1167 1.2481 1.3466 -0.0516 -0.0569 0.1714 63 MET B SD 3283 C CE . MET B 68 ? 1.3059 1.4505 1.5474 -0.0575 -0.0512 0.1878 63 MET B CE 3284 N N . GLU B 69 ? 1.0026 1.0926 1.2246 -0.0408 -0.0780 0.1585 64 GLU B N 3285 C CA . GLU B 69 ? 1.0766 1.1497 1.3078 -0.0429 -0.0873 0.1566 64 GLU B CA 3286 C C . GLU B 69 ? 1.1718 1.2344 1.4045 -0.0406 -0.0926 0.1627 64 GLU B C 3287 O O . GLU B 69 ? 1.2705 1.3218 1.5129 -0.0451 -0.0985 0.1705 64 GLU B O 3288 C CB . GLU B 69 ? 0.9961 1.0620 1.2237 -0.0393 -0.0903 0.1408 64 GLU B CB 3289 C CG . GLU B 69 ? 1.0343 1.0809 1.2689 -0.0399 -0.1003 0.1374 64 GLU B CG 3290 C CD . GLU B 69 ? 1.0433 1.0824 1.2742 -0.0375 -0.1031 0.1227 64 GLU B CD 3291 O OE1 . GLU B 69 ? 0.9868 1.0323 1.2082 -0.0321 -0.0982 0.1131 64 GLU B OE1 3292 O OE2 . GLU B 69 ? 1.1439 1.1703 1.3810 -0.0412 -0.1103 0.1207 64 GLU B OE2 3293 N N . ASN B 70 ? 1.1570 1.2232 1.3805 -0.0337 -0.0909 0.1594 65 ASN B N 3294 C CA . ASN B 70 ? 1.2041 1.2616 1.4279 -0.0301 -0.0960 0.1650 65 ASN B CA 3295 C C . ASN B 70 ? 1.2866 1.3446 1.5141 -0.0351 -0.0954 0.1824 65 ASN B C 3296 O O . ASN B 70 ? 1.3489 1.3927 1.5838 -0.0370 -0.1020 0.1897 65 ASN B O 3297 C CB . ASN B 70 ? 1.1667 1.2327 1.3803 -0.0223 -0.0936 0.1595 65 ASN B CB 3298 C CG . ASN B 70 ? 1.2210 1.2794 1.4346 -0.0177 -0.0992 0.1659 65 ASN B CG 3299 O OD1 . ASN B 70 ? 1.2508 1.3144 1.4603 -0.0183 -0.0975 0.1777 65 ASN B OD1 3300 N ND2 . ASN B 70 ? 1.1997 1.2456 1.4173 -0.0126 -0.1059 0.1584 65 ASN B ND2 3301 N N . ILE B 71 ? 1.1556 1.2295 1.3775 -0.0370 -0.0872 0.1890 66 ILE B N 3302 C CA . ILE B 71 ? 1.2148 1.2921 1.4389 -0.0417 -0.0844 0.2059 66 ILE B CA 3303 C C . ILE B 71 ? 1.2589 1.3275 1.4983 -0.0503 -0.0881 0.2134 66 ILE B C 3304 O O . ILE B 71 ? 1.3685 1.4288 1.6135 -0.0538 -0.0912 0.2262 66 ILE B O 3305 C CB . ILE B 71 ? 1.2235 1.3200 1.4391 -0.0422 -0.0739 0.2095 66 ILE B CB 3306 C CG1 . ILE B 71 ? 1.2308 1.3341 1.4309 -0.0348 -0.0716 0.2068 66 ILE B CG1 3307 C CG2 . ILE B 71 ? 1.3407 1.4421 1.5616 -0.0486 -0.0695 0.2264 66 ILE B CG2 3308 C CD1 . ILE B 71 ? 1.3231 1.4433 1.5123 -0.0339 -0.0618 0.2061 66 ILE B CD1 3309 N N . MET B 72 ? 1.1723 1.2421 1.4183 -0.0538 -0.0883 0.2054 67 MET B N 3310 C CA . MET B 72 ? 1.1847 1.2463 1.4461 -0.0622 -0.0931 0.2104 67 MET B CA 3311 C C . MET B 72 ? 1.2397 1.2790 1.5074 -0.0626 -0.1039 0.2106 67 MET B C 3312 O O . MET B 72 ? 1.2994 1.3307 1.5771 -0.0691 -0.1073 0.2231 67 MET B O 3313 C CB . MET B 72 ? 1.1731 1.2385 1.4383 -0.0643 -0.0933 0.1992 67 MET B CB 3314 C CG . MET B 72 ? 1.1965 1.2512 1.4774 -0.0725 -0.1010 0.2014 67 MET B CG 3315 S SD . MET B 72 ? 1.2230 1.2800 1.5061 -0.0737 -0.1031 0.1871 67 MET B SD 3316 C CE . MET B 72 ? 1.2189 1.2622 1.4886 -0.0641 -0.1077 0.1693 67 MET B CE 3317 N N . TRP B 73 ? 1.3799 1.4091 1.6418 -0.0557 -0.1089 0.1968 68 TRP B N 3318 C CA . TRP B 73 ? 1.4198 1.4268 1.6859 -0.0539 -0.1189 0.1948 68 TRP B CA 3319 C C . TRP B 73 ? 1.4602 1.4611 1.7263 -0.0533 -0.1205 0.2091 68 TRP B C 3320 O O . TRP B 73 ? 1.5362 1.5193 1.8108 -0.0569 -0.1279 0.2156 68 TRP B O 3321 C CB . TRP B 73 ? 1.2750 1.2763 1.5328 -0.0443 -0.1215 0.1783 68 TRP B CB 3322 C CG . TRP B 73 ? 1.2479 1.2458 1.5065 -0.0450 -0.1236 0.1642 68 TRP B CG 3323 C CD1 . TRP B 73 ? 1.2347 1.2455 1.4859 -0.0423 -0.1177 0.1536 68 TRP B CD1 3324 C CD2 . TRP B 73 ? 1.2855 1.2649 1.5516 -0.0486 -0.1325 0.1592 68 TRP B CD2 3325 N NE1 . TRP B 73 ? 1.2659 1.2679 1.5188 -0.0437 -0.1222 0.1428 68 TRP B NE1 3326 C CE2 . TRP B 73 ? 1.3008 1.2836 1.5626 -0.0475 -0.1315 0.1455 68 TRP B CE2 3327 C CE3 . TRP B 73 ? 1.3229 1.2821 1.5984 -0.0528 -0.1416 0.1649 68 TRP B CE3 3328 C CZ2 . TRP B 73 ? 1.3142 1.2816 1.5796 -0.0501 -0.1394 0.1371 68 TRP B CZ2 3329 C CZ3 . TRP B 73 ? 1.3284 1.2717 1.6084 -0.0558 -0.1497 0.1560 68 TRP B CZ3 3330 C CH2 . TRP B 73 ? 1.3656 1.3134 1.6400 -0.0543 -0.1487 0.1420 68 TRP B CH2 3331 N N . ARG B 74 ? 1.4764 1.4914 1.7322 -0.0488 -0.1137 0.2140 69 ARG B N 3332 C CA . ARG B 74 ? 1.5695 1.5807 1.8226 -0.0476 -0.1145 0.2282 69 ARG B CA 3333 C C . ARG B 74 ? 1.6615 1.6722 1.9239 -0.0577 -0.1128 0.2457 69 ARG B C 3334 O O . ARG B 74 ? 1.6875 1.6837 1.9544 -0.0599 -0.1179 0.2570 69 ARG B O 3335 C CB . ARG B 74 ? 1.5036 1.5314 1.7421 -0.0409 -0.1077 0.2288 69 ARG B CB 3336 C CG . ARG B 74 ? 1.5853 1.6120 1.8184 -0.0398 -0.1075 0.2448 69 ARG B CG 3337 C CD . ARG B 74 ? 1.5797 1.6170 1.7979 -0.0307 -0.1053 0.2412 69 ARG B CD 3338 N NE . ARG B 74 ? 1.6490 1.6754 1.8669 -0.0222 -0.1134 0.2317 69 ARG B NE 3339 C CZ . ARG B 74 ? 1.5676 1.6018 1.7804 -0.0154 -0.1130 0.2169 69 ARG B CZ 3340 N NH1 . ARG B 74 ? 1.4970 1.5481 1.7035 -0.0163 -0.1052 0.2099 69 ARG B NH1 3341 N NH2 . ARG B 74 ? 1.4641 1.4891 1.6786 -0.0075 -0.1200 0.2093 69 ARG B NH2 3342 N N . SER B 75 ? 1.4289 1.4555 1.6948 -0.0639 -0.1053 0.2482 70 SER B N 3343 C CA . SER B 75 ? 1.3868 1.4172 1.6630 -0.0738 -0.1020 0.2650 70 SER B CA 3344 C C . SER B 75 ? 1.4159 1.4313 1.7100 -0.0828 -0.1101 0.2661 70 SER B C 3345 O O . SER B 75 ? 1.4703 1.4865 1.7761 -0.0921 -0.1088 0.2805 70 SER B O 3346 C CB . SER B 75 ? 1.3176 1.3721 1.5919 -0.0761 -0.0906 0.2670 70 SER B CB 3347 O OG . SER B 75 ? 1.3676 1.4275 1.6445 -0.0758 -0.0906 0.2523 70 SER B OG 3348 N N . VAL B 76 ? 1.4402 1.4422 1.7361 -0.0801 -0.1182 0.2509 71 VAL B N 3349 C CA . VAL B 76 ? 1.4800 1.4662 1.7909 -0.0881 -0.1273 0.2491 71 VAL B CA 3350 C C . VAL B 76 ? 1.5820 1.5409 1.8941 -0.0857 -0.1381 0.2486 71 VAL B C 3351 O O . VAL B 76 ? 1.7385 1.6804 2.0634 -0.0936 -0.1461 0.2529 71 VAL B O 3352 C CB . VAL B 76 ? 1.5320 1.5216 1.8432 -0.0871 -0.1290 0.2317 71 VAL B CB 3353 C CG1 . VAL B 76 ? 1.6448 1.6129 1.9664 -0.0921 -0.1409 0.2251 71 VAL B CG1 3354 C CG2 . VAL B 76 ? 1.4651 1.4784 1.7805 -0.0921 -0.1203 0.2348 71 VAL B CG2 3355 N N . GLU B 77 ? 1.5718 1.5271 1.8710 -0.0747 -0.1383 0.2436 72 GLU B N 3356 C CA . GLU B 77 ? 1.6629 1.5940 1.9610 -0.0690 -0.1478 0.2407 72 GLU B CA 3357 C C . GLU B 77 ? 1.7127 1.6226 2.0227 -0.0772 -0.1553 0.2540 72 GLU B C 3358 O O . GLU B 77 ? 1.7311 1.6188 2.0476 -0.0785 -0.1652 0.2469 72 GLU B O 3359 C CB . GLU B 77 ? 1.6184 1.5547 1.9033 -0.0582 -0.1448 0.2427 72 GLU B CB 3360 C CG . GLU B 77 ? 1.5392 1.4637 1.8181 -0.0466 -0.1507 0.2276 72 GLU B CG 3361 C CD . GLU B 77 ? 1.5246 1.4566 1.7922 -0.0364 -0.1483 0.2301 72 GLU B CD 3362 O OE1 . GLU B 77 ? 1.4971 1.4198 1.7616 -0.0265 -0.1534 0.2203 72 GLU B OE1 3363 O OE2 . GLU B 77 ? 1.4671 1.4148 1.7290 -0.0381 -0.1414 0.2416 72 GLU B OE2 3364 N N . GLY B 78 ? 1.5489 1.4649 1.8610 -0.0826 -0.1506 0.2730 73 GLY B N 3365 C CA . GLY B 78 ? 1.6994 1.5961 2.0225 -0.0908 -0.1566 0.2880 73 GLY B CA 3366 C C . GLY B 78 ? 1.7311 1.6168 2.0711 -0.1026 -0.1632 0.2863 73 GLY B C 3367 O O . GLY B 78 ? 1.7432 1.6024 2.0890 -0.1040 -0.1741 0.2829 73 GLY B O 3368 N N . GLU B 79 ? 1.5751 1.4810 1.9229 -0.1109 -0.1569 0.2884 74 GLU B N 3369 C CA . GLU B 79 ? 1.6228 1.5223 1.9881 -0.1229 -0.1631 0.2874 74 GLU B CA 3370 C C . GLU B 79 ? 1.6008 1.4832 1.9645 -0.1189 -0.1734 0.2668 74 GLU B C 3371 O O . GLU B 79 ? 1.6693 1.5309 2.0442 -0.1262 -0.1840 0.2651 74 GLU B O 3372 C CB . GLU B 79 ? 1.6035 1.5315 1.9764 -0.1300 -0.1539 0.2913 74 GLU B CB 3373 C CG . GLU B 79 ? 1.7204 1.6647 2.0972 -0.1357 -0.1436 0.3126 74 GLU B CG 3374 C CD . GLU B 79 ? 1.7778 1.7524 2.1597 -0.1396 -0.1329 0.3148 74 GLU B CD 3375 O OE1 . GLU B 79 ? 1.6889 1.6826 2.0571 -0.1319 -0.1223 0.3148 74 GLU B OE1 3376 O OE2 . GLU B 79 ? 1.8167 1.7959 2.2167 -0.1501 -0.1355 0.3163 74 GLU B OE2 3377 N N . LEU B 80 ? 2.0039 1.8946 2.3532 -0.1074 -0.1703 0.2512 75 LEU B N 3378 C CA . LEU B 80 ? 2.0527 1.9287 2.3980 -0.1023 -0.1785 0.2312 75 LEU B CA 3379 C C . LEU B 80 ? 2.0818 1.9259 2.4263 -0.0983 -0.1894 0.2283 75 LEU B C 3380 O O . LEU B 80 ? 2.1025 1.9259 2.4530 -0.1023 -0.1998 0.2202 75 LEU B O 3381 C CB . LEU B 80 ? 1.9940 1.8855 2.3237 -0.0904 -0.1718 0.2168 75 LEU B CB 3382 C CG . LEU B 80 ? 1.9871 1.8859 2.3158 -0.0911 -0.1723 0.2015 75 LEU B CG 3383 C CD1 . LEU B 80 ? 1.9322 1.8433 2.2450 -0.0791 -0.1658 0.1879 75 LEU B CD1 3384 C CD2 . LEU B 80 ? 1.9511 1.8246 2.2850 -0.0943 -0.1851 0.1912 75 LEU B CD2 3385 N N . ASN B 81 ? 2.0192 1.8590 2.3560 -0.0902 -0.1874 0.2347 76 ASN B N 3386 C CA . ASN B 81 ? 2.1142 1.9241 2.4501 -0.0849 -0.1972 0.2332 76 ASN B CA 3387 C C . ASN B 81 ? 2.1432 1.9313 2.4937 -0.0974 -0.2056 0.2456 76 ASN B C 3388 O O . ASN B 81 ? 2.1513 1.9110 2.5047 -0.0969 -0.2166 0.2386 76 ASN B O 3389 C CB . ASN B 81 ? 2.1038 1.9160 2.4294 -0.0740 -0.1934 0.2400 76 ASN B CB 3390 C CG . ASN B 81 ? 2.0068 1.8322 2.3189 -0.0602 -0.1887 0.2245 76 ASN B CG 3391 O OD1 . ASN B 81 ? 1.9282 1.7496 2.2374 -0.0559 -0.1915 0.2068 76 ASN B OD1 3392 N ND2 . ASN B 81 ? 1.9072 1.7485 2.2108 -0.0535 -0.1818 0.2312 76 ASN B ND2 3393 N N . ALA B 82 ? 1.7931 1.5946 2.1530 -0.1086 -0.2000 0.2640 77 ALA B N 3394 C CA . ALA B 82 ? 1.7856 1.5696 2.1615 -0.1223 -0.2067 0.2778 77 ALA B CA 3395 C C . ALA B 82 ? 1.7690 1.5417 2.1561 -0.1312 -0.2162 0.2666 77 ALA B C 3396 O O . ALA B 82 ? 1.8415 1.5852 2.2362 -0.1362 -0.2277 0.2662 77 ALA B O 3397 C CB . ALA B 82 ? 1.7507 1.5564 2.1347 -0.1324 -0.1969 0.2989 77 ALA B CB 3398 N N . ILE B 83 ? 1.4872 1.2821 1.8747 -0.1328 -0.2117 0.2573 78 ILE B N 3399 C CA . ILE B 83 ? 1.4997 1.2870 1.8964 -0.1407 -0.2207 0.2460 78 ILE B CA 3400 C C . ILE B 83 ? 1.5569 1.3171 1.9435 -0.1317 -0.2313 0.2261 78 ILE B C 3401 O O . ILE B 83 ? 1.6021 1.3390 1.9964 -0.1386 -0.2434 0.2208 78 ILE B O 3402 C CB . ILE B 83 ? 1.4245 1.2424 1.8217 -0.1424 -0.2132 0.2402 78 ILE B CB 3403 C CG1 . ILE B 83 ? 1.4112 1.2530 1.8227 -0.1538 -0.2045 0.2598 78 ILE B CG1 3404 C CG2 . ILE B 83 ? 1.4763 1.2852 1.8781 -0.1472 -0.2235 0.2249 78 ILE B CG2 3405 C CD1 . ILE B 83 ? 1.4120 1.2858 1.8226 -0.1531 -0.1949 0.2563 78 ILE B CD1 3406 N N . LEU B 84 ? 2.6398 2.4031 3.0091 -0.1162 -0.2267 0.2151 79 LEU B N 3407 C CA . LEU B 84 ? 2.6988 2.4373 3.0576 -0.1056 -0.2351 0.1970 79 LEU B CA 3408 C C . LEU B 84 ? 2.6892 2.3934 3.0530 -0.1069 -0.2456 0.2025 79 LEU B C 3409 O O . LEU B 84 ? 2.6221 2.2993 2.9846 -0.1056 -0.2567 0.1898 79 LEU B O 3410 C CB . LEU B 84 ? 2.6464 2.3969 2.9885 -0.0890 -0.2270 0.1877 79 LEU B CB 3411 C CG . LEU B 84 ? 2.5349 2.2992 2.8661 -0.0822 -0.2234 0.1688 79 LEU B CG 3412 C CD1 . LEU B 84 ? 2.5359 2.3066 2.8746 -0.0938 -0.2265 0.1652 79 LEU B CD1 3413 C CD2 . LEU B 84 ? 2.4456 2.2394 2.7678 -0.0744 -0.2101 0.1705 79 LEU B CD2 3414 N N . GLU B 85 ? 2.0098 1.7142 2.3783 -0.1092 -0.2422 0.2216 80 GLU B N 3415 C CA . GLU B 85 ? 2.0674 1.7396 2.4412 -0.1113 -0.2514 0.2302 80 GLU B CA 3416 C C . GLU B 85 ? 2.0459 1.6999 2.4362 -0.1279 -0.2618 0.2344 80 GLU B C 3417 O O . GLU B 85 ? 1.9934 1.6137 2.3853 -0.1282 -0.2739 0.2285 80 GLU B O 3418 C CB . GLU B 85 ? 2.0381 1.7181 2.4125 -0.1108 -0.2443 0.2515 80 GLU B CB 3419 C CG . GLU B 85 ? 2.0754 1.7224 2.4551 -0.1132 -0.2532 0.2632 80 GLU B CG 3420 C CD . GLU B 85 ? 2.1168 1.7735 2.4974 -0.1153 -0.2457 0.2867 80 GLU B CD 3421 O OE1 . GLU B 85 ? 2.0739 1.7502 2.4639 -0.1278 -0.2389 0.3014 80 GLU B OE1 3422 O OE2 . GLU B 85 ? 2.2045 1.8495 2.5760 -0.1039 -0.2466 0.2904 80 GLU B OE2 3423 N N . GLU B 86 ? 2.2409 1.9174 2.6439 -0.1417 -0.2572 0.2444 81 GLU B N 3424 C CA . GLU B 86 ? 2.2106 1.8746 2.6323 -0.1592 -0.2665 0.2502 81 GLU B CA 3425 C C . GLU B 86 ? 2.2301 1.8712 2.6504 -0.1596 -0.2799 0.2297 81 GLU B C 3426 O O . GLU B 86 ? 2.3203 1.9324 2.7503 -0.1685 -0.2923 0.2307 81 GLU B O 3427 C CB . GLU B 86 ? 2.2168 1.9147 2.6520 -0.1716 -0.2582 0.2611 81 GLU B CB 3428 C CG . GLU B 86 ? 2.3023 2.0182 2.7438 -0.1765 -0.2469 0.2851 81 GLU B CG 3429 C CD . GLU B 86 ? 2.3268 2.0720 2.7854 -0.1905 -0.2403 0.2962 81 GLU B CD 3430 O OE1 . GLU B 86 ? 2.3281 2.0780 2.7952 -0.1971 -0.2461 0.2857 81 GLU B OE1 3431 O OE2 . GLU B 86 ? 2.2638 2.0276 2.7271 -0.1945 -0.2295 0.3153 81 GLU B OE2 3432 N N . ASN B 87 ? 1.8189 1.4724 2.2263 -0.1500 -0.2775 0.2110 82 ASN B N 3433 C CA . ASN B 87 ? 1.8490 1.4851 2.2535 -0.1509 -0.2892 0.1913 82 ASN B CA 3434 C C . ASN B 87 ? 1.8758 1.4844 2.2625 -0.1352 -0.2949 0.1733 82 ASN B C 3435 O O . ASN B 87 ? 1.8550 1.4587 2.2309 -0.1294 -0.2992 0.1536 82 ASN B O 3436 C CB . ASN B 87 ? 1.8091 1.4748 2.2108 -0.1516 -0.2838 0.1821 82 ASN B CB 3437 C CG . ASN B 87 ? 1.8575 1.5547 2.2757 -0.1642 -0.2756 0.1997 82 ASN B CG 3438 O OD1 . ASN B 87 ? 1.8335 1.5419 2.2570 -0.1659 -0.2669 0.2177 82 ASN B OD1 3439 N ND2 . ASN B 87 ? 1.8571 1.5687 2.2829 -0.1725 -0.2783 0.1946 82 ASN B ND2 3440 N N . GLY B 88 ? 1.8365 1.4277 2.2201 -0.1279 -0.2948 0.1805 83 GLY B N 3441 C CA . GLY B 88 ? 1.8647 1.4271 2.2345 -0.1133 -0.3010 0.1656 83 GLY B CA 3442 C C . GLY B 88 ? 1.9391 1.5164 2.2907 -0.0962 -0.2934 0.1481 83 GLY B C 3443 O O . GLY B 88 ? 1.8829 1.4440 2.2237 -0.0888 -0.2994 0.1284 83 GLY B O 3444 N N . VAL B 89 ? 2.5460 2.1540 2.8937 -0.0902 -0.2800 0.1554 84 VAL B N 3445 C CA . VAL B 89 ? 2.5360 2.1602 2.8679 -0.0746 -0.2717 0.1408 84 VAL B CA 3446 C C . VAL B 89 ? 2.5296 2.1615 2.8567 -0.0626 -0.2640 0.1489 84 VAL B C 3447 O O . VAL B 89 ? 2.4505 2.1072 2.7810 -0.0656 -0.2548 0.1635 84 VAL B O 3448 C CB . VAL B 89 ? 2.4979 2.1567 2.8280 -0.0785 -0.2626 0.1380 84 VAL B CB 3449 C CG1 . VAL B 89 ? 2.4682 2.1409 2.7819 -0.0629 -0.2547 0.1223 84 VAL B CG1 3450 C CG2 . VAL B 89 ? 2.4532 2.1066 2.7892 -0.0908 -0.2709 0.1314 84 VAL B CG2 3451 N N . GLN B 90 ? 2.2436 1.8542 2.5628 -0.0487 -0.2680 0.1392 85 GLN B N 3452 C CA . GLN B 90 ? 2.2438 1.8619 2.5582 -0.0355 -0.2618 0.1447 85 GLN B CA 3453 C C . GLN B 90 ? 2.2333 1.8852 2.5385 -0.0271 -0.2496 0.1372 85 GLN B C 3454 O O . GLN B 90 ? 2.2530 1.9045 2.5484 -0.0141 -0.2480 0.1206 85 GLN B O 3455 C CB . GLN B 90 ? 2.3249 1.9118 2.6342 -0.0218 -0.2695 0.1350 85 GLN B CB 3456 C CG . GLN B 90 ? 2.3987 1.9518 2.7168 -0.0277 -0.2804 0.1466 85 GLN B CG 3457 C CD . GLN B 90 ? 2.4956 2.0217 2.8085 -0.0116 -0.2862 0.1396 85 GLN B CD 3458 O OE1 . GLN B 90 ? 2.4917 2.0269 2.7957 0.0043 -0.2813 0.1271 85 GLN B OE1 3459 N NE2 . GLN B 90 ? 2.5262 2.0187 2.8455 -0.0155 -0.2965 0.1480 85 GLN B NE2 3460 N N . LEU B 91 ? 1.9692 1.6500 2.2776 -0.0346 -0.2408 0.1496 86 LEU B N 3461 C CA . LEU B 91 ? 1.8540 1.5669 2.1543 -0.0284 -0.2293 0.1437 86 LEU B CA 3462 C C . LEU B 91 ? 1.7984 1.5372 2.1019 -0.0339 -0.2205 0.1616 86 LEU B C 3463 O O . LEU B 91 ? 1.8296 1.5734 2.1417 -0.0474 -0.2202 0.1744 86 LEU B O 3464 C CB . LEU B 91 ? 1.8409 1.5631 2.1377 -0.0330 -0.2280 0.1301 86 LEU B CB 3465 C CG . LEU B 91 ? 1.7553 1.5087 2.0434 -0.0277 -0.2164 0.1230 86 LEU B CG 3466 C CD1 . LEU B 91 ? 1.7439 1.5008 2.0236 -0.0115 -0.2123 0.1149 86 LEU B CD1 3467 C CD2 . LEU B 91 ? 1.6791 1.4352 1.9624 -0.0311 -0.2171 0.1086 86 LEU B CD2 3468 N N . THR B 92 ? 2.0711 1.8268 2.3677 -0.0232 -0.2134 0.1622 87 THR B N 3469 C CA . THR B 92 ? 2.0917 1.8706 2.3885 -0.0266 -0.2053 0.1783 87 THR B CA 3470 C C . THR B 92 ? 2.0036 1.8135 2.2924 -0.0224 -0.1945 0.1710 87 THR B C 3471 O O . THR B 92 ? 1.9900 1.8051 2.2716 -0.0105 -0.1923 0.1590 87 THR B O 3472 C CB . THR B 92 ? 2.1293 1.9003 2.4250 -0.0187 -0.2073 0.1893 87 THR B CB 3473 O OG1 . THR B 92 ? 2.1961 1.9370 2.4994 -0.0232 -0.2171 0.1977 87 THR B OG1 3474 C CG2 . THR B 92 ? 2.0278 1.8226 2.3214 -0.0220 -0.1990 0.2056 87 THR B CG2 3475 N N . VAL B 93 ? 1.8899 1.7202 2.1806 -0.0323 -0.1878 0.1786 88 VAL B N 3476 C CA . VAL B 93 ? 1.8355 1.6943 2.1185 -0.0294 -0.1775 0.1731 88 VAL B CA 3477 C C . VAL B 93 ? 1.8193 1.6936 2.0967 -0.0236 -0.1717 0.1828 88 VAL B C 3478 O O . VAL B 93 ? 1.7816 1.6593 2.0617 -0.0294 -0.1701 0.1996 88 VAL B O 3479 C CB . VAL B 93 ? 1.8327 1.7072 2.1198 -0.0413 -0.1725 0.1770 88 VAL B CB 3480 C CG1 . VAL B 93 ? 1.7204 1.6230 1.9989 -0.0380 -0.1618 0.1728 88 VAL B CG1 3481 C CG2 . VAL B 93 ? 1.7893 1.6506 2.0807 -0.0466 -0.1789 0.1660 88 VAL B CG2 3482 N N . VAL B 94 ? 1.5315 1.4156 1.8013 -0.0124 -0.1686 0.1722 89 VAL B N 3483 C CA . VAL B 94 ? 1.4509 1.3498 1.7149 -0.0060 -0.1644 0.1793 89 VAL B CA 3484 C C . VAL B 94 ? 1.3780 1.3045 1.6346 -0.0058 -0.1544 0.1742 89 VAL B C 3485 O O . VAL B 94 ? 1.3680 1.3010 1.6213 -0.0011 -0.1519 0.1591 89 VAL B O 3486 C CB . VAL B 94 ? 1.4708 1.3600 1.7332 0.0074 -0.1694 0.1726 89 VAL B CB 3487 C CG1 . VAL B 94 ? 1.4226 1.3251 1.6801 0.0131 -0.1672 0.1823 89 VAL B CG1 3488 C CG2 . VAL B 94 ? 1.5391 1.3979 1.8082 0.0083 -0.1796 0.1745 89 VAL B CG2 3489 N N . VAL B 95 ? 1.2935 1.2355 1.5470 -0.0106 -0.1486 0.1870 90 VAL B N 3490 C CA . VAL B 95 ? 1.2216 1.1884 1.4676 -0.0112 -0.1392 0.1832 90 VAL B CA 3491 C C . VAL B 95 ? 1.1957 1.1760 1.4333 -0.0033 -0.1367 0.1852 90 VAL B C 3492 O O . VAL B 95 ? 1.1537 1.1351 1.3885 -0.0038 -0.1371 0.1992 90 VAL B O 3493 C CB . VAL B 95 ? 1.1857 1.1627 1.4332 -0.0222 -0.1334 0.1944 90 VAL B CB 3494 C CG1 . VAL B 95 ? 1.1788 1.1800 1.4173 -0.0216 -0.1237 0.1916 90 VAL B CG1 3495 C CG2 . VAL B 95 ? 1.1866 1.1543 1.4430 -0.0303 -0.1359 0.1906 90 VAL B CG2 3496 N N . GLY B 96 ? 1.3569 1.3478 1.5904 0.0036 -0.1342 0.1714 91 GLY B N 3497 C CA . GLY B 96 ? 1.3337 1.3384 1.5605 0.0110 -0.1327 0.1714 91 GLY B CA 3498 C C . GLY B 96 ? 1.3284 1.3553 1.5466 0.0082 -0.1238 0.1696 91 GLY B C 3499 O O . GLY B 96 ? 1.3056 1.3378 1.5230 0.0006 -0.1183 0.1706 91 GLY B O 3500 N N . SER B 97 ? 1.4594 1.4994 1.6718 0.0146 -0.1229 0.1669 92 SER B N 3501 C CA . SER B 97 ? 1.4120 1.4718 1.6152 0.0125 -0.1153 0.1644 92 SER B CA 3502 C C . SER B 97 ? 1.3555 1.4220 1.5593 0.0112 -0.1100 0.1497 92 SER B C 3503 O O . SER B 97 ? 1.3417 1.3997 1.5519 0.0140 -0.1125 0.1398 92 SER B O 3504 C CB . SER B 97 ? 1.3591 1.4300 1.5564 0.0195 -0.1173 0.1646 92 SER B CB 3505 O OG . SER B 97 ? 1.5297 1.5971 1.7226 0.0201 -0.1209 0.1797 92 SER B OG 3506 N N . VAL B 98 ? 1.2411 1.3219 1.4373 0.0073 -0.1026 0.1485 93 VAL B N 3507 C CA . VAL B 98 ? 1.2185 1.3062 1.4136 0.0060 -0.0971 0.1355 93 VAL B CA 3508 C C . VAL B 98 ? 1.1464 1.2437 1.3402 0.0125 -0.0971 0.1247 93 VAL B C 3509 O O . VAL B 98 ? 1.1610 1.2682 1.3498 0.0152 -0.0976 0.1276 93 VAL B O 3510 C CB . VAL B 98 ? 1.1230 1.2216 1.3107 -0.0001 -0.0891 0.1382 93 VAL B CB 3511 C CG1 . VAL B 98 ? 1.0971 1.2012 1.2832 -0.0011 -0.0839 0.1252 93 VAL B CG1 3512 C CG2 . VAL B 98 ? 1.1916 1.2833 1.3827 -0.0067 -0.0886 0.1492 93 VAL B CG2 3513 N N . LYS B 99 ? 1.1277 1.2225 1.3261 0.0147 -0.0964 0.1125 94 LYS B N 3514 C CA . LYS B 99 ? 1.1053 1.2100 1.3048 0.0203 -0.0956 0.1020 94 LYS B CA 3515 C C . LYS B 99 ? 0.9985 1.1126 1.1934 0.0169 -0.0878 0.0922 94 LYS B C 3516 O O . LYS B 99 ? 0.9783 1.0858 1.1732 0.0139 -0.0851 0.0876 94 LYS B O 3517 C CB . LYS B 99 ? 1.0932 1.1880 1.3019 0.0272 -0.1007 0.0956 94 LYS B CB 3518 C CG . LYS B 99 ? 1.1801 1.2658 1.3936 0.0322 -0.1090 0.1045 94 LYS B CG 3519 C CD . LYS B 99 ? 1.2281 1.3272 1.4406 0.0370 -0.1114 0.1072 94 LYS B CD 3520 C CE . LYS B 99 ? 1.3100 1.3997 1.5257 0.0419 -0.1198 0.1179 94 LYS B CE 3521 N NZ . LYS B 99 ? 1.3002 1.3888 1.5077 0.0366 -0.1202 0.1323 94 LYS B NZ 3522 N N . ASN B 100 ? 0.8885 1.0171 1.0789 0.0172 -0.0848 0.0893 95 ASN B N 3523 C CA . ASN B 100 ? 0.8231 0.9602 1.0084 0.0137 -0.0774 0.0810 95 ASN B CA 3524 C C . ASN B 100 ? 0.8124 0.9559 1.0032 0.0176 -0.0759 0.0692 95 ASN B C 3525 O O . ASN B 100 ? 0.8867 1.0365 1.0833 0.0228 -0.0799 0.0679 95 ASN B O 3526 C CB . ASN B 100 ? 0.8621 1.0103 1.0380 0.0104 -0.0742 0.0849 95 ASN B CB 3527 C CG . ASN B 100 ? 0.9000 1.0439 1.0698 0.0062 -0.0732 0.0959 95 ASN B CG 3528 O OD1 . ASN B 100 ? 0.8358 0.9771 1.0027 0.0017 -0.0683 0.0958 95 ASN B OD1 3529 N ND2 . ASN B 100 ? 1.0079 1.1518 1.1759 0.0078 -0.0776 0.1059 95 ASN B ND2 3530 N N . PRO B 101 ? 0.8356 0.9780 1.0246 0.0152 -0.0701 0.0609 96 PRO B N 3531 C CA . PRO B 101 ? 0.7589 0.8943 0.9417 0.0097 -0.0661 0.0620 96 PRO B CA 3532 C C . PRO B 101 ? 0.8072 0.9273 0.9939 0.0102 -0.0704 0.0649 96 PRO B C 3533 O O . PRO B 101 ? 0.8671 0.9805 1.0605 0.0154 -0.0749 0.0622 96 PRO B O 3534 C CB . PRO B 101 ? 0.7530 0.8925 0.9333 0.0086 -0.0594 0.0513 96 PRO B CB 3535 C CG . PRO B 101 ? 0.7086 0.8604 0.8934 0.0119 -0.0589 0.0459 96 PRO B CG 3536 C CD . PRO B 101 ? 0.8493 0.9996 1.0422 0.0177 -0.0665 0.0500 96 PRO B CD 3537 N N . MET B 102 ? 0.8811 0.9958 1.0642 0.0049 -0.0692 0.0702 97 MET B N 3538 C CA . MET B 102 ? 0.8885 0.9886 1.0757 0.0039 -0.0738 0.0729 97 MET B CA 3539 C C . MET B 102 ? 0.8779 0.9712 1.0645 0.0052 -0.0726 0.0621 97 MET B C 3540 O O . MET B 102 ? 0.8568 0.9502 1.0381 0.0014 -0.0686 0.0593 97 MET B O 3541 C CB . MET B 102 ? 0.9377 1.0366 1.1229 -0.0025 -0.0729 0.0822 97 MET B CB 3542 C CG . MET B 102 ? 0.8706 0.9782 1.0533 -0.0038 -0.0719 0.0923 97 MET B CG 3543 S SD . MET B 102 ? 0.9954 1.0995 1.1800 -0.0102 -0.0723 0.1055 97 MET B SD 3544 C CE . MET B 102 ? 1.0082 1.1264 1.1841 -0.0108 -0.0671 0.1130 97 MET B CE 3545 N N . TRP B 103 ? 0.7815 0.8687 0.9728 0.0112 -0.0760 0.0562 98 TRP B N 3546 C CA . TRP B 103 ? 0.7969 0.8797 0.9861 0.0140 -0.0736 0.0448 98 TRP B CA 3547 C C . TRP B 103 ? 0.7628 0.8318 0.9489 0.0108 -0.0759 0.0432 98 TRP B C 3548 O O . TRP B 103 ? 0.8242 0.8833 1.0137 0.0080 -0.0818 0.0501 98 TRP B O 3549 C CB . TRP B 103 ? 0.8930 0.9727 1.0884 0.0222 -0.0765 0.0391 98 TRP B CB 3550 C CG . TRP B 103 ? 0.7993 0.8945 0.9985 0.0258 -0.0741 0.0383 98 TRP B CG 3551 C CD1 . TRP B 103 ? 0.8696 0.9677 1.0760 0.0303 -0.0791 0.0432 98 TRP B CD1 3552 C CD2 . TRP B 103 ? 0.8228 0.9329 1.0192 0.0248 -0.0666 0.0325 98 TRP B CD2 3553 N NE1 . TRP B 103 ? 0.8026 0.9174 1.0113 0.0322 -0.0757 0.0404 98 TRP B NE1 3554 C CE2 . TRP B 103 ? 0.7879 0.9102 0.9911 0.0285 -0.0680 0.0338 98 TRP B CE2 3555 C CE3 . TRP B 103 ? 0.7575 0.8712 0.9466 0.0209 -0.0593 0.0267 98 TRP B CE3 3556 C CZ2 . TRP B 103 ? 0.6453 0.7836 0.8489 0.0277 -0.0624 0.0291 98 TRP B CZ2 3557 C CZ3 . TRP B 103 ? 0.5926 0.7211 0.7815 0.0202 -0.0533 0.0225 98 TRP B CZ3 3558 C CH2 . TRP B 103 ? 0.6578 0.7986 0.8545 0.0233 -0.0549 0.0235 98 TRP B CH2 3559 N N . ARG B 104 ? 0.9566 1.0253 1.1360 0.0111 -0.0713 0.0341 99 ARG B N 3560 C CA . ARG B 104 ? 0.9313 0.9882 1.1058 0.0083 -0.0734 0.0311 99 ARG B CA 3561 C C . ARG B 104 ? 1.0008 1.0413 1.1772 0.0131 -0.0798 0.0256 99 ARG B C 3562 O O . ARG B 104 ? 1.0689 1.1086 1.2446 0.0198 -0.0779 0.0171 99 ARG B O 3563 C CB . ARG B 104 ? 0.9300 0.9923 1.0947 0.0075 -0.0659 0.0236 99 ARG B CB 3564 C CG . ARG B 104 ? 0.9371 0.9943 1.0956 0.0022 -0.0666 0.0247 99 ARG B CG 3565 C CD . ARG B 104 ? 0.9238 0.9850 1.0716 0.0024 -0.0592 0.0173 99 ARG B CD 3566 N NE . ARG B 104 ? 0.7915 0.8652 0.9367 -0.0014 -0.0527 0.0214 99 ARG B NE 3567 C CZ . ARG B 104 ? 0.9557 1.0345 1.0925 -0.0017 -0.0454 0.0165 99 ARG B CZ 3568 N NH1 . ARG B 104 ? 1.0205 1.0943 1.1505 0.0016 -0.0429 0.0078 99 ARG B NH1 3569 N NH2 . ARG B 104 ? 0.8694 0.9577 1.0039 -0.0051 -0.0403 0.0204 99 ARG B NH2 3570 N N . GLY B 105 ? 0.9248 0.9524 1.1044 0.0096 -0.0874 0.0304 100 GLY B N 3571 C CA . GLY B 105 ? 0.8820 0.8912 1.0622 0.0132 -0.0945 0.0248 100 GLY B CA 3572 C C . GLY B 105 ? 0.9027 0.9028 1.0738 0.0112 -0.0955 0.0174 100 GLY B C 3573 O O . GLY B 105 ? 0.8725 0.8770 1.0407 0.0047 -0.0945 0.0211 100 GLY B O 3574 N N . PRO B 106 ? 0.8109 0.7983 0.9767 0.0172 -0.0976 0.0067 101 PRO B N 3575 C CA . PRO B 106 ? 0.8648 0.8424 1.0190 0.0165 -0.0988 -0.0018 101 PRO B CA 3576 C C . PRO B 106 ? 0.9314 0.8924 1.0876 0.0111 -0.1097 0.0006 101 PRO B C 3577 O O . PRO B 106 ? 0.9437 0.8976 1.0909 0.0088 -0.1123 -0.0046 101 PRO B O 3578 C CB . PRO B 106 ? 0.6775 0.6485 0.8255 0.0262 -0.0963 -0.0139 101 PRO B CB 3579 C CG . PRO B 106 ? 0.7956 0.7626 0.9549 0.0310 -0.1002 -0.0110 101 PRO B CG 3580 C CD . PRO B 106 ? 0.8199 0.8018 0.9894 0.0262 -0.0986 0.0016 101 PRO B CD 3581 N N . GLN B 107 ? 0.9044 0.8592 1.0724 0.0090 -0.1163 0.0087 102 GLN B N 3582 C CA . GLN B 107 ? 0.9067 0.8456 1.0792 0.0030 -0.1272 0.0119 102 GLN B CA 3583 C C . GLN B 107 ? 0.9808 0.9299 1.1615 -0.0069 -0.1280 0.0246 102 GLN B C 3584 O O . GLN B 107 ? 0.9804 0.9473 1.1639 -0.0082 -0.1206 0.0317 102 GLN B O 3585 C CB . GLN B 107 ? 0.9457 0.8688 1.1262 0.0063 -0.1345 0.0134 102 GLN B CB 3586 C CG . GLN B 107 ? 1.0094 0.9254 1.1845 0.0178 -0.1323 0.0023 102 GLN B CG 3587 C CD . GLN B 107 ? 0.9487 0.8447 1.1133 0.0213 -0.1378 -0.0107 102 GLN B CD 3588 O OE1 . GLN B 107 ? 1.0316 0.9196 1.1919 0.0148 -0.1436 -0.0119 102 GLN B OE1 3589 N NE2 . GLN B 107 ? 0.8901 0.7782 1.0503 0.0319 -0.1362 -0.0206 102 GLN B NE2 3590 N N . ARG B 108 ? 1.1992 1.1371 1.3842 -0.0138 -0.1370 0.0272 103 ARG B N 3591 C CA . ARG B 108 ? 1.2569 1.2032 1.4533 -0.0233 -0.1389 0.0403 103 ARG B CA 3592 C C . ARG B 108 ? 1.2888 1.2174 1.4950 -0.0291 -0.1509 0.0441 103 ARG B C 3593 O O . ARG B 108 ? 1.3192 1.2290 1.5202 -0.0273 -0.1586 0.0344 103 ARG B O 3594 C CB . ARG B 108 ? 1.1743 1.1326 1.3662 -0.0277 -0.1357 0.0402 103 ARG B CB 3595 C CG . ARG B 108 ? 1.1354 1.1140 1.3223 -0.0252 -0.1237 0.0421 103 ARG B CG 3596 C CD . ARG B 108 ? 1.0781 1.0565 1.2496 -0.0184 -0.1183 0.0296 103 ARG B CD 3597 N NE . ARG B 108 ? 1.0423 1.0356 1.2104 -0.0140 -0.1076 0.0297 103 ARG B NE 3598 C CZ . ARG B 108 ? 1.1721 1.1697 1.3283 -0.0093 -0.1006 0.0211 103 ARG B CZ 3599 N NH1 . ARG B 108 ? 1.3131 1.3013 1.4583 -0.0079 -0.1028 0.0120 103 ARG B NH1 3600 N NH2 . ARG B 108 ? 1.1461 1.1572 1.3010 -0.0064 -0.0915 0.0217 103 ARG B NH2 3601 N N . LEU B 109 ? 0.9642 0.8982 1.1841 -0.0363 -0.1523 0.0581 104 LEU B N 3602 C CA . LEU B 109 ? 1.0283 0.9470 1.2599 -0.0437 -0.1633 0.0637 104 LEU B CA 3603 C C . LEU B 109 ? 1.1274 1.0399 1.3581 -0.0497 -0.1710 0.0583 104 LEU B C 3604 O O . LEU B 109 ? 1.0929 1.0207 1.3231 -0.0531 -0.1673 0.0601 104 LEU B O 3605 C CB . LEU B 109 ? 1.0237 0.9534 1.2699 -0.0511 -0.1613 0.0811 104 LEU B CB 3606 C CG . LEU B 109 ? 1.0367 0.9689 1.2852 -0.0467 -0.1567 0.0887 104 LEU B CG 3607 C CD1 . LEU B 109 ? 1.0597 1.0027 1.3210 -0.0546 -0.1546 0.1062 104 LEU B CD1 3608 C CD2 . LEU B 109 ? 1.1277 1.0364 1.3759 -0.0418 -0.1644 0.0839 104 LEU B CD2 3609 N N . PRO B 110 ? 1.4982 1.3876 1.7284 -0.0506 -0.1823 0.0513 105 PRO B N 3610 C CA . PRO B 110 ? 1.5321 1.4144 1.7610 -0.0565 -0.1914 0.0455 105 PRO B CA 3611 C C . PRO B 110 ? 1.5251 1.4117 1.7731 -0.0692 -0.1978 0.0584 105 PRO B C 3612 O O . PRO B 110 ? 1.4980 1.3799 1.7592 -0.0737 -0.2000 0.0689 105 PRO B O 3613 C CB . PRO B 110 ? 1.4961 1.3506 1.7168 -0.0521 -0.2010 0.0329 105 PRO B CB 3614 C CG . PRO B 110 ? 1.5850 1.4300 1.8132 -0.0495 -0.2009 0.0389 105 PRO B CG 3615 C CD . PRO B 110 ? 1.5017 1.3695 1.7322 -0.0461 -0.1878 0.0480 105 PRO B CD 3616 N N . VAL B 111 ? 1.7993 1.6955 2.0491 -0.0748 -0.2004 0.0582 106 VAL B N 3617 C CA . VAL B 111 ? 1.8830 1.7813 2.1520 -0.0872 -0.2088 0.0683 106 VAL B CA 3618 C C . VAL B 111 ? 1.9860 1.8567 2.2561 -0.0910 -0.2240 0.0610 106 VAL B C 3619 O O . VAL B 111 ? 2.0561 1.9134 2.3114 -0.0868 -0.2301 0.0465 106 VAL B O 3620 C CB . VAL B 111 ? 1.8369 1.7537 2.1083 -0.0914 -0.2083 0.0696 106 VAL B CB 3621 C CG1 . VAL B 111 ? 1.8495 1.7609 2.0999 -0.0842 -0.2096 0.0539 106 VAL B CG1 3622 C CG2 . VAL B 111 ? 1.9141 1.8300 2.2055 -0.1041 -0.2198 0.0770 106 VAL B CG2 3623 N N . PRO B 112 ? 1.7906 1.6515 2.0772 -0.0986 -0.2300 0.0708 107 PRO B N 3624 C CA . PRO B 112 ? 1.8874 1.7192 2.1747 -0.1020 -0.2447 0.0635 107 PRO B CA 3625 C C . PRO B 112 ? 1.9709 1.8024 2.2650 -0.1117 -0.2565 0.0609 107 PRO B C 3626 O O . PRO B 112 ? 2.0212 1.8313 2.3055 -0.1110 -0.2680 0.0476 107 PRO B O 3627 C CB . PRO B 112 ? 1.8526 1.6760 2.1541 -0.1059 -0.2449 0.0761 107 PRO B CB 3628 C CG . PRO B 112 ? 1.7934 1.6448 2.1092 -0.1112 -0.2346 0.0932 107 PRO B CG 3629 C CD . PRO B 112 ? 1.7029 1.5768 2.0058 -0.1035 -0.2231 0.0885 107 PRO B CD 3630 N N . VAL B 113 ? 1.9735 1.8289 2.2841 -0.1201 -0.2536 0.0732 108 VAL B N 3631 C CA . VAL B 113 ? 2.0718 1.9319 2.3976 -0.1320 -0.2648 0.0761 108 VAL B CA 3632 C C . VAL B 113 ? 2.1800 2.0150 2.5184 -0.1418 -0.2798 0.0771 108 VAL B C 3633 O O . VAL B 113 ? 2.1636 1.9886 2.5064 -0.1492 -0.2942 0.0712 108 VAL B O 3634 C CB . VAL B 113 ? 2.1042 1.9633 2.4132 -0.1279 -0.2705 0.0612 108 VAL B CB 3635 C CG1 . VAL B 113 ? 2.1019 1.9293 2.3949 -0.1249 -0.2835 0.0444 108 VAL B CG1 3636 C CG2 . VAL B 113 ? 1.9591 1.8368 2.2851 -0.1380 -0.2766 0.0677 108 VAL B CG2 3637 N N . ASN B 114 ? 2.4858 2.3110 2.8306 -0.1421 -0.2766 0.0853 109 ASN B N 3638 C CA . ASN B 114 ? 2.4569 2.2585 2.8153 -0.1516 -0.2888 0.0894 109 ASN B CA 3639 C C . ASN B 114 ? 2.3808 2.1836 2.7486 -0.1518 -0.2800 0.1043 109 ASN B C 3640 O O . ASN B 114 ? 2.4282 2.2096 2.7862 -0.1448 -0.2804 0.1002 109 ASN B O 3641 C CB . ASN B 114 ? 2.4832 2.2508 2.8240 -0.1459 -0.3004 0.0713 109 ASN B CB 3642 C CG . ASN B 114 ? 2.5510 2.3039 2.8979 -0.1563 -0.3185 0.0641 109 ASN B CG 3643 O OD1 . ASN B 114 ? 2.5873 2.3589 2.9473 -0.1653 -0.3220 0.0691 109 ASN B OD1 3644 N ND2 . ASN B 114 ? 2.4895 2.2086 2.8270 -0.1548 -0.3306 0.0521 109 ASN B ND2 3645 N N . GLU B 115 ? 1.7187 1.5468 2.1045 -0.1591 -0.2718 0.1217 110 GLU B N 3646 C CA . GLU B 115 ? 1.7166 1.5504 2.1088 -0.1583 -0.2614 0.1370 110 GLU B CA 3647 C C . GLU B 115 ? 1.7716 1.5770 2.1717 -0.1638 -0.2704 0.1419 110 GLU B C 3648 O O . GLU B 115 ? 1.8406 1.6284 2.2516 -0.1741 -0.2845 0.1401 110 GLU B O 3649 C CB . GLU B 115 ? 1.7004 1.5656 2.1117 -0.1667 -0.2523 0.1549 110 GLU B CB 3650 C CG . GLU B 115 ? 1.6751 1.5412 2.1129 -0.1836 -0.2619 0.1656 110 GLU B CG 3651 C CD . GLU B 115 ? 1.7025 1.6034 2.1579 -0.1900 -0.2523 0.1802 110 GLU B CD 3652 O OE1 . GLU B 115 ? 1.6910 1.5998 2.1645 -0.1986 -0.2478 0.1981 110 GLU B OE1 3653 O OE2 . GLU B 115 ? 1.7091 1.6295 2.1601 -0.1862 -0.2489 0.1741 110 GLU B OE2 3654 N N . LEU B 116 ? 1.8725 1.6725 2.2666 -0.1566 -0.2627 0.1479 111 LEU B N 3655 C CA . LEU B 116 ? 1.8956 1.6683 2.2957 -0.1601 -0.2698 0.1541 111 LEU B CA 3656 C C . LEU B 116 ? 1.9276 1.7008 2.3538 -0.1779 -0.2760 0.1702 111 LEU B C 3657 O O . LEU B 116 ? 1.8720 1.6731 2.3121 -0.1851 -0.2684 0.1831 111 LEU B O 3658 C CB . LEU B 116 ? 1.8876 1.6629 2.2798 -0.1504 -0.2585 0.1623 111 LEU B CB 3659 C CG . LEU B 116 ? 1.8690 1.6256 2.2401 -0.1345 -0.2585 0.1478 111 LEU B CG 3660 C CD1 . LEU B 116 ? 1.9840 1.7189 2.3578 -0.1328 -0.2606 0.1573 111 LEU B CD1 3661 C CD2 . LEU B 116 ? 1.8554 1.5920 2.2146 -0.1305 -0.2695 0.1262 111 LEU B CD2 3662 N N . PRO B 117 ? 2.0765 1.8185 2.5097 -0.1850 -0.2897 0.1694 112 PRO B N 3663 C CA . PRO B 117 ? 2.0480 1.7878 2.5071 -0.2036 -0.2985 0.1819 112 PRO B CA 3664 C C . PRO B 117 ? 2.0323 1.7889 2.5108 -0.2130 -0.2891 0.2067 112 PRO B C 3665 O O . PRO B 117 ? 1.8983 1.6774 2.3969 -0.2251 -0.2877 0.2173 112 PRO B O 3666 C CB . PRO B 117 ? 2.0391 1.7367 2.4966 -0.2062 -0.3145 0.1739 112 PRO B CB 3667 C CG . PRO B 117 ? 2.0887 1.7690 2.5226 -0.1887 -0.3105 0.1639 112 PRO B CG 3668 C CD . PRO B 117 ? 2.1091 1.8158 2.5263 -0.1759 -0.2986 0.1548 112 PRO B CD 3669 N N . HIS B 118 ? 2.3395 2.0822 2.8139 -0.2090 -0.2850 0.2162 113 HIS B N 3670 C CA . HIS B 118 ? 2.3062 2.0526 2.8003 -0.2210 -0.2813 0.2396 113 HIS B CA 3671 C C . HIS B 118 ? 2.2696 2.0399 2.7579 -0.2139 -0.2638 0.2533 113 HIS B C 3672 O O . HIS B 118 ? 2.2244 1.9889 2.7185 -0.2176 -0.2601 0.2703 113 HIS B O 3673 C CB . HIS B 118 ? 2.3016 2.0102 2.7955 -0.2225 -0.2904 0.2433 113 HIS B CB 3674 C CG . HIS B 118 ? 2.3018 1.9790 2.8012 -0.2302 -0.3090 0.2314 113 HIS B CG 3675 N ND1 . HIS B 118 ? 2.3048 1.9485 2.7865 -0.2197 -0.3185 0.2141 113 HIS B ND1 3676 C CD2 . HIS B 118 ? 2.2992 1.9732 2.8197 -0.2472 -0.3202 0.2337 113 HIS B CD2 3677 C CE1 . HIS B 118 ? 2.3240 1.9437 2.8139 -0.2298 -0.3349 0.2059 113 HIS B CE1 3678 N NE2 . HIS B 118 ? 2.3267 1.9643 2.8406 -0.2469 -0.3367 0.2176 113 HIS B NE2 3679 N N . GLY B 119 ? 1.7925 1.5891 2.2686 -0.2039 -0.2533 0.2463 114 GLY B N 3680 C CA . GLY B 119 ? 1.8090 1.6341 2.2822 -0.1996 -0.2366 0.2594 114 GLY B CA 3681 C C . GLY B 119 ? 1.7690 1.6215 2.2647 -0.2131 -0.2313 0.2741 114 GLY B C 3682 O O . GLY B 119 ? 1.7361 1.5841 2.2511 -0.2264 -0.2412 0.2757 114 GLY B O 3683 N N . TRP B 120 ? 2.4473 2.3291 2.9410 -0.2097 -0.2158 0.2846 115 TRP B N 3684 C CA . TRP B 120 ? 2.4334 2.3419 2.9495 -0.2220 -0.2096 0.2999 115 TRP B CA 3685 C C . TRP B 120 ? 2.4646 2.4010 2.9766 -0.2162 -0.2035 0.2896 115 TRP B C 3686 O O . TRP B 120 ? 2.4496 2.3788 2.9559 -0.2131 -0.2125 0.2720 115 TRP B O 3687 C CB . TRP B 120 ? 2.4397 2.3612 2.9585 -0.2236 -0.1961 0.3217 115 TRP B CB 3688 C CG . TRP B 120 ? 2.5110 2.4248 3.0053 -0.2093 -0.1893 0.3206 115 TRP B CG 3689 C CD1 . TRP B 120 ? 2.5360 2.4724 3.0162 -0.1996 -0.1745 0.3243 115 TRP B CD1 3690 C CD2 . TRP B 120 ? 2.5130 2.3943 2.9942 -0.2029 -0.1976 0.3149 115 TRP B CD2 3691 N NE1 . TRP B 120 ? 2.5728 2.4936 3.0327 -0.1880 -0.1737 0.3216 115 TRP B NE1 3692 C CE2 . TRP B 120 ? 2.5459 2.4333 3.0065 -0.1895 -0.1876 0.3160 115 TRP B CE2 3693 C CE3 . TRP B 120 ? 2.4768 2.3241 2.9620 -0.2070 -0.2130 0.3089 115 TRP B CE3 3694 C CZ2 . TRP B 120 ? 2.4821 2.3445 2.9275 -0.1799 -0.1923 0.3117 115 TRP B CZ2 3695 C CZ3 . TRP B 120 ? 2.4739 2.2953 2.9431 -0.1970 -0.2170 0.3044 115 TRP B CZ3 3696 C CH2 . TRP B 120 ? 2.4764 2.3062 2.9266 -0.1834 -0.2068 0.3060 115 TRP B CH2 3697 N N . LYS B 121 ? 1.7880 1.7548 2.3013 -0.2142 -0.1883 0.3002 116 LYS B N 3698 C CA . LYS B 121 ? 1.7532 1.7454 2.2625 -0.2083 -0.1822 0.2911 116 LYS B CA 3699 C C . LYS B 121 ? 1.7561 1.7663 2.2462 -0.1955 -0.1663 0.2924 116 LYS B C 3700 O O . LYS B 121 ? 1.6770 1.6855 2.1468 -0.1834 -0.1651 0.2772 116 LYS B O 3701 C CB . LYS B 121 ? 1.7057 1.7224 2.2421 -0.2207 -0.1809 0.3012 116 LYS B CB 3702 C CG . LYS B 121 ? 1.7251 1.7268 2.2856 -0.2366 -0.1955 0.3055 116 LYS B CG 3703 C CD . LYS B 121 ? 1.7839 1.8136 2.3742 -0.2496 -0.1903 0.3223 116 LYS B CD 3704 C CE . LYS B 121 ? 1.7780 1.7932 2.3936 -0.2669 -0.2006 0.3344 116 LYS B CE 3705 N NZ . LYS B 121 ? 1.7653 1.8013 2.4116 -0.2803 -0.2053 0.3394 116 LYS B NZ 3706 N N . ALA B 122 ? 2.1746 2.2020 2.6710 -0.1985 -0.1541 0.3106 117 ALA B N 3707 C CA . ALA B 122 ? 2.1166 2.1665 2.5979 -0.1882 -0.1382 0.3132 117 ALA B CA 3708 C C . ALA B 122 ? 2.1843 2.2193 2.6409 -0.1767 -0.1354 0.3100 117 ALA B C 3709 O O . ALA B 122 ? 2.1774 2.1860 2.6310 -0.1774 -0.1444 0.3094 117 ALA B O 3710 C CB . ALA B 122 ? 2.0119 2.0862 2.5086 -0.1954 -0.1259 0.3337 117 ALA B CB 3711 N N . TRP B 123 ? 2.0161 2.0679 2.4555 -0.1660 -0.1233 0.3080 118 TRP B N 3712 C CA . TRP B 123 ? 2.0679 2.1085 2.4834 -0.1540 -0.1214 0.3020 118 TRP B CA 3713 C C . TRP B 123 ? 2.0694 2.1150 2.4773 -0.1521 -0.1115 0.3184 118 TRP B C 3714 O O . TRP B 123 ? 2.0766 2.1142 2.4654 -0.1423 -0.1102 0.3147 118 TRP B O 3715 C CB . TRP B 123 ? 2.0306 2.0833 2.4290 -0.1424 -0.1162 0.2861 118 TRP B CB 3716 C CG . TRP B 123 ? 1.9332 1.9696 2.3249 -0.1378 -0.1269 0.2664 118 TRP B CG 3717 C CD1 . TRP B 123 ? 1.8140 1.8575 2.2071 -0.1371 -0.1293 0.2537 118 TRP B CD1 3718 C CD2 . TRP B 123 ? 1.7688 1.7790 2.1504 -0.1327 -0.1362 0.2573 118 TRP B CD2 3719 N NE1 . TRP B 123 ? 1.7165 1.7399 2.1000 -0.1321 -0.1391 0.2374 118 TRP B NE1 3720 C CE2 . TRP B 123 ? 1.7095 1.7126 2.0864 -0.1291 -0.1432 0.2390 118 TRP B CE2 3721 C CE3 . TRP B 123 ? 1.7539 1.7459 2.1298 -0.1302 -0.1391 0.2630 118 TRP B CE3 3722 C CZ2 . TRP B 123 ? 1.6726 1.6521 2.0394 -0.1231 -0.1522 0.2261 118 TRP B CZ2 3723 C CZ3 . TRP B 123 ? 1.7436 1.7121 2.1108 -0.1240 -0.1486 0.2501 118 TRP B CZ3 3724 C CH2 . TRP B 123 ? 1.6920 1.6547 2.0548 -0.1204 -0.1547 0.2317 118 TRP B CH2 3725 N N . GLY B 124 ? 3.0008 3.0602 3.4235 -0.1613 -0.1046 0.3366 119 GLY B N 3726 C CA . GLY B 124 ? 2.9893 3.0568 3.4028 -0.1590 -0.0935 0.3524 119 GLY B CA 3727 C C . GLY B 124 ? 3.0477 3.0968 3.4672 -0.1661 -0.0975 0.3687 119 GLY B C 3728 O O . GLY B 124 ? 3.0547 3.1136 3.4733 -0.1686 -0.0877 0.3864 119 GLY B O 3729 N N . LYS B 125 ? 2.7279 2.7493 3.1520 -0.1690 -0.1117 0.3629 120 LYS B N 3730 C CA . LYS B 125 ? 2.7437 2.7440 3.1751 -0.1765 -0.1171 0.3779 120 LYS B CA 3731 C C . LYS B 125 ? 2.7796 2.7703 3.1902 -0.1672 -0.1139 0.3847 120 LYS B C 3732 O O . LYS B 125 ? 2.7291 2.7192 3.1196 -0.1542 -0.1134 0.3722 120 LYS B O 3733 C CB . LYS B 125 ? 2.6973 2.6689 3.1388 -0.1814 -0.1339 0.3680 120 LYS B CB 3734 C CG . LYS B 125 ? 2.7042 2.6767 3.1736 -0.1975 -0.1394 0.3743 120 LYS B CG 3735 C CD . LYS B 125 ? 2.6596 2.6599 3.1383 -0.1994 -0.1344 0.3672 120 LYS B CD 3736 C CE . LYS B 125 ? 2.5885 2.5888 3.0959 -0.2152 -0.1424 0.3714 120 LYS B CE 3737 N NZ . LYS B 125 ? 2.5474 2.5725 3.0637 -0.2158 -0.1399 0.3624 120 LYS B NZ 3738 N N . SER B 126 ? 2.2901 2.2735 2.7061 -0.1744 -0.1120 0.4051 121 SER B N 3739 C CA . SER B 126 ? 2.2383 2.2120 2.6354 -0.1667 -0.1094 0.4147 121 SER B CA 3740 C C . SER B 126 ? 2.2458 2.1933 2.6525 -0.1754 -0.1170 0.4302 121 SER B C 3741 O O . SER B 126 ? 2.1811 2.1170 2.6091 -0.1874 -0.1249 0.4321 121 SER B O 3742 C CB . SER B 126 ? 2.1570 2.1576 2.5432 -0.1639 -0.0930 0.4275 121 SER B CB 3743 O OG . SER B 126 ? 2.1970 2.2231 2.5793 -0.1589 -0.0851 0.4154 121 SER B OG 3744 N N . TYR B 127 ? 2.9445 2.8821 3.3350 -0.1691 -0.1152 0.4412 122 TYR B N 3745 C CA . TYR B 127 ? 2.9364 2.8501 3.3329 -0.1764 -0.1204 0.4594 122 TYR B CA 3746 C C . TYR B 127 ? 2.9446 2.8241 3.3505 -0.1788 -0.1374 0.4501 122 TYR B C 3747 O O . TYR B 127 ? 2.9522 2.8089 3.3668 -0.1868 -0.1433 0.4641 122 TYR B O 3748 C CB . TYR B 127 ? 2.9143 2.8410 3.3300 -0.1923 -0.1120 0.4806 122 TYR B CB 3749 C CG . TYR B 127 ? 2.8668 2.8287 3.2757 -0.1907 -0.0944 0.4889 122 TYR B CG 3750 C CD1 . TYR B 127 ? 2.7834 2.7548 3.1656 -0.1776 -0.0864 0.4899 122 TYR B CD1 3751 C CD2 . TYR B 127 ? 2.8046 2.7902 3.2339 -0.2020 -0.0861 0.4953 122 TYR B CD2 3752 C CE1 . TYR B 127 ? 2.5934 2.5954 2.9679 -0.1757 -0.0705 0.4966 122 TYR B CE1 3753 C CE2 . TYR B 127 ? 2.6890 2.7062 3.1118 -0.1996 -0.0696 0.5024 122 TYR B CE2 3754 C CZ . TYR B 127 ? 2.5977 2.6222 2.9923 -0.1863 -0.0617 0.5028 122 TYR B CZ 3755 O OH . TYR B 127 ? 2.5204 2.5749 2.9070 -0.1834 -0.0453 0.5090 122 TYR B OH 3756 N N . PHE B 128 ? 2.6719 2.5473 3.0753 -0.1717 -0.1449 0.4268 123 PHE B N 3757 C CA . PHE B 128 ? 2.6422 2.4858 3.0525 -0.1724 -0.1607 0.4153 123 PHE B CA 3758 C C . PHE B 128 ? 2.6488 2.4702 3.0407 -0.1581 -0.1673 0.4097 123 PHE B C 3759 O O . PHE B 128 ? 2.6394 2.4724 3.0131 -0.1471 -0.1603 0.4123 123 PHE B O 3760 C CB . PHE B 128 ? 2.5849 2.4342 3.0014 -0.1720 -0.1656 0.3929 123 PHE B CB 3761 C CG . PHE B 128 ? 2.6681 2.5348 3.0661 -0.1572 -0.1604 0.3757 123 PHE B CG 3762 C CD1 . PHE B 128 ? 2.6597 2.5596 3.0543 -0.1563 -0.1475 0.3765 123 PHE B CD1 3763 C CD2 . PHE B 128 ? 2.6026 2.4524 2.9874 -0.1444 -0.1682 0.3588 123 PHE B CD2 3764 C CE1 . PHE B 128 ? 2.5596 2.4741 2.9376 -0.1436 -0.1430 0.3609 123 PHE B CE1 3765 C CE2 . PHE B 128 ? 2.5226 2.3889 2.8919 -0.1318 -0.1632 0.3436 123 PHE B CE2 3766 C CZ . PHE B 128 ? 2.5091 2.4071 2.8749 -0.1318 -0.1509 0.3448 123 PHE B CZ 3767 N N . VAL B 129 ? 2.5408 2.3305 2.9377 -0.1578 -0.1811 0.4016 124 VAL B N 3768 C CA . VAL B 129 ? 2.5528 2.3206 2.9345 -0.1435 -0.1884 0.3948 124 VAL B CA 3769 C C . VAL B 129 ? 2.5173 2.2909 2.8888 -0.1304 -0.1906 0.3694 124 VAL B C 3770 O O . VAL B 129 ? 2.4696 2.2437 2.8491 -0.1340 -0.1946 0.3543 124 VAL B O 3771 C CB . VAL B 129 ? 2.4801 2.2084 2.8709 -0.1480 -0.2022 0.3981 124 VAL B CB 3772 C CG1 . VAL B 129 ? 2.4995 2.2067 2.8749 -0.1317 -0.2089 0.3918 124 VAL B CG1 3773 C CG2 . VAL B 129 ? 2.4061 2.1273 2.8088 -0.1626 -0.2001 0.4239 124 VAL B CG2 3774 N N . ARG B 130 ? 2.2701 2.0487 2.6238 -0.1155 -0.1880 0.3653 125 ARG B N 3775 C CA . ARG B 130 ? 2.2444 2.0275 2.5883 -0.1025 -0.1899 0.3423 125 ARG B CA 3776 C C . ARG B 130 ? 2.1887 1.9394 2.5360 -0.0979 -0.2035 0.3291 125 ARG B C 3777 O O . ARG B 130 ? 2.2359 1.9593 2.5863 -0.0987 -0.2113 0.3384 125 ARG B O 3778 C CB . ARG B 130 ? 2.2343 2.0319 2.5600 -0.0884 -0.1841 0.3424 125 ARG B CB 3779 C CG . ARG B 130 ? 2.2612 2.0637 2.5807 -0.0901 -0.1783 0.3654 125 ARG B CG 3780 C CD . ARG B 130 ? 2.3257 2.0994 2.6418 -0.0840 -0.1875 0.3738 125 ARG B CD 3781 N NE . ARG B 130 ? 2.3940 2.1762 2.6969 -0.0795 -0.1820 0.3910 125 ARG B NE 3782 C CZ . ARG B 130 ? 2.4405 2.2028 2.7365 -0.0718 -0.1886 0.3998 125 ARG B CZ 3783 N NH1 . ARG B 130 ? 2.4166 2.1490 2.7184 -0.0674 -0.2006 0.3928 125 ARG B NH1 3784 N NH2 . ARG B 130 ? 2.4444 2.2162 2.7270 -0.0680 -0.1835 0.4155 125 ARG B NH2 3785 N N . ALA B 131 ? 1.9048 1.6579 2.2506 -0.0928 -0.2060 0.3074 126 ALA B N 3786 C CA . ALA B 131 ? 1.9172 1.6411 2.2643 -0.0874 -0.2179 0.2923 126 ALA B CA 3787 C C . ALA B 131 ? 1.8427 1.5546 2.1779 -0.0708 -0.2211 0.2882 126 ALA B C 3788 O O . ALA B 131 ? 1.8134 1.5429 2.1387 -0.0631 -0.2143 0.2943 126 ALA B O 3789 C CB . ALA B 131 ? 1.9527 1.6846 2.2996 -0.0864 -0.2185 0.2708 126 ALA B CB 3790 N N . ALA B 132 ? 1.8912 1.5733 2.2277 -0.0650 -0.2320 0.2775 127 ALA B N 3791 C CA . ALA B 132 ? 1.9961 1.6656 2.3236 -0.0484 -0.2360 0.2721 127 ALA B CA 3792 C C . ALA B 132 ? 1.9560 1.6402 2.2749 -0.0355 -0.2329 0.2501 127 ALA B C 3793 O O . ALA B 132 ? 1.9780 1.6707 2.2982 -0.0395 -0.2312 0.2365 127 ALA B O 3794 C CB . ALA B 132 ? 1.9622 1.5913 2.2951 -0.0473 -0.2487 0.2716 127 ALA B CB 3795 N N . LYS B 133 ? 1.8809 1.5685 2.1914 -0.0203 -0.2322 0.2471 128 LYS B N 3796 C CA . LYS B 133 ? 1.8840 1.5862 2.1874 -0.0077 -0.2289 0.2273 128 LYS B CA 3797 C C . LYS B 133 ? 1.8745 1.5521 2.1794 -0.0019 -0.2369 0.2088 128 LYS B C 3798 O O . LYS B 133 ? 1.8679 1.5149 2.1787 -0.0060 -0.2461 0.2113 128 LYS B O 3799 C CB . LYS B 133 ? 1.8282 1.5416 2.1241 0.0065 -0.2266 0.2303 128 LYS B CB 3800 C CG . LYS B 133 ? 1.7698 1.5132 2.0604 0.0028 -0.2172 0.2432 128 LYS B CG 3801 C CD . LYS B 133 ? 1.7733 1.5244 2.0568 0.0160 -0.2173 0.2482 128 LYS B CD 3802 C CE . LYS B 133 ? 1.8566 1.6365 2.1328 0.0120 -0.2083 0.2602 128 LYS B CE 3803 N NZ . LYS B 133 ? 1.8884 1.6741 2.1573 0.0236 -0.2099 0.2675 128 LYS B NZ 3804 N N . THR B 134 ? 2.0796 1.7702 2.3787 0.0076 -0.2331 0.1901 129 THR B N 3805 C CA . THR B 134 ? 2.0845 1.7550 2.3826 0.0137 -0.2390 0.1708 129 THR B CA 3806 C C . THR B 134 ? 2.0709 1.7556 2.3621 0.0299 -0.2343 0.1547 129 THR B C 3807 O O . THR B 134 ? 2.0540 1.7690 2.3413 0.0320 -0.2253 0.1548 129 THR B O 3808 C CB . THR B 134 ? 2.1476 1.8188 2.4475 0.0014 -0.2390 0.1624 129 THR B CB 3809 O OG1 . THR B 134 ? 2.1538 1.8187 2.4624 -0.0150 -0.2417 0.1786 129 THR B OG1 3810 C CG2 . THR B 134 ? 2.1781 1.8227 2.4758 0.0067 -0.2469 0.1440 129 THR B CG2 3811 N N . ASN B 135 ? 2.6407 2.3034 2.9306 0.0414 -0.2403 0.1410 130 ASN B N 3812 C CA . ASN B 135 ? 2.6524 2.3276 2.9368 0.0562 -0.2355 0.1238 130 ASN B CA 3813 C C . ASN B 135 ? 2.5853 2.2837 2.8645 0.0509 -0.2272 0.1124 130 ASN B C 3814 O O . ASN B 135 ? 2.5608 2.2849 2.8362 0.0578 -0.2189 0.1059 130 ASN B O 3815 C CB . ASN B 135 ? 2.6472 2.2923 2.9307 0.0679 -0.2431 0.1097 130 ASN B CB 3816 C CG . ASN B 135 ? 2.7144 2.3421 3.0021 0.0790 -0.2494 0.1180 130 ASN B CG 3817 O OD1 . ASN B 135 ? 2.7249 2.3554 3.0163 0.0748 -0.2506 0.1366 130 ASN B OD1 3818 N ND2 . ASN B 135 ? 2.7612 2.3709 3.0477 0.0940 -0.2533 0.1043 130 ASN B ND2 3819 N N . ASN B 136 ? 2.0467 1.7355 2.3262 0.0383 -0.2300 0.1103 131 ASN B N 3820 C CA . ASN B 136 ? 1.9828 1.6925 2.2578 0.0314 -0.2231 0.1023 131 ASN B CA 3821 C C . ASN B 136 ? 1.9835 1.7225 2.2603 0.0224 -0.2150 0.1163 131 ASN B C 3822 O O . ASN B 136 ? 1.9337 1.6700 2.2167 0.0109 -0.2172 0.1320 131 ASN B O 3823 C CB . ASN B 136 ? 2.0284 1.7185 2.3039 0.0207 -0.2299 0.0966 131 ASN B CB 3824 C CG . ASN B 136 ? 2.1176 1.7990 2.3841 0.0286 -0.2307 0.0749 131 ASN B CG 3825 O OD1 . ASN B 136 ? 2.0966 1.7767 2.3582 0.0434 -0.2285 0.0643 131 ASN B OD1 3826 N ND2 . ASN B 136 ? 2.1910 1.8671 2.4551 0.0190 -0.2337 0.0682 131 ASN B ND2 3827 N N . SER B 137 ? 1.8155 1.5822 2.0869 0.0277 -0.2055 0.1106 132 SER B N 3828 C CA . SER B 137 ? 1.7342 1.5289 2.0055 0.0207 -0.1973 0.1220 132 SER B CA 3829 C C . SER B 137 ? 1.6367 1.4520 1.9025 0.0166 -0.1896 0.1122 132 SER B C 3830 O O . SER B 137 ? 1.6249 1.4468 1.8848 0.0250 -0.1858 0.0973 132 SER B O 3831 C CB . SER B 137 ? 1.6376 1.4478 1.9076 0.0305 -0.1934 0.1274 132 SER B CB 3832 O OG . SER B 137 ? 1.5764 1.3684 1.8510 0.0340 -0.2006 0.1386 132 SER B OG 3833 N N . PHE B 138 ? 1.5313 1.3566 1.7995 0.0037 -0.1870 0.1210 133 PHE B N 3834 C CA . PHE B 138 ? 1.4249 1.2711 1.6883 -0.0005 -0.1794 0.1143 133 PHE B CA 3835 C C . PHE B 138 ? 1.4083 1.2822 1.6685 0.0008 -0.1699 0.1212 133 PHE B C 3836 O O . PHE B 138 ? 1.4116 1.2944 1.6751 -0.0064 -0.1677 0.1361 133 PHE B O 3837 C CB . PHE B 138 ? 1.3649 1.2079 1.6335 -0.0144 -0.1820 0.1193 133 PHE B CB 3838 C CG . PHE B 138 ? 1.2400 1.0968 1.5030 -0.0174 -0.1771 0.1089 133 PHE B CG 3839 C CD1 . PHE B 138 ? 1.3230 1.1682 1.5799 -0.0132 -0.1804 0.0924 133 PHE B CD1 3840 C CD2 . PHE B 138 ? 1.2568 1.1374 1.5200 -0.0239 -0.1692 0.1159 133 PHE B CD2 3841 C CE1 . PHE B 138 ? 1.2327 1.0898 1.4834 -0.0158 -0.1761 0.0836 133 PHE B CE1 3842 C CE2 . PHE B 138 ? 1.2079 1.1002 1.4659 -0.0262 -0.1650 0.1068 133 PHE B CE2 3843 C CZ . PHE B 138 ? 1.2189 1.0994 1.4706 -0.0223 -0.1686 0.0910 133 PHE B CZ 3844 N N . VAL B 139 ? 1.5879 1.4752 1.8417 0.0100 -0.1642 0.1102 134 VAL B N 3845 C CA . VAL B 139 ? 1.5037 1.4147 1.7543 0.0132 -0.1567 0.1151 134 VAL B CA 3846 C C . VAL B 139 ? 1.4304 1.3631 1.6769 0.0057 -0.1483 0.1161 134 VAL B C 3847 O O . VAL B 139 ? 1.4472 1.3811 1.6910 0.0024 -0.1464 0.1070 134 VAL B O 3848 C CB . VAL B 139 ? 1.5539 1.4706 1.8015 0.0262 -0.1547 0.1033 134 VAL B CB 3849 C CG1 . VAL B 139 ? 1.5169 1.4585 1.7583 0.0268 -0.1450 0.0964 134 VAL B CG1 3850 C CG2 . VAL B 139 ? 1.5400 1.4547 1.7910 0.0335 -0.1583 0.1118 134 VAL B CG2 3851 N N . VAL B 140 ? 1.2655 1.2145 1.5108 0.0034 -0.1436 0.1274 135 VAL B N 3852 C CA . VAL B 140 ? 1.2473 1.2172 1.4880 -0.0023 -0.1351 0.1288 135 VAL B CA 3853 C C . VAL B 140 ? 1.2322 1.2209 1.4671 0.0035 -0.1294 0.1295 135 VAL B C 3854 O O . VAL B 140 ? 1.2934 1.2874 1.5276 0.0027 -0.1291 0.1418 135 VAL B O 3855 C CB . VAL B 140 ? 1.2049 1.1762 1.4498 -0.0132 -0.1344 0.1434 135 VAL B CB 3856 C CG1 . VAL B 140 ? 1.1688 1.1623 1.4087 -0.0175 -0.1252 0.1446 135 VAL B CG1 3857 C CG2 . VAL B 140 ? 1.2125 1.1664 1.4647 -0.0200 -0.1409 0.1424 135 VAL B CG2 3858 N N . ASP B 141 ? 1.1873 1.1856 1.4178 0.0091 -0.1252 0.1165 136 ASP B N 3859 C CA . ASP B 141 ? 1.2513 1.2675 1.4772 0.0144 -0.1206 0.1150 136 ASP B CA 3860 C C . ASP B 141 ? 1.2788 1.2911 1.5077 0.0215 -0.1262 0.1213 136 ASP B C 3861 O O . ASP B 141 ? 1.3382 1.3327 1.5726 0.0253 -0.1332 0.1217 136 ASP B O 3862 C CB . ASP B 141 ? 1.2583 1.2915 1.4785 0.0079 -0.1137 0.1224 136 ASP B CB 3863 C CG . ASP B 141 ? 1.1619 1.1989 1.3797 0.0012 -0.1086 0.1177 136 ASP B CG 3864 O OD1 . ASP B 141 ? 1.1138 1.1492 1.3304 0.0033 -0.1073 0.1051 136 ASP B OD1 3865 O OD2 . ASP B 141 ? 1.0529 1.0947 1.2701 -0.0059 -0.1058 0.1269 136 ASP B OD2 3866 N N . GLY B 142 ? 1.3026 1.3308 1.5273 0.0235 -0.1235 0.1258 137 GLY B N 3867 C CA . GLY B 142 ? 1.3449 1.3711 1.5710 0.0294 -0.1290 0.1342 137 GLY B CA 3868 C C . GLY B 142 ? 1.4429 1.4645 1.6749 0.0404 -0.1341 0.1263 137 GLY B C 3869 O O . GLY B 142 ? 1.5111 1.5168 1.7480 0.0447 -0.1414 0.1316 137 GLY B O 3870 N N . ASP B 143 ? 1.5776 1.6132 1.8097 0.0451 -0.1300 0.1141 138 ASP B N 3871 C CA . ASP B 143 ? 1.6413 1.6784 1.8802 0.0562 -0.1335 0.1065 138 ASP B CA 3872 C C . ASP B 143 ? 1.6291 1.6441 1.8745 0.0619 -0.1393 0.1027 138 ASP B C 3873 O O . ASP B 143 ? 1.5825 1.5876 1.8329 0.0688 -0.1465 0.1081 138 ASP B O 3874 C CB . ASP B 143 ? 1.6381 1.6839 1.8772 0.0611 -0.1381 0.1157 138 ASP B CB 3875 C CG . ASP B 143 ? 1.6708 1.7230 1.9184 0.0728 -0.1413 0.1080 138 ASP B CG 3876 O OD1 . ASP B 143 ? 1.6439 1.7014 1.8958 0.0760 -0.1371 0.0946 138 ASP B OD1 3877 O OD2 . ASP B 143 ? 1.6286 1.6811 1.8788 0.0790 -0.1480 0.1156 138 ASP B OD2 3878 N N . THR B 144 ? 1.3109 1.3173 1.5556 0.0592 -0.1366 0.0932 139 THR B N 3879 C CA . THR B 144 ? 1.2322 1.2154 1.4811 0.0637 -0.1422 0.0886 139 THR B CA 3880 C C . THR B 144 ? 1.2434 1.2258 1.4913 0.0670 -0.1378 0.0722 139 THR B C 3881 O O . THR B 144 ? 1.2172 1.1798 1.4649 0.0677 -0.1411 0.0668 139 THR B O 3882 C CB . THR B 144 ? 1.2554 1.2196 1.5030 0.0545 -0.1464 0.0976 139 THR B CB 3883 O OG1 . THR B 144 ? 1.2870 1.2608 1.5290 0.0439 -0.1402 0.0984 139 THR B OG1 3884 C CG2 . THR B 144 ? 1.2752 1.2336 1.5247 0.0534 -0.1521 0.1141 139 THR B CG2 3885 N N . LEU B 145 ? 1.3843 1.3877 1.6309 0.0688 -0.1303 0.0644 140 LEU B N 3886 C CA . LEU B 145 ? 1.3889 1.3936 1.6336 0.0721 -0.1249 0.0494 140 LEU B CA 3887 C C . LEU B 145 ? 1.3748 1.3679 1.6257 0.0845 -0.1285 0.0413 140 LEU B C 3888 O O . LEU B 145 ? 1.2849 1.2678 1.5326 0.0875 -0.1267 0.0301 140 LEU B O 3889 C CB . LEU B 145 ? 1.3849 1.4151 1.6283 0.0714 -0.1161 0.0441 140 LEU B CB 3890 C CG . LEU B 145 ? 1.3883 1.4290 1.6237 0.0600 -0.1105 0.0480 140 LEU B CG 3891 C CD1 . LEU B 145 ? 1.4539 1.5167 1.6882 0.0600 -0.1021 0.0410 140 LEU B CD1 3892 C CD2 . LEU B 145 ? 1.3466 1.3728 1.5752 0.0534 -0.1101 0.0455 140 LEU B CD2 3893 N N . LYS B 146 ? 1.5297 1.5237 1.7885 0.0921 -0.1338 0.0471 141 LYS B N 3894 C CA . LYS B 146 ? 1.4969 1.4808 1.7629 0.1053 -0.1376 0.0403 141 LYS B CA 3895 C C . LYS B 146 ? 1.5579 1.5112 1.8213 0.1062 -0.1440 0.0384 141 LYS B C 3896 O O . LYS B 146 ? 1.5366 1.4794 1.8005 0.1148 -0.1436 0.0267 141 LYS B O 3897 C CB . LYS B 146 ? 1.4878 1.4784 1.7628 0.1128 -0.1433 0.0489 141 LYS B CB 3898 C CG . LYS B 146 ? 1.5150 1.5352 1.7955 0.1160 -0.1381 0.0464 141 LYS B CG 3899 C CD . LYS B 146 ? 1.4936 1.5227 1.7792 0.1245 -0.1315 0.0312 141 LYS B CD 3900 C CE . LYS B 146 ? 1.5374 1.5969 1.8299 0.1261 -0.1260 0.0286 141 LYS B CE 3901 N NZ . LYS B 146 ? 1.5247 1.5941 1.8231 0.1340 -0.1185 0.0145 141 LYS B NZ 3902 N N . GLU B 147 ? 1.4405 1.3795 1.7010 0.0971 -0.1496 0.0497 142 GLU B N 3903 C CA . GLU B 147 ? 1.3930 1.3021 1.6519 0.0962 -0.1568 0.0490 142 GLU B CA 3904 C C . GLU B 147 ? 1.4167 1.3195 1.6672 0.0861 -0.1541 0.0434 142 GLU B C 3905 O O . GLU B 147 ? 1.3589 1.2375 1.6072 0.0843 -0.1600 0.0406 142 GLU B O 3906 C CB . GLU B 147 ? 1.4134 1.3085 1.6758 0.0921 -0.1653 0.0651 142 GLU B CB 3907 C CG . GLU B 147 ? 1.4214 1.3270 1.6805 0.0784 -0.1632 0.0781 142 GLU B CG 3908 C CD . GLU B 147 ? 1.4714 1.3588 1.7330 0.0731 -0.1712 0.0936 142 GLU B CD 3909 O OE1 . GLU B 147 ? 1.4585 1.3196 1.7220 0.0736 -0.1782 0.0922 142 GLU B OE1 3910 O OE2 . GLU B 147 ? 1.4251 1.3239 1.6864 0.0683 -0.1706 0.1071 142 GLU B OE2 3911 N N . CYS B 148 ? 1.6858 1.6098 1.9315 0.0796 -0.1459 0.0417 143 CYS B N 3912 C CA . CYS B 148 ? 1.6135 1.5345 1.8511 0.0707 -0.1430 0.0364 143 CYS B CA 3913 C C . CYS B 148 ? 1.5531 1.4991 1.7858 0.0682 -0.1326 0.0314 143 CYS B C 3914 O O . CYS B 148 ? 1.5321 1.4940 1.7646 0.0610 -0.1293 0.0401 143 CYS B O 3915 C CB . CYS B 148 ? 1.6214 1.5336 1.8590 0.0582 -0.1478 0.0488 143 CYS B CB 3916 S SG . CYS B 148 ? 1.6598 1.5722 1.8890 0.0468 -0.1447 0.0439 143 CYS B SG 3917 N N . PRO B 149 ? 1.3954 1.3442 1.6237 0.0743 -0.1272 0.0174 144 PRO B N 3918 C CA . PRO B 149 ? 1.4302 1.4017 1.6541 0.0724 -0.1169 0.0123 144 PRO B CA 3919 C C . PRO B 149 ? 1.4261 1.4009 1.6421 0.0604 -0.1142 0.0153 144 PRO B C 3920 O O . PRO B 149 ? 1.3973 1.3558 1.6104 0.0544 -0.1198 0.0176 144 PRO B O 3921 C CB . PRO B 149 ? 1.4758 1.4439 1.6960 0.0817 -0.1126 -0.0029 144 PRO B CB 3922 C CG . PRO B 149 ? 1.4122 1.3523 1.6296 0.0843 -0.1208 -0.0068 144 PRO B CG 3923 C CD . PRO B 149 ? 1.3408 1.2702 1.5667 0.0830 -0.1300 0.0056 144 PRO B CD 3924 N N . LEU B 150 ? 1.2672 1.2633 1.4807 0.0571 -0.1059 0.0152 145 LEU B N 3925 C CA . LEU B 150 ? 1.0993 1.1013 1.3054 0.0469 -0.1022 0.0178 145 LEU B CA 3926 C C . LEU B 150 ? 1.0625 1.0494 1.2599 0.0445 -0.1036 0.0102 145 LEU B C 3927 O O . LEU B 150 ? 1.1353 1.1160 1.3303 0.0361 -0.1069 0.0154 145 LEU B O 3928 C CB . LEU B 150 ? 1.1091 1.1336 1.3126 0.0463 -0.0924 0.0147 145 LEU B CB 3929 C CG . LEU B 150 ? 1.0166 1.0552 1.2175 0.0374 -0.0884 0.0227 145 LEU B CG 3930 C CD1 . LEU B 150 ? 1.0045 1.0586 1.2000 0.0370 -0.0788 0.0155 145 LEU B CD1 3931 C CD2 . LEU B 150 ? 1.0603 1.0891 1.2570 0.0288 -0.0917 0.0284 145 LEU B CD2 3932 N N . LYS B 151 ? 1.2353 1.2166 1.4282 0.0522 -0.1013 -0.0020 146 LYS B N 3933 C CA . LYS B 151 ? 1.3025 1.2724 1.4839 0.0509 -0.1010 -0.0111 146 LYS B CA 3934 C C . LYS B 151 ? 1.2883 1.2329 1.4687 0.0500 -0.1116 -0.0119 146 LYS B C 3935 O O . LYS B 151 ? 1.3696 1.3014 1.5400 0.0506 -0.1132 -0.0210 146 LYS B O 3936 C CB . LYS B 151 ? 1.3854 1.3599 1.5610 0.0599 -0.0933 -0.0239 146 LYS B CB 3937 C CG . LYS B 151 ? 1.5214 1.5207 1.6988 0.0597 -0.0829 -0.0234 146 LYS B CG 3938 C CD . LYS B 151 ? 1.6471 1.6531 1.8230 0.0692 -0.0750 -0.0345 146 LYS B CD 3939 C CE . LYS B 151 ? 1.6251 1.6564 1.8061 0.0681 -0.0658 -0.0327 146 LYS B CE 3940 N NZ . LYS B 151 ? 1.5642 1.6045 1.7458 0.0766 -0.0572 -0.0427 146 LYS B NZ 3941 N N . HIS B 152 ? 1.1516 1.0887 1.3420 0.0481 -0.1191 -0.0022 147 HIS B N 3942 C CA . HIS B 152 ? 1.2176 1.1310 1.4089 0.0446 -0.1298 -0.0004 147 HIS B CA 3943 C C . HIS B 152 ? 1.2217 1.1381 1.4203 0.0335 -0.1338 0.0144 147 HIS B C 3944 O O . HIS B 152 ? 1.3351 1.2349 1.5397 0.0300 -0.1427 0.0203 147 HIS B O 3945 C CB . HIS B 152 ? 1.2593 1.1558 1.4561 0.0538 -0.1360 -0.0032 147 HIS B CB 3946 C CG . HIS B 152 ? 1.2849 1.1724 1.4737 0.0646 -0.1338 -0.0187 147 HIS B CG 3947 N ND1 . HIS B 152 ? 1.3548 1.2399 1.5304 0.0640 -0.1305 -0.0295 147 HIS B ND1 3948 C CD2 . HIS B 152 ? 1.2709 1.1515 1.4627 0.0769 -0.1341 -0.0253 147 HIS B CD2 3949 C CE1 . HIS B 152 ? 1.4372 1.3143 1.6072 0.0753 -0.1284 -0.0421 147 HIS B CE1 3950 N NE2 . HIS B 152 ? 1.4652 1.3398 1.6455 0.0835 -0.1303 -0.0400 147 HIS B NE2 3951 N N . ARG B 153 ? 1.0061 0.9434 1.2045 0.0281 -0.1268 0.0205 148 ARG B N 3952 C CA . ARG B 153 ? 1.0497 0.9931 1.2547 0.0186 -0.1286 0.0348 148 ARG B CA 3953 C C . ARG B 153 ? 1.0221 0.9728 1.2226 0.0096 -0.1262 0.0363 148 ARG B C 3954 O O . ARG B 153 ? 0.9615 0.9221 1.1535 0.0107 -0.1195 0.0290 148 ARG B O 3955 C CB . ARG B 153 ? 1.0887 1.0507 1.2981 0.0203 -0.1231 0.0430 148 ARG B CB 3956 C CG . ARG B 153 ? 1.1272 1.0837 1.3431 0.0283 -0.1266 0.0451 148 ARG B CG 3957 C CD . ARG B 153 ? 1.0787 1.0510 1.2991 0.0267 -0.1241 0.0571 148 ARG B CD 3958 N NE . ARG B 153 ? 1.1676 1.1381 1.3935 0.0354 -0.1270 0.0589 148 ARG B NE 3959 C CZ . ARG B 153 ? 1.1721 1.1530 1.4016 0.0356 -0.1269 0.0694 148 ARG B CZ 3960 N NH1 . ARG B 153 ? 1.1155 1.1087 1.3429 0.0276 -0.1234 0.0788 148 ARG B NH1 3961 N NH2 . ARG B 153 ? 1.2460 1.2248 1.4806 0.0442 -0.1304 0.0705 148 ARG B NH2 3962 N N . ALA B 154 ? 1.0950 1.0412 1.3022 0.0008 -0.1315 0.0464 149 ALA B N 3963 C CA . ALA B 154 ? 1.0435 0.9986 1.2494 -0.0077 -0.1296 0.0499 149 ALA B CA 3964 C C . ALA B 154 ? 1.0526 1.0304 1.2585 -0.0094 -0.1204 0.0572 149 ALA B C 3965 O O . ALA B 154 ? 1.0325 1.0171 1.2422 -0.0070 -0.1181 0.0638 149 ALA B O 3966 C CB . ALA B 154 ? 1.0242 0.9686 1.2394 -0.0166 -0.1382 0.0587 149 ALA B CB 3967 N N . TRP B 155 ? 0.9294 0.9180 1.1301 -0.0132 -0.1155 0.0558 150 TRP B N 3968 C CA . TRP B 155 ? 0.8823 0.8909 1.0811 -0.0142 -0.1065 0.0609 150 TRP B CA 3969 C C . TRP B 155 ? 0.7807 0.7969 0.9774 -0.0204 -0.1041 0.0628 150 TRP B C 3970 O O . TRP B 155 ? 0.8351 0.8454 1.0257 -0.0206 -0.1059 0.0547 150 TRP B O 3971 C CB . TRP B 155 ? 0.8254 0.8420 1.0163 -0.0069 -0.0994 0.0519 150 TRP B CB 3972 C CG . TRP B 155 ? 0.7840 0.8192 0.9710 -0.0082 -0.0905 0.0547 150 TRP B CG 3973 C CD1 . TRP B 155 ? 0.6761 0.7231 0.8656 -0.0076 -0.0869 0.0616 150 TRP B CD1 3974 C CD2 . TRP B 155 ? 0.7086 0.7514 0.8874 -0.0099 -0.0845 0.0502 150 TRP B CD2 3975 N NE1 . TRP B 155 ? 0.6413 0.7022 0.8247 -0.0092 -0.0791 0.0612 150 TRP B NE1 3976 C CE2 . TRP B 155 ? 0.6881 0.7464 0.8654 -0.0106 -0.0774 0.0545 150 TRP B CE2 3977 C CE3 . TRP B 155 ? 0.6847 0.7217 0.8565 -0.0109 -0.0850 0.0431 150 TRP B CE3 3978 C CZ2 . TRP B 155 ? 0.6576 0.7249 0.8273 -0.0121 -0.0705 0.0519 150 TRP B CZ2 3979 C CZ3 . TRP B 155 ? 0.6952 0.7418 0.8594 -0.0123 -0.0781 0.0412 150 TRP B CZ3 3980 C CH2 . TRP B 155 ? 0.6634 0.7246 0.8270 -0.0129 -0.0709 0.0456 150 TRP B CH2 3981 N N . ASN B 156 ? 0.7427 0.7720 0.9438 -0.0249 -0.1002 0.0734 151 ASN B N 3982 C CA . ASN B 156 ? 0.8304 0.8682 1.0316 -0.0302 -0.0977 0.0767 151 ASN B CA 3983 C C . ASN B 156 ? 0.8919 0.9187 1.0994 -0.0356 -0.1065 0.0773 151 ASN B C 3984 O O . ASN B 156 ? 0.8459 0.8712 1.0484 -0.0365 -0.1077 0.0711 151 ASN B O 3985 C CB . ASN B 156 ? 0.7287 0.7736 0.9181 -0.0271 -0.0908 0.0678 151 ASN B CB 3986 C CG . ASN B 156 ? 0.7517 0.8086 0.9408 -0.0311 -0.0862 0.0728 151 ASN B CG 3987 O OD1 . ASN B 156 ? 0.8619 0.9269 1.0589 -0.0349 -0.0850 0.0835 151 ASN B OD1 3988 N ND2 . ASN B 156 ? 0.7012 0.7593 0.8811 -0.0297 -0.0833 0.0655 151 ASN B ND2 3989 N N . SER B 157 ? 0.9578 0.9763 1.1761 -0.0394 -0.1132 0.0849 152 SER B N 3990 C CA . SER B 157 ? 0.9972 1.0031 1.2231 -0.0451 -0.1231 0.0851 152 SER B CA 3991 C C . SER B 157 ? 1.0242 1.0409 1.2614 -0.0534 -0.1232 0.0963 152 SER B C 3992 O O . SER B 157 ? 1.0211 1.0325 1.2640 -0.0587 -0.1304 0.0955 152 SER B O 3993 C CB . SER B 157 ? 1.0783 1.0672 1.3106 -0.0451 -0.1309 0.0872 152 SER B CB 3994 O OG . SER B 157 ? 1.0248 1.0055 1.2482 -0.0364 -0.1301 0.0776 152 SER B OG 3995 N N . PHE B 158 ? 1.0483 1.0806 1.2888 -0.0542 -0.1153 0.1064 153 PHE B N 3996 C CA . PHE B 158 ? 1.0486 1.0924 1.3015 -0.0616 -0.1143 0.1184 153 PHE B CA 3997 C C . PHE B 158 ? 0.9430 1.0036 1.1921 -0.0610 -0.1068 0.1179 153 PHE B C 3998 O O . PHE B 158 ? 0.9300 0.9965 1.1665 -0.0550 -0.0996 0.1118 153 PHE B O 3999 C CB . PHE B 158 ? 1.0207 1.0703 1.2804 -0.0633 -0.1105 0.1317 153 PHE B CB 4000 C CG . PHE B 158 ? 1.1565 1.1894 1.4236 -0.0658 -0.1187 0.1357 153 PHE B CG 4001 C CD1 . PHE B 158 ? 1.2272 1.2547 1.5095 -0.0746 -0.1258 0.1439 153 PHE B CD1 4002 C CD2 . PHE B 158 ? 1.1306 1.1530 1.3903 -0.0594 -0.1198 0.1314 153 PHE B CD2 4003 C CE1 . PHE B 158 ? 1.2892 1.2993 1.5781 -0.0773 -0.1337 0.1477 153 PHE B CE1 4004 C CE2 . PHE B 158 ? 1.2058 1.2113 1.4721 -0.0610 -0.1277 0.1351 153 PHE B CE2 4005 C CZ . PHE B 158 ? 1.2885 1.2869 1.5689 -0.0701 -0.1347 0.1433 153 PHE B CZ 4006 N N . LEU B 159 ? 1.0333 1.1012 1.2942 -0.0673 -0.1090 0.1245 154 LEU B N 4007 C CA . LEU B 159 ? 0.9743 1.0587 1.2346 -0.0669 -0.1023 0.1261 154 LEU B CA 4008 C C . LEU B 159 ? 1.1249 1.2236 1.4012 -0.0728 -0.0992 0.1408 154 LEU B C 4009 O O . LEU B 159 ? 1.2633 1.3581 1.5546 -0.0799 -0.1062 0.1476 154 LEU B O 4010 C CB . LEU B 159 ? 1.0153 1.0957 1.2735 -0.0675 -0.1085 0.1176 154 LEU B CB 4011 C CG . LEU B 159 ? 0.9425 1.0202 1.1824 -0.0604 -0.1050 0.1051 154 LEU B CG 4012 C CD1 . LEU B 159 ? 1.0143 1.0865 1.2525 -0.0617 -0.1127 0.0983 154 LEU B CD1 4013 C CD2 . LEU B 159 ? 0.9980 1.0912 1.2316 -0.0565 -0.0931 0.1078 154 LEU B CD2 4014 N N . VAL B 160 ? 0.8747 0.9896 1.1478 -0.0700 -0.0885 0.1456 155 VAL B N 4015 C CA . VAL B 160 ? 0.9715 1.1022 1.2591 -0.0746 -0.0839 0.1590 155 VAL B CA 4016 C C . VAL B 160 ? 1.1015 1.2389 1.4014 -0.0787 -0.0886 0.1594 155 VAL B C 4017 O O . VAL B 160 ? 1.0632 1.1998 1.3548 -0.0750 -0.0896 0.1501 155 VAL B O 4018 C CB . VAL B 160 ? 0.9078 1.0535 1.1867 -0.0693 -0.0710 0.1627 155 VAL B CB 4019 C CG1 . VAL B 160 ? 1.1718 1.3348 1.4654 -0.0733 -0.0653 0.1764 155 VAL B CG1 4020 C CG2 . VAL B 160 ? 0.8438 0.9839 1.1109 -0.0655 -0.0674 0.1626 155 VAL B CG2 4021 N N . GLU B 161 ? 1.9455 2.0896 2.2654 -0.0864 -0.0916 0.1706 156 GLU B N 4022 C CA . GLU B 161 ? 2.0396 2.1917 2.3744 -0.0910 -0.0972 0.1720 156 GLU B CA 4023 C C . GLU B 161 ? 2.0784 2.2495 2.4121 -0.0861 -0.0879 0.1733 156 GLU B C 4024 O O . GLU B 161 ? 2.0722 2.2475 2.3910 -0.0790 -0.0778 0.1711 156 GLU B O 4025 C CB . GLU B 161 ? 2.0748 2.2314 2.4334 -0.1011 -0.1018 0.1849 156 GLU B CB 4026 C CG . GLU B 161 ? 2.0894 2.2255 2.4501 -0.1063 -0.1114 0.1844 156 GLU B CG 4027 C CD . GLU B 161 ? 2.1995 2.3391 2.5847 -0.1174 -0.1164 0.1974 156 GLU B CD 4028 O OE1 . GLU B 161 ? 2.1249 2.2464 2.5151 -0.1230 -0.1274 0.1959 156 GLU B OE1 4029 O OE2 . GLU B 161 ? 2.2211 2.3811 2.6208 -0.1204 -0.1092 0.2092 156 GLU B OE2 4030 N N . ASP B 162 ? 3.0376 3.2196 3.3873 -0.0898 -0.0919 0.1766 157 ASP B N 4031 C CA . ASP B 162 ? 3.1124 3.3117 3.4624 -0.0846 -0.0843 0.1776 157 ASP B CA 4032 C C . ASP B 162 ? 3.1688 3.3842 3.5201 -0.0818 -0.0700 0.1876 157 ASP B C 4033 O O . ASP B 162 ? 3.1581 3.3753 3.4924 -0.0739 -0.0606 0.1834 157 ASP B O 4034 C CB . ASP B 162 ? 3.1772 3.3872 3.5483 -0.0898 -0.0921 0.1813 157 ASP B CB 4035 C CG . ASP B 162 ? 3.1716 3.3932 3.5389 -0.0828 -0.0881 0.1777 157 ASP B CG 4036 O OD1 . ASP B 162 ? 3.1020 3.3312 3.4584 -0.0754 -0.0758 0.1781 157 ASP B OD1 4037 O OD2 . ASP B 162 ? 3.1528 3.3750 3.5276 -0.0845 -0.0978 0.1743 157 ASP B OD2 4038 N N . HIS B 163 ? 2.4354 2.6618 2.8064 -0.0885 -0.0684 0.2008 158 HIS B N 4039 C CA . HIS B 163 ? 2.3478 2.5891 2.7197 -0.0863 -0.0547 0.2113 158 HIS B CA 4040 C C . HIS B 163 ? 2.3409 2.5730 2.7105 -0.0904 -0.0542 0.2177 158 HIS B C 4041 O O . HIS B 163 ? 2.3325 2.5758 2.7147 -0.0947 -0.0485 0.2311 158 HIS B O 4042 C CB . HIS B 163 ? 2.2719 2.5363 2.6682 -0.0898 -0.0508 0.2231 158 HIS B CB 4043 C CG . HIS B 163 ? 2.3513 2.6241 2.7540 -0.0869 -0.0544 0.2178 158 HIS B CG 4044 N ND1 . HIS B 163 ? 2.3129 2.5909 2.7015 -0.0769 -0.0468 0.2114 158 HIS B ND1 4045 C CD2 . HIS B 163 ? 2.3824 2.6587 2.8039 -0.0926 -0.0655 0.2179 158 HIS B CD2 4046 C CE1 . HIS B 163 ? 2.3252 2.6094 2.7232 -0.0760 -0.0527 0.2084 158 HIS B CE1 4047 N NE2 . HIS B 163 ? 2.3632 2.6472 2.7813 -0.0855 -0.0643 0.2121 158 HIS B NE2 4048 N N . GLY B 164 ? 1.6232 1.8351 1.9768 -0.0886 -0.0599 0.2083 159 GLY B N 4049 C CA . GLY B 164 ? 1.5602 1.7606 1.9110 -0.0917 -0.0615 0.2131 159 GLY B CA 4050 C C . GLY B 164 ? 1.6388 1.8436 1.9742 -0.0858 -0.0498 0.2169 159 GLY B C 4051 O O . GLY B 164 ? 1.6219 1.8247 1.9594 -0.0890 -0.0481 0.2265 159 GLY B O 4052 N N . PHE B 165 ? 3.1029 3.3129 3.4223 -0.0774 -0.0423 0.2093 160 PHE B N 4053 C CA . PHE B 165 ? 3.1488 3.3620 3.4514 -0.0715 -0.0322 0.2111 160 PHE B CA 4054 C C . PHE B 165 ? 3.1167 3.3497 3.4200 -0.0678 -0.0196 0.2175 160 PHE B C 4055 O O . PHE B 165 ? 3.0276 3.2695 3.3348 -0.0652 -0.0175 0.2139 160 PHE B O 4056 C CB . PHE B 165 ? 3.1454 3.3466 3.4264 -0.0645 -0.0332 0.1967 160 PHE B CB 4057 C CG . PHE B 165 ? 3.1415 3.3448 3.4049 -0.0588 -0.0246 0.1974 160 PHE B CG 4058 C CD1 . PHE B 165 ? 3.1410 3.3370 3.4002 -0.0600 -0.0264 0.2023 160 PHE B CD1 4059 C CD2 . PHE B 165 ? 3.0005 3.2123 3.2513 -0.0522 -0.0156 0.1929 160 PHE B CD2 4060 C CE1 . PHE B 165 ? 3.0904 3.2885 3.3328 -0.0548 -0.0196 0.2028 160 PHE B CE1 4061 C CE2 . PHE B 165 ? 2.9760 3.1890 3.2099 -0.0473 -0.0087 0.1928 160 PHE B CE2 4062 C CZ . PHE B 165 ? 3.0101 3.2168 3.2398 -0.0487 -0.0109 0.1978 160 PHE B CZ 4063 N N . GLY B 166 ? 3.1834 3.4228 3.4819 -0.0670 -0.0114 0.2271 161 GLY B N 4064 C CA . GLY B 166 ? 3.1797 3.4368 3.4753 -0.0623 0.0017 0.2331 161 GLY B CA 4065 C C . GLY B 166 ? 3.2356 3.4917 3.5143 -0.0591 0.0088 0.2379 161 GLY B C 4066 O O . GLY B 166 ? 3.2393 3.4846 3.5159 -0.0626 0.0036 0.2416 161 GLY B O 4067 N N . VAL B 167 ? 2.9801 3.2468 3.2461 -0.0521 0.0202 0.2378 162 VAL B N 4068 C CA . VAL B 167 ? 2.9428 3.2085 3.1897 -0.0482 0.0265 0.2410 162 VAL B CA 4069 C C . VAL B 167 ? 2.9374 3.2173 3.1915 -0.0505 0.0359 0.2577 162 VAL B C 4070 O O . VAL B 167 ? 2.9276 3.2048 3.1705 -0.0503 0.0384 0.2646 162 VAL B O 4071 C CB . VAL B 167 ? 2.7752 3.0414 3.0001 -0.0389 0.0332 0.2299 162 VAL B CB 4072 C CG1 . VAL B 167 ? 2.6726 2.9548 2.9023 -0.0347 0.0433 0.2316 162 VAL B CG1 4073 C CG2 . VAL B 167 ? 2.6535 2.9164 2.8568 -0.0351 0.0373 0.2314 162 VAL B CG2 4074 N N . PHE B 168 ? 3.1530 3.4485 3.4262 -0.0528 0.0409 0.2647 163 PHE B N 4075 C CA . PHE B 168 ? 3.0431 3.3549 3.3251 -0.0550 0.0513 0.2810 163 PHE B CA 4076 C C . PHE B 168 ? 3.1981 3.5062 3.4967 -0.0653 0.0455 0.2941 163 PHE B C 4077 O O . PHE B 168 ? 3.2277 3.5397 3.5225 -0.0669 0.0519 0.3068 163 PHE B O 4078 N N . HIS B 169 ? 2.5210 2.8210 2.8375 -0.0724 0.0333 0.2913 164 HIS B N 4079 C CA . HIS B 169 ? 2.5505 2.8410 2.8801 -0.0822 0.0253 0.3010 164 HIS B CA 4080 C C . HIS B 169 ? 2.5452 2.8121 2.8643 -0.0822 0.0121 0.2896 164 HIS B C 4081 O O . HIS B 169 ? 2.4891 2.7482 2.8135 -0.0828 0.0030 0.2782 164 HIS B O 4082 C CB . HIS B 169 ? 2.5141 2.8139 2.8749 -0.0916 0.0213 0.3086 164 HIS B CB 4083 C CG . HIS B 169 ? 2.5706 2.8609 2.9459 -0.1024 0.0139 0.3199 164 HIS B CG 4084 N ND1 . HIS B 169 ? 2.5988 2.8854 2.9985 -0.1121 0.0029 0.3211 164 HIS B ND1 4085 C CD2 . HIS B 169 ? 2.5574 2.8398 2.9256 -0.1051 0.0153 0.3307 164 HIS B CD2 4086 C CE1 . HIS B 169 ? 2.5852 2.8615 2.9927 -0.1205 -0.0019 0.3319 164 HIS B CE1 4087 N NE2 . HIS B 169 ? 2.5785 2.8519 2.9672 -0.1163 0.0057 0.3382 164 HIS B NE2 4088 N N . THR B 170 ? 2.2704 2.5262 2.5745 -0.0810 0.0114 0.2929 165 THR B N 4089 C CA . THR B 170 ? 2.2294 2.4644 2.5211 -0.0790 0.0007 0.2819 165 THR B CA 4090 C C . THR B 170 ? 2.2228 2.4429 2.5313 -0.0874 -0.0122 0.2836 165 THR B C 4091 O O . THR B 170 ? 2.2021 2.4087 2.5075 -0.0896 -0.0174 0.2887 165 THR B O 4092 C CB . THR B 170 ? 2.2020 2.4313 2.4719 -0.0739 0.0040 0.2850 165 THR B CB 4093 O OG1 . THR B 170 ? 2.2195 2.4470 2.4967 -0.0801 0.0044 0.3016 165 THR B OG1 4094 C CG2 . THR B 170 ? 2.1474 2.3910 2.4002 -0.0660 0.0167 0.2838 165 THR B CG2 4095 N N . SER B 171 ? 2.0873 2.3096 2.4134 -0.0919 -0.0177 0.2792 166 SER B N 4096 C CA . SER B 171 ? 2.0450 2.2502 2.3827 -0.0981 -0.0317 0.2748 166 SER B CA 4097 C C . SER B 171 ? 1.9976 2.1944 2.3256 -0.0925 -0.0378 0.2561 166 SER B C 4098 O O . SER B 171 ? 1.9724 2.1802 2.2946 -0.0871 -0.0320 0.2492 166 SER B O 4099 C CB . SER B 171 ? 1.9887 2.2013 2.3540 -0.1085 -0.0350 0.2840 166 SER B CB 4100 O OG . SER B 171 ? 2.0201 2.2322 2.3959 -0.1160 -0.0336 0.3007 166 SER B OG 4101 N N . VAL B 172 ? 1.6691 1.8458 1.9944 -0.0933 -0.0490 0.2482 167 VAL B N 4102 C CA . VAL B 172 ? 1.5536 1.7212 1.8704 -0.0886 -0.0552 0.2310 167 VAL B CA 4103 C C . VAL B 172 ? 1.5600 1.7123 1.8895 -0.0950 -0.0685 0.2268 167 VAL B C 4104 O O . VAL B 172 ? 1.5473 1.6824 1.8760 -0.0966 -0.0760 0.2268 167 VAL B O 4105 C CB . VAL B 172 ? 1.5310 1.6886 1.8260 -0.0804 -0.0547 0.2217 167 VAL B CB 4106 C CG1 . VAL B 172 ? 1.4862 1.6347 1.7734 -0.0762 -0.0604 0.2047 167 VAL B CG1 4107 C CG2 . VAL B 172 ? 1.5819 1.7532 1.8627 -0.0743 -0.0426 0.2247 167 VAL B CG2 4108 N N . TRP B 173 ? 1.8644 2.0226 2.2054 -0.0982 -0.0719 0.2232 168 TRP B N 4109 C CA . TRP B 173 ? 1.8436 1.9881 2.1970 -0.1048 -0.0852 0.2192 168 TRP B CA 4110 C C . TRP B 173 ? 1.6944 1.8251 2.0337 -0.0991 -0.0918 0.2015 168 TRP B C 4111 O O . TRP B 173 ? 1.6223 1.7608 1.9533 -0.0938 -0.0881 0.1933 168 TRP B O 4112 C CB . TRP B 173 ? 1.8553 2.0141 2.2307 -0.1124 -0.0867 0.2259 168 TRP B CB 4113 C CG . TRP B 173 ? 1.9232 2.0956 2.3147 -0.1190 -0.0801 0.2441 168 TRP B CG 4114 C CD1 . TRP B 173 ? 1.8801 2.0717 2.2692 -0.1157 -0.0663 0.2532 168 TRP B CD1 4115 C CD2 . TRP B 173 ? 1.9581 2.1256 2.3700 -0.1302 -0.0867 0.2555 168 TRP B CD2 4116 N NE1 . TRP B 173 ? 1.9084 2.1084 2.3148 -0.1238 -0.0631 0.2699 168 TRP B NE1 4117 C CE2 . TRP B 173 ? 1.9475 2.1330 2.3689 -0.1333 -0.0755 0.2720 168 TRP B CE2 4118 C CE3 . TRP B 173 ? 1.9197 2.0686 2.3424 -0.1381 -0.1009 0.2532 168 TRP B CE3 4119 C CZ2 . TRP B 173 ? 1.9491 2.1353 2.3912 -0.1444 -0.0777 0.2871 168 TRP B CZ2 4120 C CZ3 . TRP B 173 ? 1.9058 2.0541 2.3492 -0.1493 -0.1039 0.2677 168 TRP B CZ3 4121 C CH2 . TRP B 173 ? 1.8969 2.0642 2.3503 -0.1527 -0.0922 0.2848 168 TRP B CH2 4122 N N . LEU B 174 ? 1.5444 1.6541 1.8804 -0.0998 -0.1012 0.1960 169 LEU B N 4123 C CA . LEU B 174 ? 1.4380 1.5340 1.7595 -0.0937 -0.1066 0.1795 169 LEU B CA 4124 C C . LEU B 174 ? 1.4312 1.5102 1.7606 -0.0990 -0.1204 0.1735 169 LEU B C 4125 O O . LEU B 174 ? 1.5692 1.6428 1.9145 -0.1075 -0.1269 0.1820 169 LEU B O 4126 C CB . LEU B 174 ? 1.3339 1.4198 1.6395 -0.0865 -0.1042 0.1752 169 LEU B CB 4127 C CG . LEU B 174 ? 1.4080 1.5078 1.7044 -0.0815 -0.0922 0.1812 169 LEU B CG 4128 C CD1 . LEU B 174 ? 1.6219 1.7204 1.9246 -0.0850 -0.0910 0.1954 169 LEU B CD1 4129 C CD2 . LEU B 174 ? 1.3168 1.4122 1.5941 -0.0722 -0.0894 0.1692 169 LEU B CD2 4130 N N . LYS B 175 ? 1.1469 1.2167 1.4641 -0.0941 -0.1248 0.1587 170 LYS B N 4131 C CA . LYS B 175 ? 1.1741 1.2259 1.4941 -0.0975 -0.1379 0.1504 170 LYS B CA 4132 C C . LYS B 175 ? 1.0882 1.1237 1.3891 -0.0891 -0.1399 0.1357 170 LYS B C 4133 O O . LYS B 175 ? 1.0286 1.0707 1.3153 -0.0812 -0.1312 0.1307 170 LYS B O 4134 C CB . LYS B 175 ? 1.2070 1.2667 1.5339 -0.1013 -0.1425 0.1474 170 LYS B CB 4135 C CG . LYS B 175 ? 1.1764 1.2438 1.4874 -0.0933 -0.1368 0.1373 170 LYS B CG 4136 C CD . LYS B 175 ? 1.2546 1.3307 1.5732 -0.0967 -0.1417 0.1360 170 LYS B CD 4137 C CE . LYS B 175 ? 1.3441 1.4027 1.6656 -0.1014 -0.1569 0.1284 170 LYS B CE 4138 N NZ . LYS B 175 ? 1.3840 1.4515 1.7123 -0.1044 -0.1628 0.1268 170 LYS B NZ 4139 N N . VAL B 176 ? 1.2391 1.2536 1.5401 -0.0907 -0.1511 0.1289 171 VAL B N 4140 C CA . VAL B 176 ? 1.1211 1.1203 1.4047 -0.0824 -0.1531 0.1142 171 VAL B CA 4141 C C . VAL B 176 ? 1.1046 1.1053 1.3780 -0.0798 -0.1548 0.1026 171 VAL B C 4142 O O . VAL B 176 ? 1.2054 1.2037 1.4860 -0.0858 -0.1634 0.1016 171 VAL B O 4143 C CB . VAL B 176 ? 1.1548 1.1292 1.4408 -0.0841 -0.1643 0.1105 171 VAL B CB 4144 C CG1 . VAL B 176 ? 1.2568 1.2161 1.5248 -0.0752 -0.1666 0.0940 171 VAL B CG1 4145 C CG2 . VAL B 176 ? 1.1915 1.1625 1.4843 -0.0848 -0.1621 0.1215 171 VAL B CG2 4146 N N . ARG B 177 ? 1.0553 1.0604 1.3122 -0.0712 -0.1468 0.0944 172 ARG B N 4147 C CA . ARG B 177 ? 1.0532 1.0601 1.2978 -0.0678 -0.1465 0.0841 172 ARG B CA 4148 C C . ARG B 177 ? 1.0721 1.0608 1.3125 -0.0691 -0.1588 0.0738 172 ARG B C 4149 O O . ARG B 177 ? 1.1921 1.1629 1.4338 -0.0697 -0.1664 0.0705 172 ARG B O 4150 C CB . ARG B 177 ? 1.1710 1.1804 1.3981 -0.0584 -0.1368 0.0760 172 ARG B CB 4151 C CG . ARG B 177 ? 1.0356 1.0648 1.2621 -0.0565 -0.1247 0.0829 172 ARG B CG 4152 C CD . ARG B 177 ? 1.0082 1.0383 1.2181 -0.0482 -0.1165 0.0739 172 ARG B CD 4153 N NE . ARG B 177 ? 0.8901 0.9370 1.0959 -0.0466 -0.1064 0.0769 172 ARG B NE 4154 C CZ . ARG B 177 ? 0.9729 1.0247 1.1720 -0.0459 -0.1045 0.0733 172 ARG B CZ 4155 N NH1 . ARG B 177 ? 1.0032 1.0453 1.1986 -0.0468 -0.1124 0.0666 172 ARG B NH1 4156 N NH2 . ARG B 177 ? 0.9201 0.9856 1.1154 -0.0441 -0.0952 0.0762 172 ARG B NH2 4157 N N . GLU B 178 ? 1.3755 1.3680 1.6099 -0.0692 -0.1610 0.0686 173 GLU B N 4158 C CA . GLU B 178 ? 1.4862 1.4617 1.7122 -0.0694 -0.1723 0.0574 173 GLU B CA 4159 C C . GLU B 178 ? 1.4765 1.4442 1.6794 -0.0597 -0.1676 0.0440 173 GLU B C 4160 O O . GLU B 178 ? 1.5673 1.5165 1.7596 -0.0571 -0.1748 0.0331 173 GLU B O 4161 C CB . GLU B 178 ? 1.4865 1.4700 1.7187 -0.0749 -0.1789 0.0593 173 GLU B CB 4162 C CG . GLU B 178 ? 1.5599 1.5605 1.7839 -0.0707 -0.1698 0.0597 173 GLU B CG 4163 C CD . GLU B 178 ? 1.6519 1.6744 1.8913 -0.0736 -0.1611 0.0734 173 GLU B CD 4164 O OE1 . GLU B 178 ? 1.6118 1.6397 1.8519 -0.0712 -0.1515 0.0783 173 GLU B OE1 4165 O OE2 . GLU B 178 ? 1.7614 1.7962 2.0119 -0.0779 -0.1640 0.0793 173 GLU B OE2 4166 N N . ASP B 179 ? 1.3397 1.3214 1.5354 -0.0546 -0.1550 0.0453 174 ASP B N 4167 C CA . ASP B 179 ? 1.3775 1.3569 1.5531 -0.0462 -0.1479 0.0348 174 ASP B CA 4168 C C . ASP B 179 ? 1.3418 1.3258 1.5156 -0.0409 -0.1375 0.0358 174 ASP B C 4169 O O . ASP B 179 ? 1.2480 1.2425 1.4339 -0.0435 -0.1334 0.0461 174 ASP B O 4170 C CB . ASP B 179 ? 1.3644 1.3586 1.5347 -0.0456 -0.1416 0.0368 174 ASP B CB 4171 C CG . ASP B 179 ? 1.3590 1.3721 1.5425 -0.0484 -0.1338 0.0493 174 ASP B CG 4172 O OD1 . ASP B 179 ? 1.3472 1.3622 1.5459 -0.0527 -0.1357 0.0576 174 ASP B OD1 4173 O OD2 . ASP B 179 ? 1.3577 1.3831 1.5359 -0.0462 -0.1257 0.0509 174 ASP B OD2 4174 N N . TYR B 180 ? 1.6885 1.6657 1.8473 -0.0335 -0.1331 0.0254 175 TYR B N 4175 C CA . TYR B 180 ? 1.6954 1.6805 1.8521 -0.0283 -0.1225 0.0259 175 TYR B CA 4176 C C . TYR B 180 ? 1.6143 1.6145 1.7630 -0.0265 -0.1120 0.0265 175 TYR B C 4177 O O . TYR B 180 ? 1.5550 1.5541 1.6926 -0.0258 -0.1118 0.0214 175 TYR B O 4178 C CB . TYR B 180 ? 1.7361 1.7082 1.8831 -0.0210 -0.1224 0.0149 175 TYR B CB 4179 C CG . TYR B 180 ? 1.8614 1.8262 1.9901 -0.0163 -0.1213 0.0029 175 TYR B CG 4180 C CD1 . TYR B 180 ? 1.8064 1.7805 1.9238 -0.0115 -0.1103 -0.0011 175 TYR B CD1 4181 C CD2 . TYR B 180 ? 1.9785 1.9264 2.1005 -0.0167 -0.1315 -0.0045 175 TYR B CD2 4182 C CE1 . TYR B 180 ? 1.9881 1.9556 2.0878 -0.0073 -0.1086 -0.0112 175 TYR B CE1 4183 C CE2 . TYR B 180 ? 2.0096 1.9504 2.1125 -0.0119 -0.1304 -0.0154 175 TYR B CE2 4184 C CZ . TYR B 180 ? 2.0649 2.0157 2.1566 -0.0071 -0.1184 -0.0183 175 TYR B CZ 4185 O OH . TYR B 180 ? 1.9889 1.9327 2.0609 -0.0025 -0.1165 -0.0283 175 TYR B OH 4186 N N . SER B 181 ? 1.1041 1.1174 1.2578 -0.0259 -0.1036 0.0328 176 SER B N 4187 C CA . SER B 181 ? 0.9234 0.9498 1.0698 -0.0244 -0.0936 0.0333 176 SER B CA 4188 C C . SER B 181 ? 0.8976 0.9340 1.0463 -0.0219 -0.0851 0.0360 176 SER B C 4189 O O . SER B 181 ? 0.9016 0.9366 1.0588 -0.0216 -0.0872 0.0396 176 SER B O 4190 C CB . SER B 181 ? 1.0314 1.0675 1.1836 -0.0294 -0.0939 0.0415 176 SER B CB 4191 O OG . SER B 181 ? 0.9373 0.9838 1.1025 -0.0325 -0.0917 0.0521 176 SER B OG 4192 N N . LEU B 182 ? 0.9732 1.0190 1.1139 -0.0201 -0.0761 0.0345 177 LEU B N 4193 C CA . LEU B 182 ? 0.8264 0.8820 0.9676 -0.0179 -0.0683 0.0358 177 LEU B CA 4194 C C . LEU B 182 ? 0.7959 0.8644 0.9409 -0.0209 -0.0634 0.0445 177 LEU B C 4195 O O . LEU B 182 ? 0.7469 0.8240 0.8922 -0.0198 -0.0576 0.0463 177 LEU B O 4196 C CB . LEU B 182 ? 0.8189 0.8750 0.9481 -0.0137 -0.0613 0.0266 177 LEU B CB 4197 C CG . LEU B 182 ? 0.7667 0.8157 0.8932 -0.0086 -0.0618 0.0180 177 LEU B CG 4198 C CD1 . LEU B 182 ? 0.8609 0.8954 0.9897 -0.0080 -0.0714 0.0154 177 LEU B CD1 4199 C CD2 . LEU B 182 ? 0.7021 0.7511 0.8155 -0.0057 -0.0548 0.0098 177 LEU B CD2 4200 N N . GLU B 183 ? 0.7867 0.8566 0.9347 -0.0245 -0.0661 0.0495 178 GLU B N 4201 C CA . GLU B 183 ? 0.6995 0.7814 0.8502 -0.0266 -0.0609 0.0572 178 GLU B CA 4202 C C . GLU B 183 ? 0.7758 0.8640 0.9382 -0.0289 -0.0617 0.0669 178 GLU B C 4203 O O . GLU B 183 ? 0.8244 0.9074 0.9963 -0.0314 -0.0687 0.0709 178 GLU B O 4204 C CB . GLU B 183 ? 0.8602 0.9424 1.0111 -0.0288 -0.0635 0.0591 178 GLU B CB 4205 C CG . GLU B 183 ? 0.8733 0.9677 1.0287 -0.0302 -0.0586 0.0674 178 GLU B CG 4206 C CD . GLU B 183 ? 0.8948 0.9903 1.0519 -0.0317 -0.0618 0.0693 178 GLU B CD 4207 O OE1 . GLU B 183 ? 0.9644 1.0695 1.1314 -0.0337 -0.0610 0.0777 178 GLU B OE1 4208 O OE2 . GLU B 183 ? 0.8635 0.9507 1.0120 -0.0304 -0.0650 0.0625 178 GLU B OE2 4209 N N . CYS B 184 ? 0.7080 0.8066 0.8687 -0.0282 -0.0545 0.0708 179 CYS B N 4210 C CA . CYS B 184 ? 0.6760 0.7819 0.8454 -0.0302 -0.0539 0.0810 179 CYS B CA 4211 C C . CYS B 184 ? 0.7821 0.8924 0.9605 -0.0340 -0.0558 0.0890 179 CYS B C 4212 O O . CYS B 184 ? 0.7530 0.8657 0.9285 -0.0340 -0.0542 0.0873 179 CYS B O 4213 C CB . CYS B 184 ? 0.7355 0.8511 0.8985 -0.0281 -0.0457 0.0822 179 CYS B CB 4214 S SG . CYS B 184 ? 0.7465 0.8602 0.9005 -0.0242 -0.0430 0.0727 179 CYS B SG 4215 N N . ASP B 185 ? 0.8046 0.9165 0.9946 -0.0373 -0.0593 0.0981 180 ASP B N 4216 C CA . ASP B 185 ? 0.8350 0.9531 1.0365 -0.0416 -0.0609 0.1069 180 ASP B CA 4217 C C . ASP B 185 ? 0.8102 0.9413 1.0086 -0.0401 -0.0523 0.1102 180 ASP B C 4218 O O . ASP B 185 ? 0.8739 1.0125 1.0687 -0.0384 -0.0455 0.1142 180 ASP B O 4219 C CB . ASP B 185 ? 0.8761 0.9949 1.0898 -0.0456 -0.0640 0.1174 180 ASP B CB 4220 C CG . ASP B 185 ? 0.9513 1.0736 1.1804 -0.0514 -0.0685 0.1254 180 ASP B CG 4221 O OD1 . ASP B 185 ? 0.8670 0.9975 1.0981 -0.0517 -0.0662 0.1259 180 ASP B OD1 4222 O OD2 . ASP B 185 ? 1.0856 1.2024 1.3256 -0.0559 -0.0746 0.1313 180 ASP B OD2 4223 N N . PRO B 186 ? 0.6499 0.7829 0.8487 -0.0401 -0.0528 0.1081 181 PRO B N 4224 C CA . PRO B 186 ? 0.6349 0.7787 0.8302 -0.0375 -0.0448 0.1102 181 PRO B CA 4225 C C . PRO B 186 ? 0.7013 0.8583 0.9094 -0.0397 -0.0416 0.1221 181 PRO B C 4226 O O . PRO B 186 ? 0.6665 0.8331 0.8721 -0.0369 -0.0342 0.1245 181 PRO B O 4227 C CB . PRO B 186 ? 0.6029 0.7427 0.7957 -0.0368 -0.0484 0.1045 181 PRO B CB 4228 C CG . PRO B 186 ? 0.5217 0.6535 0.7235 -0.0410 -0.0590 0.1040 181 PRO B CG 4229 C CD . PRO B 186 ? 0.6666 0.7907 0.8678 -0.0419 -0.0614 0.1030 181 PRO B CD 4230 N N . ALA B 187 ? 0.7480 0.9051 0.9694 -0.0446 -0.0467 0.1296 182 ALA B N 4231 C CA . ALA B 187 ? 0.7614 0.9317 0.9965 -0.0475 -0.0434 0.1419 182 ALA B CA 4232 C C . ALA B 187 ? 0.8094 0.9881 1.0371 -0.0443 -0.0333 0.1467 182 ALA B C 4233 O O . ALA B 187 ? 0.8871 1.0789 1.1193 -0.0433 -0.0264 0.1539 182 ALA B O 4234 C CB . ALA B 187 ? 0.8184 0.9851 1.0689 -0.0542 -0.0513 0.1489 182 ALA B CB 4235 N N . VAL B 188 ? 0.6344 0.8057 0.8504 -0.0422 -0.0328 0.1424 183 VAL B N 4236 C CA . VAL B 188 ? 0.6965 0.8743 0.9043 -0.0395 -0.0250 0.1467 183 VAL B CA 4237 C C . VAL B 188 ? 0.7339 0.9114 0.9245 -0.0339 -0.0189 0.1377 183 VAL B C 4238 O O . VAL B 188 ? 0.7680 0.9478 0.9485 -0.0314 -0.0140 0.1384 183 VAL B O 4239 C CB . VAL B 188 ? 0.7659 0.9370 0.9732 -0.0411 -0.0289 0.1498 183 VAL B CB 4240 C CG1 . VAL B 188 ? 0.9260 1.0982 1.1499 -0.0471 -0.0332 0.1611 183 VAL B CG1 4241 C CG2 . VAL B 188 ? 0.6396 0.7972 0.8408 -0.0399 -0.0355 0.1389 183 VAL B CG2 4242 N N . ILE B 189 ? 0.7532 0.9271 0.9399 -0.0322 -0.0195 0.1295 184 ILE B N 4243 C CA . ILE B 189 ? 0.6544 0.8264 0.8255 -0.0277 -0.0140 0.1210 184 ILE B CA 4244 C C . ILE B 189 ? 0.6392 0.8205 0.8079 -0.0244 -0.0060 0.1236 184 ILE B C 4245 O O . ILE B 189 ? 0.7367 0.9232 0.9154 -0.0249 -0.0064 0.1275 184 ILE B O 4246 C CB . ILE B 189 ? 0.6604 0.8220 0.8262 -0.0272 -0.0182 0.1104 184 ILE B CB 4247 C CG1 . ILE B 189 ? 0.6218 0.7741 0.7884 -0.0291 -0.0251 0.1066 184 ILE B CG1 4248 C CG2 . ILE B 189 ? 0.6737 0.8334 0.8245 -0.0234 -0.0121 0.1026 184 ILE B CG2 4249 C CD1 . ILE B 189 ? 0.5919 0.7345 0.7508 -0.0279 -0.0276 0.0958 184 ILE B CD1 4250 N N . GLY B 190 ? 0.4908 0.6739 0.6465 -0.0208 0.0009 0.1212 185 GLY B N 4251 C CA . GLY B 190 ? 0.5076 0.6972 0.6581 -0.0165 0.0090 0.1219 185 GLY B CA 4252 C C . GLY B 190 ? 0.6132 0.7958 0.7467 -0.0132 0.0127 0.1120 185 GLY B C 4253 O O . GLY B 190 ? 0.5949 0.7747 0.7186 -0.0131 0.0134 0.1085 185 GLY B O 4254 N N . THR B 191 ? 0.6045 0.7841 0.7351 -0.0106 0.0146 0.1075 186 THR B N 4255 C CA . THR B 191 ? 0.5256 0.6970 0.6409 -0.0081 0.0180 0.0983 186 THR B CA 4256 C C . THR B 191 ? 0.5413 0.7156 0.6522 -0.0028 0.0252 0.0990 186 THR B C 4257 O O . THR B 191 ? 0.6346 0.8142 0.7555 -0.0013 0.0251 0.1038 186 THR B O 4258 C CB . THR B 191 ? 0.5336 0.6945 0.6471 -0.0100 0.0129 0.0910 186 THR B CB 4259 O OG1 . THR B 191 ? 0.4897 0.6477 0.6072 -0.0139 0.0067 0.0898 186 THR B OG1 4260 C CG2 . THR B 191 ? 0.4456 0.5980 0.5441 -0.0082 0.0169 0.0824 186 THR B CG2 4261 N N . ALA B 192 ? 0.5950 0.7659 0.6915 0.0002 0.0309 0.0942 187 ALA B N 4262 C CA . ALA B 192 ? 0.5477 0.7205 0.6391 0.0061 0.0381 0.0946 187 ALA B CA 4263 C C . ALA B 192 ? 0.6194 0.7811 0.6931 0.0085 0.0420 0.0854 187 ALA B C 4264 O O . ALA B 192 ? 0.7177 0.8739 0.7826 0.0055 0.0405 0.0799 187 ALA B O 4265 C CB . ALA B 192 ? 0.5430 0.7281 0.6376 0.0088 0.0435 0.1026 187 ALA B CB 4266 N N . VAL B 193 ? 0.6370 0.7957 0.7066 0.0138 0.0468 0.0841 188 VAL B N 4267 C CA . VAL B 193 ? 0.6274 0.7743 0.6804 0.0165 0.0510 0.0760 188 VAL B CA 4268 C C . VAL B 193 ? 0.7365 0.8862 0.7840 0.0242 0.0589 0.0774 188 VAL B C 4269 O O . VAL B 193 ? 0.7663 0.9243 0.8241 0.0286 0.0612 0.0836 188 VAL B O 4270 C CB . VAL B 193 ? 0.6852 0.8198 0.7352 0.0159 0.0487 0.0708 188 VAL B CB 4271 C CG1 . VAL B 193 ? 0.6969 0.8186 0.7328 0.0125 0.0488 0.0617 188 VAL B CG1 4272 C CG2 . VAL B 193 ? 0.6589 0.7959 0.7214 0.0119 0.0419 0.0739 188 VAL B CG2 4273 N N . LYS B 194 ? 0.6823 0.8244 0.7137 0.0261 0.0629 0.0711 189 LYS B N 4274 C CA . LYS B 194 ? 0.5848 0.7259 0.6079 0.0342 0.0707 0.0704 189 LYS B CA 4275 C C . LYS B 194 ? 0.6286 0.7539 0.6327 0.0343 0.0722 0.0601 189 LYS B C 4276 O O . LYS B 194 ? 0.7323 0.8560 0.7275 0.0309 0.0709 0.0563 189 LYS B O 4277 C CB . LYS B 194 ? 0.6723 0.8273 0.6968 0.0371 0.0752 0.0766 189 LYS B CB 4278 C CG . LYS B 194 ? 0.6183 0.7872 0.6569 0.0427 0.0797 0.0857 189 LYS B CG 4279 C CD . LYS B 194 ? 0.6836 0.8683 0.7286 0.0418 0.0820 0.0942 189 LYS B CD 4280 C CE . LYS B 194 ? 0.7711 0.9568 0.7996 0.0475 0.0900 0.0925 189 LYS B CE 4281 N NZ . LYS B 194 ? 0.7477 0.9440 0.7805 0.0564 0.0993 0.0978 189 LYS B NZ 4282 N N . GLY B 195 ? 0.5944 0.7077 0.5927 0.0382 0.0745 0.0560 190 GLY B N 4283 C CA . GLY B 195 ? 0.6706 0.7661 0.6519 0.0377 0.0755 0.0462 190 GLY B CA 4284 C C . GLY B 195 ? 0.7357 0.8248 0.7141 0.0282 0.0695 0.0408 190 GLY B C 4285 O O . GLY B 195 ? 0.6829 0.7706 0.6695 0.0232 0.0650 0.0417 190 GLY B O 4286 N N . LYS B 196 ? 0.6945 0.7804 0.6610 0.0258 0.0693 0.0350 191 LYS B N 4287 C CA . LYS B 196 ? 0.6324 0.7133 0.5965 0.0171 0.0638 0.0293 191 LYS B CA 4288 C C . LYS B 196 ? 0.6954 0.7903 0.6673 0.0127 0.0592 0.0331 191 LYS B C 4289 O O . LYS B 196 ? 0.7930 0.8865 0.7615 0.0069 0.0550 0.0282 191 LYS B O 4290 C CB . LYS B 196 ? 0.7140 0.7816 0.6607 0.0163 0.0649 0.0197 191 LYS B CB 4291 C CG . LYS B 196 ? 0.8292 0.8790 0.7670 0.0193 0.0685 0.0148 191 LYS B CG 4292 C CD . LYS B 196 ? 0.8897 0.9253 0.8108 0.0169 0.0683 0.0047 191 LYS B CD 4293 C CE . LYS B 196 ? 0.9905 1.0060 0.9027 0.0192 0.0715 -0.0002 191 LYS B CE 4294 N NZ . LYS B 196 ? 1.0913 1.0914 0.9876 0.0158 0.0705 -0.0105 191 LYS B NZ 4295 N N . GLU B 197 ? 0.7489 0.8574 0.7321 0.0154 0.0597 0.0420 192 GLU B N 4296 C CA . GLU B 197 ? 0.7516 0.8721 0.7426 0.0116 0.0552 0.0465 192 GLU B CA 4297 C C . GLU B 197 ? 0.7268 0.8560 0.7355 0.0104 0.0525 0.0546 192 GLU B C 4298 O O . GLU B 197 ? 0.7784 0.9098 0.7935 0.0146 0.0554 0.0591 192 GLU B O 4299 C CB . GLU B 197 ? 0.7924 0.9208 0.7759 0.0156 0.0584 0.0497 192 GLU B CB 4300 C CG . GLU B 197 ? 0.9666 1.1090 0.9617 0.0191 0.0611 0.0607 192 GLU B CG 4301 C CD . GLU B 197 ? 1.1287 1.2767 1.1136 0.0255 0.0679 0.0634 192 GLU B CD 4302 O OE1 . GLU B 197 ? 1.0516 1.2080 1.0439 0.0307 0.0734 0.0706 192 GLU B OE1 4303 O OE2 . GLU B 197 ? 1.2198 1.3644 1.1895 0.0256 0.0677 0.0585 192 GLU B OE2 4304 N N . ALA B 198 ? 0.5737 0.7075 0.5906 0.0050 0.0465 0.0560 193 ALA B N 4305 C CA . ALA B 198 ? 0.5519 0.6921 0.5847 0.0033 0.0430 0.0625 193 ALA B CA 4306 C C . ALA B 198 ? 0.5961 0.7437 0.6361 -0.0006 0.0376 0.0660 193 ALA B C 4307 O O . ALA B 198 ? 0.6599 0.8073 0.6929 -0.0025 0.0358 0.0625 193 ALA B O 4308 C CB . ALA B 198 ? 0.6439 0.7755 0.6798 0.0009 0.0406 0.0585 193 ALA B CB 4309 N N . VAL B 199 ? 0.6228 0.7766 0.6770 -0.0017 0.0344 0.0728 194 VAL B N 4310 C CA . VAL B 199 ? 0.6159 0.7751 0.6777 -0.0051 0.0289 0.0766 194 VAL B CA 4311 C C . VAL B 199 ? 0.5610 0.7205 0.6371 -0.0077 0.0237 0.0799 194 VAL B C 4312 O O . VAL B 199 ? 0.6638 0.8251 0.7472 -0.0064 0.0246 0.0839 194 VAL B O 4313 C CB . VAL B 199 ? 0.6282 0.7971 0.6901 -0.0031 0.0312 0.0849 194 VAL B CB 4314 C CG1 . VAL B 199 ? 0.5568 0.7326 0.6276 -0.0003 0.0352 0.0930 194 VAL B CG1 4315 C CG2 . VAL B 199 ? 0.6276 0.8002 0.6961 -0.0064 0.0252 0.0890 194 VAL B CG2 4316 N N . HIS B 200 ? 0.5359 0.6936 0.6160 -0.0112 0.0179 0.0776 195 HIS B N 4317 C CA . HIS B 200 ? 0.6077 0.7656 0.7007 -0.0136 0.0121 0.0810 195 HIS B CA 4318 C C . HIS B 200 ? 0.6010 0.7645 0.6997 -0.0148 0.0087 0.0872 195 HIS B C 4319 O O . HIS B 200 ? 0.6408 0.8047 0.7336 -0.0150 0.0077 0.0848 195 HIS B O 4320 C CB . HIS B 200 ? 0.5781 0.7281 0.6708 -0.0157 0.0085 0.0732 195 HIS B CB 4321 C CG . HIS B 200 ? 0.4956 0.6389 0.5830 -0.0149 0.0113 0.0683 195 HIS B CG 4322 N ND1 . HIS B 200 ? 0.4805 0.6206 0.5568 -0.0133 0.0168 0.0641 195 HIS B ND1 4323 C CD2 . HIS B 200 ? 0.5616 0.7000 0.6525 -0.0153 0.0090 0.0671 195 HIS B CD2 4324 C CE1 . HIS B 200 ? 0.5329 0.6661 0.6064 -0.0127 0.0181 0.0611 195 HIS B CE1 4325 N NE2 . HIS B 200 ? 0.5798 0.7123 0.6617 -0.0138 0.0133 0.0630 195 HIS B NE2 4326 N N . SER B 201 ? 0.5835 0.7511 0.6938 -0.0158 0.0064 0.0956 196 SER B N 4327 C CA . SER B 201 ? 0.6296 0.8013 0.7449 -0.0170 0.0035 0.1027 196 SER B CA 4328 C C . SER B 201 ? 0.6564 0.8280 0.7867 -0.0200 -0.0020 0.1093 196 SER B C 4329 O O . SER B 201 ? 0.6705 0.8413 0.8082 -0.0209 -0.0030 0.1098 196 SER B O 4330 C CB . SER B 201 ? 0.6122 0.7921 0.7220 -0.0147 0.0096 0.1095 196 SER B CB 4331 O OG . SER B 201 ? 0.6835 0.8692 0.8002 -0.0139 0.0137 0.1158 196 SER B OG 4332 N N . ASP B 202 ? 0.5856 0.7572 0.7202 -0.0215 -0.0063 0.1140 197 ASP B N 4333 C CA . ASP B 202 ? 0.5680 0.7394 0.7167 -0.0247 -0.0113 0.1222 197 ASP B CA 4334 C C . ASP B 202 ? 0.6188 0.7941 0.7674 -0.0250 -0.0113 0.1312 197 ASP B C 4335 O O . ASP B 202 ? 0.6598 0.8410 0.7984 -0.0225 -0.0057 0.1332 197 ASP B O 4336 C CB . ASP B 202 ? 0.6036 0.7651 0.7583 -0.0265 -0.0192 0.1164 197 ASP B CB 4337 C CG . ASP B 202 ? 0.7107 0.8674 0.8604 -0.0251 -0.0226 0.1113 197 ASP B CG 4338 O OD1 . ASP B 202 ? 0.7127 0.8680 0.8534 -0.0231 -0.0207 0.1022 197 ASP B OD1 4339 O OD2 . ASP B 202 ? 0.8109 0.9653 0.9663 -0.0261 -0.0274 0.1166 197 ASP B OD2 4340 N N . LEU B 203 ? 0.5606 0.7316 0.7191 -0.0278 -0.0178 0.1365 198 LEU B N 4341 C CA . LEU B 203 ? 0.6986 0.8719 0.8569 -0.0281 -0.0182 0.1462 198 LEU B CA 4342 C C . LEU B 203 ? 0.7518 0.9217 0.9001 -0.0252 -0.0210 0.1412 198 LEU B C 4343 O O . LEU B 203 ? 0.8784 1.0503 1.0229 -0.0244 -0.0214 0.1484 198 LEU B O 4344 C CB . LEU B 203 ? 0.7740 0.9429 0.9474 -0.0326 -0.0243 0.1547 198 LEU B CB 4345 C CG . LEU B 203 ? 0.7815 0.9563 0.9672 -0.0363 -0.0219 0.1619 198 LEU B CG 4346 C CD1 . LEU B 203 ? 0.8560 1.0247 1.0571 -0.0417 -0.0291 0.1697 198 LEU B CD1 4347 C CD2 . LEU B 203 ? 0.7761 0.9638 0.9577 -0.0351 -0.0125 0.1705 198 LEU B CD2 4348 N N . GLY B 204 ? 0.7871 0.9525 0.9314 -0.0236 -0.0230 0.1294 199 GLY B N 4349 C CA . GLY B 204 ? 0.8170 0.9804 0.9546 -0.0210 -0.0262 0.1239 199 GLY B CA 4350 C C . GLY B 204 ? 0.7887 0.9554 0.9142 -0.0188 -0.0220 0.1144 199 GLY B C 4351 O O . GLY B 204 ? 0.6604 0.8299 0.7778 -0.0168 -0.0227 0.1127 199 GLY B O 4352 N N . TYR B 205 ? 0.6972 0.8631 0.8215 -0.0193 -0.0181 0.1082 200 TYR B N 4353 C CA . TYR B 205 ? 0.6556 0.8227 0.7692 -0.0180 -0.0142 0.0989 200 TYR B CA 4354 C C . TYR B 205 ? 0.6830 0.8549 0.7878 -0.0169 -0.0067 0.1011 200 TYR B C 4355 O O . TYR B 205 ? 0.7491 0.9227 0.8586 -0.0173 -0.0037 0.1064 200 TYR B O 4356 C CB . TYR B 205 ? 0.6867 0.8480 0.8029 -0.0188 -0.0147 0.0897 200 TYR B CB 4357 C CG . TYR B 205 ? 0.7260 0.8826 0.8484 -0.0188 -0.0206 0.0846 200 TYR B CG 4358 C CD1 . TYR B 205 ? 0.7107 0.8675 0.8378 -0.0179 -0.0261 0.0887 200 TYR B CD1 4359 C CD2 . TYR B 205 ? 0.7405 0.8923 0.8633 -0.0191 -0.0204 0.0759 200 TYR B CD2 4360 C CE1 . TYR B 205 ? 0.7415 0.8942 0.8747 -0.0168 -0.0312 0.0836 200 TYR B CE1 4361 C CE2 . TYR B 205 ? 0.7043 0.8526 0.8324 -0.0184 -0.0248 0.0710 200 TYR B CE2 4362 C CZ . TYR B 205 ? 0.7527 0.9015 0.8864 -0.0169 -0.0302 0.0746 200 TYR B CZ 4363 O OH . TYR B 205 ? 0.7339 0.8793 0.8734 -0.0151 -0.0343 0.0693 200 TYR B OH 4364 N N . TRP B 206 ? 0.6802 0.8542 0.7724 -0.0152 -0.0041 0.0967 201 TRP B N 4365 C CA . TRP B 206 ? 0.5986 0.7749 0.6805 -0.0135 0.0032 0.0958 201 TRP B CA 4366 C C . TRP B 206 ? 0.6363 0.8085 0.7089 -0.0135 0.0046 0.0844 201 TRP B C 4367 O O . TRP B 206 ? 0.7284 0.9017 0.7921 -0.0131 0.0034 0.0805 201 TRP B O 4368 C CB . TRP B 206 ? 0.6164 0.7986 0.6893 -0.0113 0.0060 0.1028 201 TRP B CB 4369 C CG . TRP B 206 ? 0.6000 0.7840 0.6613 -0.0085 0.0140 0.1013 201 TRP B CG 4370 C CD1 . TRP B 206 ? 0.6804 0.8630 0.7260 -0.0066 0.0162 0.0946 201 TRP B CD1 4371 C CD2 . TRP B 206 ? 0.6314 0.8184 0.6960 -0.0069 0.0204 0.1061 201 TRP B CD2 4372 N NE1 . TRP B 206 ? 0.5975 0.7808 0.6354 -0.0034 0.0240 0.0947 201 TRP B NE1 4373 C CE2 . TRP B 206 ? 0.5417 0.7285 0.5917 -0.0032 0.0270 0.1019 201 TRP B CE2 4374 C CE3 . TRP B 206 ? 0.6826 0.8727 0.7620 -0.0081 0.0209 0.1134 201 TRP B CE3 4375 C CZ2 . TRP B 206 ? 0.5478 0.7379 0.5976 0.0000 0.0346 0.1050 201 TRP B CZ2 4376 C CZ3 . TRP B 206 ? 0.6423 0.8370 0.7226 -0.0055 0.0280 0.1168 201 TRP B CZ3 4377 C CH2 . TRP B 206 ? 0.6032 0.7982 0.6690 -0.0010 0.0351 0.1126 201 TRP B CH2 4378 N N . ILE B 207 ? 0.5888 0.7562 0.6638 -0.0142 0.0067 0.0795 202 ILE B N 4379 C CA . ILE B 207 ? 0.5674 0.7296 0.6362 -0.0153 0.0076 0.0692 202 ILE B CA 4380 C C . ILE B 207 ? 0.5769 0.7358 0.6354 -0.0136 0.0143 0.0661 202 ILE B C 4381 O O . ILE B 207 ? 0.6663 0.8224 0.7277 -0.0127 0.0171 0.0670 202 ILE B O 4382 C CB . ILE B 207 ? 0.5491 0.7064 0.6268 -0.0173 0.0048 0.0653 202 ILE B CB 4383 C CG1 . ILE B 207 ? 0.5126 0.6719 0.6012 -0.0181 -0.0016 0.0690 202 ILE B CG1 4384 C CG2 . ILE B 207 ? 0.5614 0.7146 0.6340 -0.0192 0.0056 0.0555 202 ILE B CG2 4385 C CD1 . ILE B 207 ? 0.5908 0.7450 0.6870 -0.0194 -0.0044 0.0647 202 ILE B CD1 4386 N N . GLU B 208 ? 0.5799 0.7386 0.6261 -0.0128 0.0161 0.0621 203 GLU B N 4387 C CA . GLU B 208 ? 0.5549 0.7090 0.5896 -0.0105 0.0223 0.0585 203 GLU B CA 4388 C C . GLU B 208 ? 0.6569 0.8022 0.6874 -0.0131 0.0230 0.0490 203 GLU B C 4389 O O . GLU B 208 ? 0.5485 0.6932 0.5808 -0.0167 0.0190 0.0437 203 GLU B O 4390 C CB . GLU B 208 ? 0.5739 0.7306 0.5952 -0.0082 0.0240 0.0586 203 GLU B CB 4391 C CG . GLU B 208 ? 0.6142 0.7796 0.6374 -0.0057 0.0243 0.0687 203 GLU B CG 4392 C CD . GLU B 208 ? 0.7624 0.9296 0.7694 -0.0025 0.0270 0.0686 203 GLU B CD 4393 O OE1 . GLU B 208 ? 0.8750 1.0490 0.8809 0.0001 0.0291 0.0773 203 GLU B OE1 4394 O OE2 . GLU B 208 ? 0.7757 0.9370 0.7704 -0.0029 0.0269 0.0597 203 GLU B OE2 4395 N N . SER B 209 ? 0.7359 0.8746 0.7614 -0.0111 0.0282 0.0472 204 SER B N 4396 C CA . SER B 209 ? 0.6654 0.7940 0.6853 -0.0134 0.0297 0.0390 204 SER B CA 4397 C C . SER B 209 ? 0.7311 0.8523 0.7377 -0.0100 0.0354 0.0360 204 SER B C 4398 O O . SER B 209 ? 0.8553 0.9794 0.8597 -0.0048 0.0392 0.0410 204 SER B O 4399 C CB . SER B 209 ? 0.7128 0.8375 0.7412 -0.0146 0.0295 0.0397 204 SER B CB 4400 O OG . SER B 209 ? 0.7173 0.8437 0.7498 -0.0106 0.0318 0.0462 204 SER B OG 4401 N N . GLU B 210 ? 0.6910 0.8025 0.6893 -0.0128 0.0361 0.0279 205 GLU B N 4402 C CA . GLU B 210 ? 0.6313 0.7332 0.6155 -0.0098 0.0408 0.0235 205 GLU B CA 4403 C C . GLU B 210 ? 0.7665 0.8547 0.7470 -0.0124 0.0428 0.0178 205 GLU B C 4404 O O . GLU B 210 ? 0.7278 0.8148 0.7158 -0.0170 0.0408 0.0168 205 GLU B O 4405 C CB . GLU B 210 ? 0.7042 0.8066 0.6772 -0.0108 0.0389 0.0186 205 GLU B CB 4406 C CG . GLU B 210 ? 0.7294 0.8314 0.7045 -0.0182 0.0334 0.0122 205 GLU B CG 4407 C CD . GLU B 210 ? 0.8270 0.9294 0.7907 -0.0192 0.0303 0.0069 205 GLU B CD 4408 O OE1 . GLU B 210 ? 0.8479 0.9515 0.8142 -0.0253 0.0252 0.0017 205 GLU B OE1 4409 O OE2 . GLU B 210 ? 0.8606 0.9625 0.8126 -0.0139 0.0330 0.0080 205 GLU B OE2 4410 N N . LYS B 211 ? 0.7717 0.8488 0.7398 -0.0092 0.0472 0.0140 206 LYS B N 4411 C CA . LYS B 211 ? 0.7618 0.8237 0.7248 -0.0112 0.0495 0.0092 206 LYS B CA 4412 C C . LYS B 211 ? 0.8348 0.8856 0.7849 -0.0146 0.0492 0.0002 206 LYS B C 4413 O O . LYS B 211 ? 0.8921 0.9361 0.8298 -0.0097 0.0521 -0.0026 206 LYS B O 4414 C CB . LYS B 211 ? 0.8057 0.8613 0.7662 -0.0038 0.0546 0.0129 206 LYS B CB 4415 C CG . LYS B 211 ? 0.7699 0.8079 0.7238 -0.0048 0.0572 0.0090 206 LYS B CG 4416 C CD . LYS B 211 ? 0.7379 0.7741 0.6991 -0.0121 0.0547 0.0086 206 LYS B CD 4417 C CE . LYS B 211 ? 0.9024 0.9232 0.8590 -0.0111 0.0578 0.0087 206 LYS B CE 4418 N NZ . LYS B 211 ? 0.9057 0.9095 0.8483 -0.0098 0.0610 0.0029 206 LYS B NZ 4419 N N . ASN B 212 ? 0.8450 0.8941 0.7984 -0.0229 0.0458 -0.0045 207 ASN B N 4420 C CA . ASN B 212 ? 0.9236 0.9631 0.8675 -0.0281 0.0442 -0.0132 207 ASN B CA 4421 C C . ASN B 212 ? 1.0288 1.0603 0.9776 -0.0361 0.0442 -0.0163 207 ASN B C 4422 O O . ASN B 212 ? 1.1614 1.2022 1.1209 -0.0423 0.0408 -0.0167 207 ASN B O 4423 C CB . ASN B 212 ? 0.9471 0.9985 0.8919 -0.0310 0.0384 -0.0156 207 ASN B CB 4424 C CG . ASN B 212 ? 1.1441 1.1859 1.0754 -0.0339 0.0362 -0.0246 207 ASN B CG 4425 O OD1 . ASN B 212 ? 1.1460 1.1732 1.0722 -0.0384 0.0373 -0.0304 207 ASN B OD1 4426 N ND2 . ASN B 212 ? 1.2548 1.3042 1.1795 -0.0316 0.0328 -0.0256 207 ASN B ND2 4427 N N . ASP B 213 ? 1.0220 1.0364 0.9628 -0.0353 0.0485 -0.0180 208 ASP B N 4428 C CA . ASP B 213 ? 1.1189 1.1239 1.0632 -0.0414 0.0503 -0.0185 208 ASP B CA 4429 C C . ASP B 213 ? 1.0165 1.0296 0.9714 -0.0393 0.0514 -0.0111 208 ASP B C 4430 O O . ASP B 213 ? 1.0170 1.0202 0.9692 -0.0364 0.0550 -0.0079 208 ASP B O 4431 C CB . ASP B 213 ? 1.0967 1.1038 1.0461 -0.0522 0.0469 -0.0242 208 ASP B CB 4432 C CG . ASP B 213 ? 1.3099 1.3061 1.2482 -0.0555 0.0450 -0.0325 208 ASP B CG 4433 O OD1 . ASP B 213 ? 1.4194 1.4226 1.3624 -0.0629 0.0402 -0.0373 208 ASP B OD1 4434 O OD2 . ASP B 213 ? 1.1612 1.1418 1.0861 -0.0506 0.0479 -0.0345 208 ASP B OD2 4435 N N . THR B 214 ? 0.8111 0.8413 0.7775 -0.0405 0.0479 -0.0085 209 THR B N 4436 C CA . THR B 214 ? 0.8667 0.9049 0.8425 -0.0378 0.0480 -0.0019 209 THR B CA 4437 C C . THR B 214 ? 0.7389 0.7913 0.7201 -0.0321 0.0454 0.0028 209 THR B C 4438 O O . THR B 214 ? 0.7850 0.8437 0.7643 -0.0317 0.0431 0.0010 209 THR B O 4439 C CB . THR B 214 ? 0.7852 0.8299 0.7713 -0.0447 0.0466 -0.0027 209 THR B CB 4440 O OG1 . THR B 214 ? 0.7858 0.8460 0.7807 -0.0463 0.0419 -0.0035 209 THR B OG1 4441 C CG2 . THR B 214 ? 0.7302 0.7641 0.7126 -0.0524 0.0489 -0.0080 209 THR B CG2 4442 N N . TRP B 215 ? 0.6843 0.7413 0.6719 -0.0280 0.0455 0.0091 210 TRP B N 4443 C CA . TRP B 215 ? 0.6275 0.6987 0.6232 -0.0245 0.0425 0.0143 210 TRP B CA 4444 C C . TRP B 215 ? 0.7062 0.7877 0.7109 -0.0296 0.0381 0.0127 210 TRP B C 4445 O O . TRP B 215 ? 0.7152 0.7953 0.7239 -0.0343 0.0379 0.0101 210 TRP B O 4446 C CB . TRP B 215 ? 0.5501 0.6233 0.5518 -0.0200 0.0427 0.0209 210 TRP B CB 4447 C CG . TRP B 215 ? 0.6675 0.7376 0.6643 -0.0130 0.0459 0.0245 210 TRP B CG 4448 C CD1 . TRP B 215 ? 0.5870 0.6454 0.5773 -0.0098 0.0494 0.0246 210 TRP B CD1 4449 C CD2 . TRP B 215 ? 0.6244 0.7039 0.6230 -0.0080 0.0463 0.0288 210 TRP B CD2 4450 N NE1 . TRP B 215 ? 0.6221 0.6828 0.6110 -0.0025 0.0518 0.0283 210 TRP B NE1 4451 C CE2 . TRP B 215 ? 0.6674 0.7413 0.6614 -0.0015 0.0504 0.0310 210 TRP B CE2 4452 C CE3 . TRP B 215 ? 0.6563 0.7482 0.6598 -0.0080 0.0437 0.0314 210 TRP B CE3 4453 C CZ2 . TRP B 215 ? 0.6688 0.7507 0.6639 0.0047 0.0528 0.0356 210 TRP B CZ2 4454 C CZ3 . TRP B 215 ? 0.6541 0.7528 0.6574 -0.0023 0.0461 0.0364 210 TRP B CZ3 4455 C CH2 . TRP B 215 ? 0.7037 0.7981 0.7032 0.0039 0.0509 0.0384 210 TRP B CH2 4456 N N . ARG B 216 ? 0.6907 0.7828 0.6984 -0.0282 0.0348 0.0144 211 ARG B N 4457 C CA . ARG B 216 ? 0.6753 0.7772 0.6910 -0.0322 0.0301 0.0126 211 ARG B CA 4458 C C . ARG B 216 ? 0.6945 0.8078 0.7145 -0.0289 0.0264 0.0176 211 ARG B C 4459 O O . ARG B 216 ? 0.6797 0.7937 0.6951 -0.0242 0.0281 0.0218 211 ARG B O 4460 C CB . ARG B 216 ? 0.7500 0.8491 0.7606 -0.0374 0.0293 0.0052 211 ARG B CB 4461 C CG . ARG B 216 ? 0.6829 0.7823 0.6836 -0.0352 0.0282 0.0037 211 ARG B CG 4462 C CD . ARG B 216 ? 0.7459 0.8396 0.7398 -0.0406 0.0271 -0.0044 211 ARG B CD 4463 N NE . ARG B 216 ? 0.8359 0.9290 0.8179 -0.0379 0.0257 -0.0063 211 ARG B NE 4464 C CZ . ARG B 216 ? 0.9235 1.0083 0.8951 -0.0410 0.0249 -0.0136 211 ARG B CZ 4465 N NH1 . ARG B 216 ? 0.9298 1.0141 0.8890 -0.0376 0.0236 -0.0154 211 ARG B NH1 4466 N NH2 . ARG B 216 ? 0.9552 1.0318 0.9280 -0.0477 0.0256 -0.0192 211 ARG B NH2 4467 N N . LEU B 217 ? 0.6936 0.8158 0.7225 -0.0313 0.0217 0.0173 212 LEU B N 4468 C CA . LEU B 217 ? 0.6402 0.7724 0.6730 -0.0287 0.0175 0.0222 212 LEU B CA 4469 C C . LEU B 217 ? 0.7327 0.8662 0.7550 -0.0283 0.0164 0.0200 212 LEU B C 4470 O O . LEU B 217 ? 0.7094 0.8416 0.7282 -0.0322 0.0147 0.0133 212 LEU B O 4471 C CB . LEU B 217 ? 0.6156 0.7557 0.6607 -0.0308 0.0124 0.0221 212 LEU B CB 4472 C CG . LEU B 217 ? 0.6660 0.8148 0.7169 -0.0279 0.0076 0.0284 212 LEU B CG 4473 C CD1 . LEU B 217 ? 0.6318 0.7795 0.6850 -0.0243 0.0093 0.0361 212 LEU B CD1 4474 C CD2 . LEU B 217 ? 0.6365 0.7916 0.6995 -0.0294 0.0028 0.0272 212 LEU B CD2 4475 N N . LYS B 218 ? 0.7193 0.8555 0.7363 -0.0236 0.0174 0.0256 213 LYS B N 4476 C CA . LYS B 218 ? 0.7571 0.8944 0.7619 -0.0222 0.0165 0.0240 213 LYS B CA 4477 C C . LYS B 218 ? 0.7308 0.8786 0.7401 -0.0224 0.0100 0.0271 213 LYS B C 4478 O O . LYS B 218 ? 0.7214 0.8715 0.7274 -0.0250 0.0054 0.0221 213 LYS B O 4479 C CB . LYS B 218 ? 0.7224 0.8577 0.7179 -0.0165 0.0221 0.0287 213 LYS B CB 4480 C CG . LYS B 218 ? 0.7734 0.9098 0.7539 -0.0140 0.0218 0.0273 213 LYS B CG 4481 C CD . LYS B 218 ? 0.8071 0.9435 0.7800 -0.0076 0.0285 0.0329 213 LYS B CD 4482 C CE . LYS B 218 ? 0.8541 0.9910 0.8097 -0.0045 0.0289 0.0313 213 LYS B CE 4483 N NZ . LYS B 218 ? 1.0324 1.1707 0.9810 0.0025 0.0365 0.0370 213 LYS B NZ 4484 N N . ARG B 219 ? 0.7341 0.8877 0.7513 -0.0197 0.0093 0.0358 214 ARG B N 4485 C CA . ARG B 219 ? 0.7435 0.9057 0.7670 -0.0195 0.0029 0.0401 214 ARG B CA 4486 C C . ARG B 219 ? 0.6989 0.8639 0.7342 -0.0177 0.0028 0.0488 214 ARG B C 4487 O O . ARG B 219 ? 0.7248 0.8867 0.7616 -0.0163 0.0077 0.0520 214 ARG B O 4488 C CB . ARG B 219 ? 0.9020 1.0677 0.9125 -0.0169 0.0014 0.0423 214 ARG B CB 4489 C CG . ARG B 219 ? 0.8411 1.0079 0.8459 -0.0123 0.0065 0.0510 214 ARG B CG 4490 C CD . ARG B 219 ? 0.8667 1.0394 0.8622 -0.0098 0.0036 0.0561 214 ARG B CD 4491 N NE . ARG B 219 ? 0.9796 1.1574 0.9819 -0.0074 0.0046 0.0679 214 ARG B NE 4492 C CZ . ARG B 219 ? 0.9492 1.1282 0.9473 -0.0042 0.0116 0.0746 214 ARG B CZ 4493 N NH1 . ARG B 219 ? 0.9894 1.1643 0.9757 -0.0018 0.0182 0.0703 214 ARG B NH1 4494 N NH2 . ARG B 219 ? 0.8566 1.0406 0.8629 -0.0032 0.0120 0.0857 214 ARG B NH2 4495 N N . ALA B 220 ? 0.6657 0.8363 0.7099 -0.0178 -0.0031 0.0524 215 ALA B N 4496 C CA . ALA B 220 ? 0.6789 0.8506 0.7348 -0.0168 -0.0043 0.0602 215 ALA B CA 4497 C C . ALA B 220 ? 0.6697 0.8469 0.7283 -0.0151 -0.0099 0.0672 215 ALA B C 4498 O O . ALA B 220 ? 0.7147 0.8954 0.7722 -0.0154 -0.0151 0.0642 215 ALA B O 4499 C CB . ALA B 220 ? 0.5947 0.7634 0.6623 -0.0189 -0.0058 0.0559 215 ALA B CB 4500 N N . HIS B 221 ? 0.5514 0.7295 0.6137 -0.0137 -0.0090 0.0769 216 HIS B N 4501 C CA . HIS B 221 ? 0.5862 0.7679 0.6517 -0.0123 -0.0142 0.0850 216 HIS B CA 4502 C C . HIS B 221 ? 0.6384 0.8174 0.7193 -0.0131 -0.0174 0.0894 216 HIS B C 4503 O O . HIS B 221 ? 0.6643 0.8415 0.7503 -0.0137 -0.0143 0.0947 216 HIS B O 4504 C CB . HIS B 221 ? 0.5814 0.7664 0.6370 -0.0102 -0.0106 0.0939 216 HIS B CB 4505 C CG . HIS B 221 ? 0.6494 0.8375 0.7039 -0.0087 -0.0160 0.1018 216 HIS B CG 4506 N ND1 . HIS B 221 ? 0.8393 1.0290 0.8934 -0.0081 -0.0233 0.0981 216 HIS B ND1 4507 C CD2 . HIS B 221 ? 0.7853 0.9755 0.8394 -0.0076 -0.0151 0.1138 216 HIS B CD2 4508 C CE1 . HIS B 221 ? 0.7572 0.9489 0.8098 -0.0063 -0.0272 0.1075 216 HIS B CE1 4509 N NE2 . HIS B 221 ? 0.8557 1.0473 0.9079 -0.0062 -0.0221 0.1173 216 HIS B NE2 4510 N N . LEU B 222 ? 0.6702 0.8489 0.7588 -0.0129 -0.0239 0.0869 217 LEU B N 4511 C CA . LEU B 222 ? 0.6492 0.8238 0.7514 -0.0130 -0.0279 0.0900 217 LEU B CA 4512 C C . LEU B 222 ? 0.7630 0.9384 0.8678 -0.0112 -0.0334 0.0993 217 LEU B C 4513 O O . LEU B 222 ? 0.8235 1.0027 0.9242 -0.0093 -0.0375 0.0988 217 LEU B O 4514 C CB . LEU B 222 ? 0.6099 0.7825 0.7195 -0.0132 -0.0306 0.0803 217 LEU B CB 4515 C CG . LEU B 222 ? 0.6436 0.8148 0.7499 -0.0152 -0.0253 0.0710 217 LEU B CG 4516 C CD1 . LEU B 222 ? 0.5432 0.7118 0.6584 -0.0153 -0.0272 0.0637 217 LEU B CD1 4517 C CD2 . LEU B 222 ? 0.6378 0.8056 0.7411 -0.0165 -0.0197 0.0737 217 LEU B CD2 4518 N N . ILE B 223 ? 0.8147 0.9864 0.9265 -0.0121 -0.0338 0.1081 218 ILE B N 4519 C CA . ILE B 223 ? 0.7624 0.9332 0.8767 -0.0109 -0.0385 0.1186 218 ILE B CA 4520 C C . ILE B 223 ? 0.7639 0.9272 0.8917 -0.0105 -0.0451 0.1181 218 ILE B C 4521 O O . ILE B 223 ? 0.8171 0.9772 0.9491 -0.0092 -0.0504 0.1255 218 ILE B O 4522 C CB . ILE B 223 ? 0.9435 1.1155 1.0560 -0.0127 -0.0339 0.1304 218 ILE B CB 4523 C CG1 . ILE B 223 ? 1.0198 1.1959 1.1225 -0.0107 -0.0346 0.1395 218 ILE B CG1 4524 C CG2 . ILE B 223 ? 1.0057 1.1714 1.1324 -0.0155 -0.0360 0.1362 218 ILE B CG2 4525 C CD1 . ILE B 223 ? 0.9795 1.1622 1.0656 -0.0089 -0.0303 0.1349 218 ILE B CD1 4526 N N . GLU B 224 ? 0.8408 1.0008 0.9742 -0.0114 -0.0444 0.1089 219 GLU B N 4527 C CA . GLU B 224 ? 0.8147 0.9668 0.9593 -0.0105 -0.0497 0.1059 219 GLU B CA 4528 C C . GLU B 224 ? 0.6477 0.8001 0.7930 -0.0099 -0.0480 0.0931 219 GLU B C 4529 O O . GLU B 224 ? 0.7663 0.9230 0.9046 -0.0115 -0.0424 0.0880 219 GLU B O 4530 C CB . GLU B 224 ? 0.8307 0.9755 0.9829 -0.0136 -0.0503 0.1120 219 GLU B CB 4531 C CG . GLU B 224 ? 0.8599 1.0061 1.0101 -0.0166 -0.0442 0.1093 219 GLU B CG 4532 C CD . GLU B 224 ? 0.8337 0.9748 0.9925 -0.0201 -0.0454 0.1164 219 GLU B CD 4533 O OE1 . GLU B 224 ? 0.9753 1.1106 1.1415 -0.0208 -0.0508 0.1234 219 GLU B OE1 4534 O OE2 . GLU B 224 ? 1.0710 1.2137 1.2296 -0.0224 -0.0413 0.1150 219 GLU B OE2 4535 N N . MET B 225 ? 0.7110 0.8584 0.8641 -0.0075 -0.0525 0.0881 220 MET B N 4536 C CA . MET B 225 ? 0.7316 0.8791 0.8858 -0.0069 -0.0501 0.0766 220 MET B CA 4537 C C . MET B 225 ? 0.6563 0.7933 0.8169 -0.0069 -0.0522 0.0743 220 MET B C 4538 O O . MET B 225 ? 0.7538 0.8857 0.9211 -0.0035 -0.0568 0.0716 220 MET B O 4539 C CB . MET B 225 ? 0.7898 0.9433 0.9470 -0.0032 -0.0527 0.0706 220 MET B CB 4540 C CG . MET B 225 ? 0.8950 1.0563 1.0489 -0.0017 -0.0555 0.0757 220 MET B CG 4541 S SD . MET B 225 ? 0.8115 0.9805 0.9516 -0.0053 -0.0499 0.0773 220 MET B SD 4542 C CE . MET B 225 ? 0.5515 0.7222 0.6894 -0.0080 -0.0433 0.0654 220 MET B CE 4543 N N . LYS B 226 ? 0.7199 0.8533 0.8782 -0.0104 -0.0491 0.0751 221 LYS B N 4544 C CA . LYS B 226 ? 0.7387 0.8616 0.9017 -0.0109 -0.0518 0.0728 221 LYS B CA 4545 C C . LYS B 226 ? 0.7036 0.8251 0.8628 -0.0102 -0.0483 0.0619 221 LYS B C 4546 O O . LYS B 226 ? 0.7133 0.8419 0.8666 -0.0106 -0.0428 0.0574 221 LYS B O 4547 C CB . LYS B 226 ? 0.7558 0.8759 0.9199 -0.0152 -0.0517 0.0805 221 LYS B CB 4548 C CG . LYS B 226 ? 0.7105 0.8385 0.8677 -0.0177 -0.0450 0.0822 221 LYS B CG 4549 C CD . LYS B 226 ? 0.7155 0.8421 0.8771 -0.0213 -0.0454 0.0905 221 LYS B CD 4550 C CE . LYS B 226 ? 0.6331 0.7670 0.7887 -0.0227 -0.0386 0.0916 221 LYS B CE 4551 N NZ . LYS B 226 ? 0.7699 0.9127 0.9196 -0.0220 -0.0342 0.0966 221 LYS B NZ 4552 N N . THR B 227 ? 0.6548 0.7664 0.8169 -0.0092 -0.0515 0.0577 222 THR B N 4553 C CA . THR B 227 ? 0.6264 0.7357 0.7843 -0.0076 -0.0484 0.0474 222 THR B CA 4554 C C . THR B 227 ? 0.6900 0.7911 0.8441 -0.0100 -0.0486 0.0458 222 THR B C 4555 O O . THR B 227 ? 0.7063 0.8017 0.8566 -0.0082 -0.0479 0.0379 222 THR B O 4556 C CB . THR B 227 ? 0.7805 0.8854 0.9433 -0.0024 -0.0516 0.0414 222 THR B CB 4557 O OG1 . THR B 227 ? 0.8032 0.8961 0.9711 -0.0016 -0.0588 0.0443 222 THR B OG1 4558 C CG2 . THR B 227 ? 0.7463 0.8606 0.9136 0.0005 -0.0519 0.0425 222 THR B CG2 4559 N N . CYS B 228 ? 0.6215 0.7226 0.7768 -0.0138 -0.0498 0.0534 223 CYS B N 4560 C CA . CYS B 228 ? 0.5836 0.6790 0.7362 -0.0163 -0.0506 0.0526 223 CYS B CA 4561 C C . CYS B 228 ? 0.5806 0.6815 0.7241 -0.0171 -0.0433 0.0494 223 CYS B C 4562 O O . CYS B 228 ? 0.6200 0.7285 0.7598 -0.0165 -0.0380 0.0482 223 CYS B O 4563 C CB . CYS B 228 ? 0.6895 0.7841 0.8494 -0.0201 -0.0548 0.0625 223 CYS B CB 4564 S SG . CYS B 228 ? 0.7361 0.8437 0.8973 -0.0222 -0.0499 0.0728 223 CYS B SG 4565 N N . GLU B 229 ? 0.6783 0.7745 0.8178 -0.0186 -0.0437 0.0480 224 GLU B N 4566 C CA . GLU B 229 ? 0.6888 0.7879 0.8188 -0.0189 -0.0372 0.0450 224 GLU B CA 4567 C C . GLU B 229 ? 0.7167 0.8211 0.8478 -0.0213 -0.0356 0.0523 224 GLU B C 4568 O O . GLU B 229 ? 0.7414 0.8431 0.8769 -0.0230 -0.0401 0.0562 224 GLU B O 4569 C CB . GLU B 229 ? 0.7535 0.8438 0.8758 -0.0178 -0.0380 0.0377 224 GLU B CB 4570 C CG . GLU B 229 ? 0.9078 0.9941 1.0273 -0.0146 -0.0372 0.0295 224 GLU B CG 4571 C CD . GLU B 229 ? 0.9294 1.0076 1.0383 -0.0132 -0.0363 0.0224 224 GLU B CD 4572 O OE1 . GLU B 229 ? 0.9789 1.0533 1.0832 -0.0147 -0.0381 0.0241 224 GLU B OE1 4573 O OE2 . GLU B 229 ? 0.8715 0.9476 0.9765 -0.0102 -0.0337 0.0153 224 GLU B OE2 4574 N N . TRP B 230 ? 0.6570 0.7690 0.7842 -0.0213 -0.0293 0.0538 225 TRP B N 4575 C CA . TRP B 230 ? 0.4922 0.6096 0.6192 -0.0224 -0.0263 0.0600 225 TRP B CA 4576 C C . TRP B 230 ? 0.5742 0.6872 0.6959 -0.0223 -0.0257 0.0579 225 TRP B C 4577 O O . TRP B 230 ? 0.5220 0.6318 0.6341 -0.0213 -0.0215 0.0520 225 TRP B O 4578 C CB . TRP B 230 ? 0.5688 0.6929 0.6899 -0.0217 -0.0196 0.0599 225 TRP B CB 4579 C CG . TRP B 230 ? 0.5301 0.6606 0.6517 -0.0218 -0.0162 0.0668 225 TRP B CG 4580 C CD1 . TRP B 230 ? 0.5575 0.6880 0.6767 -0.0214 -0.0137 0.0684 225 TRP B CD1 4581 C CD2 . TRP B 230 ? 0.4726 0.6105 0.5964 -0.0218 -0.0146 0.0730 225 TRP B CD2 4582 N NE1 . TRP B 230 ? 0.6001 0.7382 0.7210 -0.0207 -0.0102 0.0750 225 TRP B NE1 4583 C CE2 . TRP B 230 ? 0.5339 0.6765 0.6568 -0.0211 -0.0105 0.0779 225 TRP B CE2 4584 C CE3 . TRP B 230 ? 0.4928 0.6340 0.6188 -0.0217 -0.0164 0.0751 225 TRP B CE3 4585 C CZ2 . TRP B 230 ? 0.5307 0.6811 0.6539 -0.0204 -0.0072 0.0846 225 TRP B CZ2 4586 C CZ3 . TRP B 230 ? 0.5686 0.7169 0.6942 -0.0214 -0.0139 0.0821 225 TRP B CZ3 4587 C CH2 . TRP B 230 ? 0.6500 0.8029 0.7738 -0.0208 -0.0090 0.0866 225 TRP B CH2 4588 N N . PRO B 231 ? 0.6457 0.7591 0.7744 -0.0235 -0.0300 0.0634 226 PRO B N 4589 C CA . PRO B 231 ? 0.6013 0.7108 0.7266 -0.0232 -0.0315 0.0623 226 PRO B CA 4590 C C . PRO B 231 ? 0.5875 0.6998 0.7045 -0.0214 -0.0244 0.0621 226 PRO B C 4591 O O . PRO B 231 ? 0.5573 0.6769 0.6755 -0.0209 -0.0194 0.0662 226 PRO B O 4592 C CB . PRO B 231 ? 0.6394 0.7526 0.7778 -0.0255 -0.0376 0.0699 226 PRO B CB 4593 C CG . PRO B 231 ? 0.6183 0.7397 0.7646 -0.0265 -0.0354 0.0768 226 PRO B CG 4594 C CD . PRO B 231 ? 0.6229 0.7415 0.7641 -0.0255 -0.0337 0.0719 226 PRO B CD 4595 N N . LYS B 232 ? 0.6060 0.7114 0.7136 -0.0202 -0.0239 0.0574 227 LYS B N 4596 C CA . LYS B 232 ? 0.5606 0.6658 0.6592 -0.0182 -0.0176 0.0570 227 LYS B CA 4597 C C . LYS B 232 ? 0.6323 0.7438 0.7376 -0.0170 -0.0181 0.0641 227 LYS B C 4598 O O . LYS B 232 ? 0.7266 0.8401 0.8271 -0.0148 -0.0123 0.0654 227 LYS B O 4599 C CB . LYS B 232 ? 0.6574 0.7527 0.7437 -0.0172 -0.0174 0.0510 227 LYS B CB 4600 C CG . LYS B 232 ? 0.7586 0.8483 0.8394 -0.0179 -0.0171 0.0439 227 LYS B CG 4601 C CD . LYS B 232 ? 0.7271 0.8073 0.7945 -0.0168 -0.0159 0.0390 227 LYS B CD 4602 C CE . LYS B 232 ? 0.6950 0.7704 0.7579 -0.0169 -0.0157 0.0321 227 LYS B CE 4603 N NZ . LYS B 232 ? 0.7357 0.8017 0.7843 -0.0156 -0.0144 0.0280 227 LYS B NZ 4604 N N . SER B 233 ? 0.6690 0.7836 0.7859 -0.0185 -0.0252 0.0686 228 SER B N 4605 C CA . SER B 233 ? 0.5758 0.6989 0.7027 -0.0178 -0.0261 0.0760 228 SER B CA 4606 C C . SER B 233 ? 0.5703 0.7033 0.7011 -0.0168 -0.0191 0.0812 228 SER B C 4607 O O . SER B 233 ? 0.6237 0.7630 0.7567 -0.0140 -0.0152 0.0854 228 SER B O 4608 C CB . SER B 233 ? 0.5354 0.6610 0.6765 -0.0210 -0.0354 0.0802 228 SER B CB 4609 O OG . SER B 233 ? 0.6268 0.7553 0.7762 -0.0240 -0.0365 0.0829 228 SER B OG 4610 N N . HIS B 234 ? 0.6029 0.7369 0.7338 -0.0185 -0.0175 0.0806 229 HIS B N 4611 C CA . HIS B 234 ? 0.5508 0.6933 0.6831 -0.0175 -0.0112 0.0851 229 HIS B CA 4612 C C . HIS B 234 ? 0.5843 0.7226 0.7029 -0.0161 -0.0052 0.0788 229 HIS B C 4613 O O . HIS B 234 ? 0.5720 0.7146 0.6895 -0.0164 -0.0022 0.0801 229 HIS B O 4614 C CB . HIS B 234 ? 0.6024 0.7501 0.7458 -0.0206 -0.0147 0.0908 229 HIS B CB 4615 C CG . HIS B 234 ? 0.7243 0.8772 0.8830 -0.0230 -0.0203 0.0980 229 HIS B CG 4616 N ND1 . HIS B 234 ? 0.6814 0.8284 0.8442 -0.0248 -0.0281 0.0958 229 HIS B ND1 4617 C CD2 . HIS B 234 ? 0.7113 0.8750 0.8825 -0.0243 -0.0193 0.1076 229 HIS B CD2 4618 C CE1 . HIS B 234 ? 0.6397 0.7937 0.8180 -0.0275 -0.0324 0.1034 229 HIS B CE1 4619 N NE2 . HIS B 234 ? 0.6968 0.8614 0.8811 -0.0274 -0.0268 0.1110 229 HIS B NE2 4620 N N . THR B 235 ? 0.5242 0.6542 0.6323 -0.0150 -0.0037 0.0723 230 THR B N 4621 C CA . THR B 235 ? 0.5384 0.6638 0.6344 -0.0147 0.0017 0.0660 230 THR B CA 4622 C C . THR B 235 ? 0.6063 0.7269 0.6927 -0.0119 0.0068 0.0640 230 THR B C 4623 O O . THR B 235 ? 0.5939 0.7111 0.6802 -0.0104 0.0049 0.0650 230 THR B O 4624 C CB . THR B 235 ? 0.5920 0.7106 0.6843 -0.0169 -0.0009 0.0592 230 THR B CB 4625 O OG1 . THR B 235 ? 0.6242 0.7456 0.7261 -0.0187 -0.0066 0.0611 230 THR B OG1 4626 C CG2 . THR B 235 ? 0.5474 0.6642 0.6310 -0.0176 0.0042 0.0536 230 THR B CG2 4627 N N . LEU B 236 ? 0.5920 0.7115 0.6699 -0.0111 0.0128 0.0613 231 LEU B N 4628 C CA . LEU B 236 ? 0.5138 0.6266 0.5814 -0.0084 0.0179 0.0590 231 LEU B CA 4629 C C . LEU B 236 ? 0.6136 0.7158 0.6709 -0.0106 0.0194 0.0520 231 LEU B C 4630 O O . LEU B 236 ? 0.5973 0.6995 0.6539 -0.0140 0.0191 0.0479 231 LEU B O 4631 C CB . LEU B 236 ? 0.5924 0.7084 0.6555 -0.0062 0.0236 0.0596 231 LEU B CB 4632 C CG . LEU B 236 ? 0.6306 0.7579 0.7025 -0.0036 0.0242 0.0670 231 LEU B CG 4633 C CD1 . LEU B 236 ? 0.5878 0.7182 0.6532 -0.0026 0.0289 0.0661 231 LEU B CD1 4634 C CD2 . LEU B 236 ? 0.5924 0.7207 0.6671 0.0011 0.0258 0.0710 231 LEU B CD2 4635 N N . TRP B 237 ? 0.6043 0.6979 0.6541 -0.0086 0.0213 0.0511 232 TRP B N 4636 C CA . TRP B 237 ? 0.6163 0.6990 0.6550 -0.0108 0.0242 0.0455 232 TRP B CA 4637 C C . TRP B 237 ? 0.6658 0.7482 0.7061 -0.0147 0.0213 0.0419 232 TRP B C 4638 O O . TRP B 237 ? 0.6363 0.7198 0.6758 -0.0180 0.0233 0.0376 232 TRP B O 4639 C CB . TRP B 237 ? 0.5994 0.6790 0.6309 -0.0120 0.0298 0.0417 232 TRP B CB 4640 C CG . TRP B 237 ? 0.6353 0.7022 0.6552 -0.0136 0.0339 0.0376 232 TRP B CG 4641 C CD1 . TRP B 237 ? 0.6611 0.7196 0.6756 -0.0139 0.0336 0.0373 232 TRP B CD1 4642 C CD2 . TRP B 237 ? 0.6702 0.7305 0.6818 -0.0154 0.0388 0.0335 232 TRP B CD2 4643 N NE1 . TRP B 237 ? 0.7296 0.7768 0.7334 -0.0160 0.0385 0.0340 232 TRP B NE1 4644 C CE2 . TRP B 237 ? 0.6897 0.7375 0.6921 -0.0173 0.0415 0.0314 232 TRP B CE2 4645 C CE3 . TRP B 237 ? 0.6858 0.7489 0.6961 -0.0159 0.0408 0.0313 232 TRP B CE3 4646 C CZ2 . TRP B 237 ? 0.6765 0.7144 0.6701 -0.0201 0.0462 0.0273 232 TRP B CZ2 4647 C CZ3 . TRP B 237 ? 0.7099 0.7630 0.7107 -0.0184 0.0448 0.0265 232 TRP B CZ3 4648 C CH2 . TRP B 237 ? 0.5952 0.6357 0.5885 -0.0208 0.0474 0.0246 232 TRP B CH2 4649 N N . THR B 238 ? 0.6688 0.7501 0.7118 -0.0140 0.0165 0.0433 233 THR B N 4650 C CA . THR B 238 ? 0.6587 0.7403 0.7041 -0.0165 0.0133 0.0399 233 THR B CA 4651 C C . THR B 238 ? 0.6597 0.7315 0.6942 -0.0174 0.0154 0.0358 233 THR B C 4652 O O . THR B 238 ? 0.6269 0.6979 0.6616 -0.0185 0.0132 0.0328 233 THR B O 4653 C CB . THR B 238 ? 0.5970 0.6829 0.6520 -0.0155 0.0057 0.0434 233 THR B CB 4654 O OG1 . THR B 238 ? 0.6214 0.7027 0.6733 -0.0130 0.0029 0.0461 233 THR B OG1 4655 C CG2 . THR B 238 ? 0.5617 0.6578 0.6280 -0.0152 0.0042 0.0484 233 THR B CG2 4656 N N . ASP B 239 ? 0.6756 0.7393 0.6998 -0.0168 0.0201 0.0358 234 ASP B N 4657 C CA . ASP B 239 ? 0.6438 0.6974 0.6562 -0.0177 0.0228 0.0331 234 ASP B CA 4658 C C . ASP B 239 ? 0.7019 0.7520 0.7086 -0.0216 0.0301 0.0292 234 ASP B C 4659 O O . ASP B 239 ? 0.7555 0.8064 0.7629 -0.0226 0.0332 0.0291 234 ASP B O 4660 C CB . ASP B 239 ? 0.7003 0.7454 0.7044 -0.0141 0.0219 0.0368 234 ASP B CB 4661 C CG . ASP B 239 ? 0.7584 0.7993 0.7585 -0.0128 0.0266 0.0387 234 ASP B CG 4662 O OD1 . ASP B 239 ? 0.7693 0.7996 0.7582 -0.0140 0.0318 0.0373 234 ASP B OD1 4663 O OD2 . ASP B 239 ? 0.8084 0.8560 0.8162 -0.0104 0.0255 0.0414 234 ASP B OD2 4664 N N . GLY B 240 ? 0.6142 0.6603 0.6151 -0.0240 0.0329 0.0258 235 GLY B N 4665 C CA . GLY B 240 ? 0.5599 0.6028 0.5563 -0.0286 0.0400 0.0225 235 GLY B CA 4666 C C . GLY B 240 ? 0.6470 0.7004 0.6539 -0.0320 0.0409 0.0191 235 GLY B C 4667 O O . GLY B 240 ? 0.7480 0.8001 0.7539 -0.0356 0.0451 0.0174 235 GLY B O 4668 N N . ILE B 241 ? 0.7274 0.7904 0.7442 -0.0309 0.0365 0.0181 236 ILE B N 4669 C CA . ILE B 241 ? 0.8538 0.9275 0.8812 -0.0334 0.0361 0.0154 236 ILE B CA 4670 C C . ILE B 241 ? 0.8567 0.9360 0.8894 -0.0342 0.0364 0.0116 236 ILE B C 4671 O O . ILE B 241 ? 0.9439 1.0243 0.9792 -0.0310 0.0320 0.0118 236 ILE B O 4672 C CB . ILE B 241 ? 0.8334 0.9145 0.8694 -0.0308 0.0303 0.0184 236 ILE B CB 4673 C CG1 . ILE B 241 ? 0.8636 0.9399 0.8958 -0.0273 0.0283 0.0234 236 ILE B CG1 4674 C CG2 . ILE B 241 ? 0.8991 0.9872 0.9400 -0.0334 0.0312 0.0168 236 ILE B CG2 4675 C CD1 . ILE B 241 ? 0.9351 1.0191 0.9766 -0.0247 0.0226 0.0273 236 ILE B CD1 4676 N N . GLU B 242 ? 0.8430 0.9259 0.8778 -0.0383 0.0413 0.0079 237 GLU B N 4677 C CA . GLU B 242 ? 0.8409 0.9318 0.8832 -0.0385 0.0421 0.0040 237 GLU B CA 4678 C C . GLU B 242 ? 0.8532 0.9546 0.9081 -0.0364 0.0358 0.0040 237 GLU B C 4679 O O . GLU B 242 ? 0.7855 0.8921 0.8453 -0.0381 0.0341 0.0047 237 GLU B O 4680 C CB . GLU B 242 ? 0.8852 0.9796 0.9291 -0.0440 0.0491 0.0006 237 GLU B CB 4681 C CG . GLU B 242 ? 0.9471 1.0502 0.9986 -0.0435 0.0515 -0.0033 237 GLU B CG 4682 C CD . GLU B 242 ? 1.1168 1.2217 1.1680 -0.0491 0.0600 -0.0056 237 GLU B CD 4683 O OE1 . GLU B 242 ? 1.1311 1.2283 1.1719 -0.0493 0.0656 -0.0052 237 GLU B OE1 4684 O OE2 . GLU B 242 ? 1.2152 1.3296 1.2767 -0.0535 0.0609 -0.0076 237 GLU B OE2 4685 N N . GLU B 243 ? 0.7904 0.8936 0.8494 -0.0326 0.0321 0.0032 238 GLU B N 4686 C CA . GLU B 243 ? 0.7240 0.8348 0.7942 -0.0299 0.0255 0.0041 238 GLU B CA 4687 C C . GLU B 243 ? 0.8296 0.9520 0.9102 -0.0321 0.0258 0.0020 238 GLU B C 4688 O O . GLU B 243 ? 0.8607 0.9888 0.9485 -0.0309 0.0205 0.0042 238 GLU B O 4689 C CB . GLU B 243 ? 0.7126 0.8218 0.7849 -0.0258 0.0225 0.0021 238 GLU B CB 4690 C CG . GLU B 243 ? 0.9378 1.0523 1.0213 -0.0228 0.0153 0.0034 238 GLU B CG 4691 C CD . GLU B 243 ? 1.0295 1.1395 1.1136 -0.0185 0.0119 0.0009 238 GLU B CD 4692 O OE1 . GLU B 243 ? 0.9443 1.0596 1.0379 -0.0159 0.0094 -0.0013 238 GLU B OE1 4693 O OE2 . GLU B 243 ? 1.1033 1.2036 1.1779 -0.0175 0.0113 0.0009 238 GLU B OE2 4694 N N . SER B 244 ? 0.7121 0.8383 0.7937 -0.0355 0.0318 -0.0019 239 SER B N 4695 C CA . SER B 244 ? 0.6277 0.7661 0.7204 -0.0380 0.0316 -0.0044 239 SER B CA 4696 C C . SER B 244 ? 0.6779 0.8168 0.7684 -0.0422 0.0311 -0.0031 239 SER B C 4697 O O . SER B 244 ? 0.6524 0.8011 0.7513 -0.0442 0.0290 -0.0048 239 SER B O 4698 C CB . SER B 244 ? 0.6170 0.7608 0.7136 -0.0405 0.0384 -0.0089 239 SER B CB 4699 O OG . SER B 244 ? 0.7092 0.8440 0.7946 -0.0443 0.0452 -0.0088 239 SER B OG 4700 N N . ASP B 245 ? 0.7098 0.8379 0.7888 -0.0431 0.0327 -0.0005 240 ASP B N 4701 C CA . ASP B 245 ? 0.6754 0.8017 0.7501 -0.0462 0.0326 0.0002 240 ASP B CA 4702 C C . ASP B 245 ? 0.6677 0.7963 0.7434 -0.0427 0.0265 0.0040 240 ASP B C 4703 O O . ASP B 245 ? 0.6723 0.8007 0.7443 -0.0442 0.0257 0.0043 240 ASP B O 4704 C CB . ASP B 245 ? 0.6131 0.7262 0.6749 -0.0480 0.0375 0.0012 240 ASP B CB 4705 C CG . ASP B 245 ? 0.8704 0.9814 0.9305 -0.0542 0.0437 -0.0023 240 ASP B CG 4706 O OD1 . ASP B 245 ? 1.0210 1.1416 1.0906 -0.0567 0.0451 -0.0055 240 ASP B OD1 4707 O OD2 . ASP B 245 ? 0.9533 1.0532 1.0033 -0.0565 0.0473 -0.0016 240 ASP B OD2 4708 N N . LEU B 246 ? 0.6384 0.7689 0.7186 -0.0382 0.0223 0.0068 241 LEU B N 4709 C CA . LEU B 246 ? 0.6834 0.8168 0.7657 -0.0352 0.0168 0.0114 241 LEU B CA 4710 C C . LEU B 246 ? 0.6955 0.8394 0.7850 -0.0360 0.0132 0.0102 241 LEU B C 4711 O O . LEU B 246 ? 0.8042 0.9544 0.8996 -0.0384 0.0141 0.0058 241 LEU B O 4712 C CB . LEU B 246 ? 0.5805 0.7126 0.6671 -0.0310 0.0128 0.0148 241 LEU B CB 4713 C CG . LEU B 246 ? 0.5523 0.6744 0.6317 -0.0298 0.0146 0.0164 241 LEU B CG 4714 C CD1 . LEU B 246 ? 0.5666 0.6874 0.6510 -0.0264 0.0092 0.0194 241 LEU B CD1 4715 C CD2 . LEU B 246 ? 0.5801 0.6974 0.6515 -0.0302 0.0166 0.0197 241 LEU B CD2 4716 N N . ILE B 247 ? 0.6667 0.8132 0.7557 -0.0340 0.0092 0.0146 242 ILE B N 4717 C CA . ILE B 247 ? 0.6318 0.7878 0.7263 -0.0340 0.0047 0.0143 242 ILE B CA 4718 C C . ILE B 247 ? 0.6465 0.8064 0.7495 -0.0298 -0.0009 0.0185 242 ILE B C 4719 O O . ILE B 247 ? 0.6833 0.8498 0.7957 -0.0289 -0.0036 0.0162 242 ILE B O 4720 C CB . ILE B 247 ? 0.6270 0.7828 0.7128 -0.0345 0.0041 0.0162 242 ILE B CB 4721 C CG1 . ILE B 247 ? 0.6623 0.8122 0.7394 -0.0387 0.0092 0.0114 242 ILE B CG1 4722 C CG2 . ILE B 247 ? 0.6274 0.7929 0.7175 -0.0340 -0.0016 0.0165 242 ILE B CG2 4723 C CD1 . ILE B 247 ? 0.5860 0.7403 0.6687 -0.0434 0.0101 0.0050 242 ILE B CD1 4724 N N . ILE B 248 ? 0.7101 0.8660 0.8106 -0.0274 -0.0024 0.0247 243 ILE B N 4725 C CA . ILE B 248 ? 0.7163 0.8729 0.8247 -0.0240 -0.0075 0.0291 243 ILE B CA 4726 C C . ILE B 248 ? 0.6338 0.7844 0.7450 -0.0232 -0.0064 0.0267 243 ILE B C 4727 O O . ILE B 248 ? 0.7028 0.8463 0.8083 -0.0237 -0.0036 0.0275 243 ILE B O 4728 C CB . ILE B 248 ? 0.6484 0.8034 0.7543 -0.0225 -0.0094 0.0373 243 ILE B CB 4729 C CG1 . ILE B 248 ? 0.6866 0.8469 0.7865 -0.0229 -0.0096 0.0393 243 ILE B CG1 4730 C CG2 . ILE B 248 ? 0.5591 0.7138 0.6738 -0.0199 -0.0151 0.0421 243 ILE B CG2 4731 C CD1 . ILE B 248 ? 0.7400 0.9003 0.8374 -0.0212 -0.0104 0.0479 243 ILE B CD1 4732 N N . PRO B 249 ? 0.6183 0.7715 0.7377 -0.0213 -0.0088 0.0235 244 PRO B N 4733 C CA . PRO B 249 ? 0.6187 0.7662 0.7394 -0.0199 -0.0075 0.0197 244 PRO B CA 4734 C C . PRO B 249 ? 0.6961 0.8344 0.8141 -0.0188 -0.0096 0.0237 244 PRO B C 4735 O O . PRO B 249 ? 0.6288 0.7667 0.7492 -0.0181 -0.0138 0.0301 244 PRO B O 4736 C CB . PRO B 249 ? 0.6246 0.7773 0.7559 -0.0165 -0.0113 0.0175 244 PRO B CB 4737 C CG . PRO B 249 ? 0.6500 0.8131 0.7851 -0.0175 -0.0128 0.0178 244 PRO B CG 4738 C CD . PRO B 249 ? 0.6480 0.8099 0.7757 -0.0195 -0.0133 0.0234 244 PRO B CD 4739 N N . LYS B 250 ? 0.7313 0.8627 0.8444 -0.0188 -0.0068 0.0202 245 LYS B N 4740 C CA . LYS B 250 ? 0.6358 0.7585 0.7468 -0.0178 -0.0099 0.0229 245 LYS B CA 4741 C C . LYS B 250 ? 0.6366 0.7574 0.7562 -0.0150 -0.0168 0.0247 245 LYS B C 4742 O O . LYS B 250 ? 0.7303 0.8472 0.8523 -0.0152 -0.0215 0.0302 245 LYS B O 4743 C CB . LYS B 250 ? 0.6672 0.7828 0.7703 -0.0177 -0.0063 0.0179 245 LYS B CB 4744 C CG . LYS B 250 ? 0.7245 0.8308 0.8256 -0.0164 -0.0110 0.0192 245 LYS B CG 4745 C CD . LYS B 250 ? 0.8674 0.9665 0.9581 -0.0160 -0.0075 0.0143 245 LYS B CD 4746 C CE . LYS B 250 ? 0.9486 1.0382 1.0369 -0.0145 -0.0136 0.0147 245 LYS B CE 4747 N NZ . LYS B 250 ? 0.9619 1.0438 1.0379 -0.0135 -0.0106 0.0097 245 LYS B NZ 4748 N N . SER B 251 ? 0.6869 0.8106 0.8119 -0.0125 -0.0174 0.0202 246 SER B N 4749 C CA . SER B 251 ? 0.7101 0.8307 0.8432 -0.0090 -0.0239 0.0211 246 SER B CA 4750 C C . SER B 251 ? 0.7114 0.8373 0.8513 -0.0090 -0.0283 0.0281 246 SER B C 4751 O O . SER B 251 ? 0.6656 0.7895 0.8128 -0.0060 -0.0338 0.0297 246 SER B O 4752 C CB . SER B 251 ? 0.6461 0.7685 0.7828 -0.0051 -0.0225 0.0137 246 SER B CB 4753 O OG . SER B 251 ? 0.6095 0.7436 0.7493 -0.0059 -0.0184 0.0115 246 SER B OG 4754 N N . LEU B 252 ? 0.7096 0.8414 0.8460 -0.0119 -0.0257 0.0321 247 LEU B N 4755 C CA . LEU B 252 ? 0.7334 0.8702 0.8733 -0.0121 -0.0291 0.0394 247 LEU B CA 4756 C C . LEU B 252 ? 0.7448 0.8805 0.8800 -0.0149 -0.0278 0.0461 247 LEU B C 4757 O O . LEU B 252 ? 0.6318 0.7733 0.7646 -0.0159 -0.0268 0.0508 247 LEU B O 4758 C CB . LEU B 252 ? 0.7224 0.8694 0.8624 -0.0121 -0.0273 0.0372 247 LEU B CB 4759 C CG . LEU B 252 ? 0.7302 0.8823 0.8772 -0.0093 -0.0330 0.0410 247 LEU B CG 4760 C CD1 . LEU B 252 ? 0.7666 0.9210 0.9099 -0.0106 -0.0346 0.0497 247 LEU B CD1 4761 C CD2 . LEU B 252 ? 0.7761 0.9213 0.9311 -0.0055 -0.0385 0.0416 247 LEU B CD2 4762 N N . ALA B 253 ? 0.4901 0.6186 0.6238 -0.0159 -0.0279 0.0463 248 ALA B N 4763 C CA . ALA B 253 ? 0.5391 0.6669 0.6707 -0.0181 -0.0270 0.0526 248 ALA B CA 4764 C C . ALA B 253 ? 0.5298 0.6626 0.6531 -0.0194 -0.0204 0.0522 248 ALA B C 4765 O O . ALA B 253 ? 0.4913 0.6265 0.6132 -0.0203 -0.0189 0.0582 248 ALA B O 4766 C CB . ALA B 253 ? 0.5743 0.7038 0.7128 -0.0185 -0.0313 0.0619 248 ALA B CB 4767 N N . GLY B 254 ? 0.5390 0.6732 0.6571 -0.0195 -0.0165 0.0451 249 GLY B N 4768 C CA . GLY B 254 ? 0.4753 0.6115 0.5848 -0.0209 -0.0105 0.0436 249 GLY B CA 4769 C C . GLY B 254 ? 0.5501 0.6801 0.6543 -0.0215 -0.0078 0.0431 249 GLY B C 4770 O O . GLY B 254 ? 0.6844 0.8086 0.7880 -0.0212 -0.0084 0.0392 249 GLY B O 4771 N N . PRO B 255 ? 0.6037 0.7347 0.7036 -0.0216 -0.0048 0.0471 250 PRO B N 4772 C CA . PRO B 255 ? 0.6423 0.7681 0.7375 -0.0214 -0.0024 0.0474 250 PRO B CA 4773 C C . PRO B 255 ? 0.6473 0.7674 0.7341 -0.0222 0.0018 0.0403 250 PRO B C 4774 O O . PRO B 255 ? 0.6042 0.7255 0.6861 -0.0235 0.0057 0.0367 250 PRO B O 4775 C CB . PRO B 255 ? 0.4932 0.6229 0.5851 -0.0206 0.0012 0.0522 250 PRO B CB 4776 C CG . PRO B 255 ? 0.5328 0.6695 0.6299 -0.0205 -0.0011 0.0569 250 PRO B CG 4777 C CD . PRO B 255 ? 0.6372 0.7746 0.7365 -0.0213 -0.0038 0.0522 250 PRO B CD 4778 N N . LEU B 256 ? 0.5903 0.7038 0.6751 -0.0218 0.0008 0.0386 251 LEU B N 4779 C CA . LEU B 256 ? 0.6084 0.7156 0.6840 -0.0226 0.0053 0.0332 251 LEU B CA 4780 C C . LEU B 256 ? 0.6628 0.7672 0.7306 -0.0224 0.0100 0.0347 251 LEU B C 4781 O O . LEU B 256 ? 0.6840 0.7830 0.7476 -0.0210 0.0100 0.0366 251 LEU B O 4782 C CB . LEU B 256 ? 0.5912 0.6913 0.6645 -0.0216 0.0026 0.0314 251 LEU B CB 4783 C CG . LEU B 256 ? 0.8263 0.9267 0.9066 -0.0208 -0.0028 0.0297 251 LEU B CG 4784 C CD1 . LEU B 256 ? 0.8509 0.9429 0.9247 -0.0197 -0.0039 0.0257 251 LEU B CD1 4785 C CD2 . LEU B 256 ? 0.8207 0.9270 0.9057 -0.0213 -0.0014 0.0262 251 LEU B CD2 4786 N N . SER B 257 ? 0.6318 0.7394 0.6972 -0.0236 0.0135 0.0337 252 SER B N 4787 C CA . SER B 257 ? 0.6132 0.7176 0.6712 -0.0227 0.0178 0.0349 252 SER B CA 4788 C C . SER B 257 ? 0.7095 0.8116 0.7607 -0.0255 0.0225 0.0298 252 SER B C 4789 O O . SER B 257 ? 0.7350 0.8423 0.7898 -0.0279 0.0218 0.0266 252 SER B O 4790 C CB . SER B 257 ? 0.5945 0.7053 0.6566 -0.0204 0.0166 0.0408 252 SER B CB 4791 O OG . SER B 257 ? 0.6521 0.7597 0.7067 -0.0186 0.0212 0.0414 252 SER B OG 4792 N N . HIS B 258 ? 0.6420 0.7361 0.6840 -0.0251 0.0268 0.0291 253 HIS B N 4793 C CA . HIS B 258 ? 0.6456 0.7360 0.6808 -0.0281 0.0309 0.0246 253 HIS B CA 4794 C C . HIS B 258 ? 0.6514 0.7483 0.6875 -0.0275 0.0300 0.0250 253 HIS B C 4795 O O . HIS B 258 ? 0.7070 0.8038 0.7398 -0.0306 0.0313 0.0205 253 HIS B O 4796 C CB . HIS B 258 ? 0.6611 0.7395 0.6858 -0.0271 0.0354 0.0243 253 HIS B CB 4797 C CG . HIS B 258 ? 0.7750 0.8453 0.7956 -0.0285 0.0370 0.0233 253 HIS B CG 4798 N ND1 . HIS B 258 ? 0.7748 0.8400 0.7913 -0.0334 0.0408 0.0188 253 HIS B ND1 4799 C CD2 . HIS B 258 ? 0.7692 0.8359 0.7888 -0.0258 0.0355 0.0263 253 HIS B CD2 4800 C CE1 . HIS B 258 ? 0.7621 0.8206 0.7742 -0.0333 0.0422 0.0194 253 HIS B CE1 4801 N NE2 . HIS B 258 ? 0.6769 0.7358 0.6900 -0.0286 0.0386 0.0237 253 HIS B NE2 4802 N N . HIS B 259 ? 0.5051 0.6080 0.5455 -0.0237 0.0278 0.0305 254 HIS B N 4803 C CA . HIS B 259 ? 0.5831 0.6930 0.6236 -0.0226 0.0269 0.0321 254 HIS B CA 4804 C C . HIS B 259 ? 0.6161 0.7338 0.6630 -0.0254 0.0229 0.0302 254 HIS B C 4805 O O . HIS B 259 ? 0.6959 0.8180 0.7403 -0.0259 0.0220 0.0290 254 HIS B O 4806 C CB . HIS B 259 ? 0.5371 0.6525 0.5822 -0.0183 0.0259 0.0396 254 HIS B CB 4807 C CG . HIS B 259 ? 0.5425 0.6527 0.5824 -0.0144 0.0299 0.0419 254 HIS B CG 4808 N ND1 . HIS B 259 ? 0.5568 0.6673 0.5901 -0.0110 0.0338 0.0428 254 HIS B ND1 4809 C CD2 . HIS B 259 ? 0.5615 0.6660 0.6017 -0.0127 0.0306 0.0433 254 HIS B CD2 4810 C CE1 . HIS B 259 ? 0.5720 0.6777 0.6029 -0.0071 0.0368 0.0447 254 HIS B CE1 4811 N NE2 . HIS B 259 ? 0.6116 0.7136 0.6466 -0.0082 0.0346 0.0453 254 HIS B NE2 4812 N N . ASN B 260 ? 0.5915 0.7108 0.6461 -0.0267 0.0202 0.0296 255 ASN B N 4813 C CA . ASN B 260 ? 0.5718 0.6986 0.6341 -0.0284 0.0161 0.0280 255 ASN B CA 4814 C C . ASN B 260 ? 0.6490 0.7753 0.7103 -0.0326 0.0178 0.0209 255 ASN B C 4815 O O . ASN B 260 ? 0.6387 0.7689 0.7074 -0.0338 0.0161 0.0185 255 ASN B O 4816 C CB . ASN B 260 ? 0.5707 0.6989 0.6420 -0.0271 0.0125 0.0305 255 ASN B CB 4817 C CG . ASN B 260 ? 0.6462 0.7822 0.7265 -0.0270 0.0075 0.0308 255 ASN B CG 4818 O OD1 . ASN B 260 ? 0.6621 0.8034 0.7424 -0.0281 0.0066 0.0286 255 ASN B OD1 4819 N ND2 . ASN B 260 ? 0.5392 0.6751 0.6269 -0.0253 0.0037 0.0332 255 ASN B ND2 4820 N N . THR B 261 ? 0.5633 0.6848 0.6160 -0.0347 0.0213 0.0175 256 THR B N 4821 C CA . THR B 261 ? 0.5720 0.6928 0.6247 -0.0398 0.0232 0.0111 256 THR B CA 4822 C C . THR B 261 ? 0.6245 0.7462 0.6720 -0.0424 0.0226 0.0075 256 THR B C 4823 O O . THR B 261 ? 0.6972 0.8180 0.7379 -0.0397 0.0220 0.0096 256 THR B O 4824 C CB . THR B 261 ? 0.5640 0.6737 0.6104 -0.0418 0.0287 0.0093 256 THR B CB 4825 O OG1 . THR B 261 ? 0.6477 0.7480 0.6833 -0.0403 0.0315 0.0101 256 THR B OG1 4826 C CG2 . THR B 261 ? 0.5866 0.6942 0.6358 -0.0391 0.0288 0.0122 256 THR B CG2 4827 N N . ARG B 262 ? 0.5857 0.7097 0.6364 -0.0478 0.0228 0.0020 257 ARG B N 4828 C CA . ARG B 262 ? 0.5924 0.7162 0.6383 -0.0515 0.0215 -0.0027 257 ARG B CA 4829 C C . ARG B 262 ? 0.5543 0.6769 0.6040 -0.0586 0.0239 -0.0083 257 ARG B C 4830 O O . ARG B 262 ? 0.6100 0.7408 0.6711 -0.0604 0.0237 -0.0091 257 ARG B O 4831 C CB . ARG B 262 ? 0.6112 0.7468 0.6616 -0.0502 0.0150 -0.0022 257 ARG B CB 4832 C CG . ARG B 262 ? 0.5878 0.7225 0.6305 -0.0532 0.0125 -0.0070 257 ARG B CG 4833 C CD . ARG B 262 ? 0.6439 0.7709 0.6721 -0.0488 0.0138 -0.0048 257 ARG B CD 4834 N NE . ARG B 262 ? 0.7233 0.8491 0.7423 -0.0508 0.0108 -0.0098 257 ARG B NE 4835 C CZ . ARG B 262 ? 0.7219 0.8462 0.7291 -0.0464 0.0099 -0.0082 257 ARG B CZ 4836 N NH1 . ARG B 262 ? 0.7137 0.8388 0.7189 -0.0400 0.0122 -0.0010 257 ARG B NH1 4837 N NH2 . ARG B 262 ? 0.7997 0.9218 0.7969 -0.0484 0.0067 -0.0137 257 ARG B NH2 4838 N N . GLU B 263 ? 0.7046 0.8169 0.7451 -0.0626 0.0265 -0.0121 258 GLU B N 4839 C CA . GLU B 263 ? 0.8046 0.9143 0.8485 -0.0704 0.0293 -0.0168 258 GLU B CA 4840 C C . GLU B 263 ? 0.7735 0.8986 0.8312 -0.0749 0.0249 -0.0203 258 GLU B C 4841 O O . GLU B 263 ? 0.8131 0.9453 0.8715 -0.0747 0.0187 -0.0221 258 GLU B O 4842 C CB . GLU B 263 ? 0.8799 0.9754 0.9114 -0.0741 0.0311 -0.0207 258 GLU B CB 4843 C CG . GLU B 263 ? 1.0667 1.1458 1.0854 -0.0701 0.0363 -0.0179 258 GLU B CG 4844 C CD . GLU B 263 ? 1.2473 1.3106 1.2545 -0.0742 0.0384 -0.0223 258 GLU B CD 4845 O OE1 . GLU B 263 ? 1.1831 1.2475 1.1936 -0.0818 0.0364 -0.0278 258 GLU B OE1 4846 O OE2 . GLU B 263 ? 1.1138 1.1634 1.1093 -0.0696 0.0417 -0.0205 258 GLU B OE2 4847 N N . GLY B 264 ? 0.5672 0.6978 0.6357 -0.0785 0.0281 -0.0210 259 GLY B N 4848 C CA . GLY B 264 ? 0.5711 0.7177 0.6551 -0.0827 0.0247 -0.0243 259 GLY B CA 4849 C C . GLY B 264 ? 0.5487 0.7093 0.6432 -0.0765 0.0202 -0.0216 259 GLY B C 4850 O O . GLY B 264 ? 0.5608 0.7359 0.6680 -0.0781 0.0155 -0.0238 259 GLY B O 4851 N N . TYR B 265 ? 0.5018 0.6580 0.5916 -0.0695 0.0211 -0.0167 260 TYR B N 4852 C CA . TYR B 265 ? 0.5843 0.7512 0.6834 -0.0636 0.0168 -0.0138 260 TYR B CA 4853 C C . TYR B 265 ? 0.5115 0.6746 0.6116 -0.0595 0.0209 -0.0109 260 TYR B C 4854 O O . TYR B 265 ? 0.6295 0.7804 0.7191 -0.0584 0.0249 -0.0087 260 TYR B O 4855 C CB . TYR B 265 ? 0.6069 0.7736 0.6997 -0.0585 0.0109 -0.0102 260 TYR B CB 4856 C CG . TYR B 265 ? 0.5413 0.7135 0.6328 -0.0614 0.0053 -0.0132 260 TYR B CG 4857 C CD1 . TYR B 265 ? 0.5029 0.6895 0.6062 -0.0610 -0.0013 -0.0142 260 TYR B CD1 4858 C CD2 . TYR B 265 ? 0.5889 0.7511 0.6668 -0.0639 0.0061 -0.0153 260 TYR B CD2 4859 C CE1 . TYR B 265 ? 0.6910 0.8826 0.7922 -0.0636 -0.0074 -0.0171 260 TYR B CE1 4860 C CE2 . TYR B 265 ? 0.6654 0.8315 0.7403 -0.0664 0.0004 -0.0188 260 TYR B CE2 4861 C CZ . TYR B 265 ? 0.7086 0.8897 0.7950 -0.0665 -0.0067 -0.0196 260 TYR B CZ 4862 O OH . TYR B 265 ? 0.6150 0.8000 0.6975 -0.0689 -0.0133 -0.0232 260 TYR B OH 4863 N N . ARG B 266 ? 0.6302 0.8037 0.7424 -0.0566 0.0190 -0.0110 261 ARG B N 4864 C CA . ARG B 266 ? 0.6746 0.8447 0.7876 -0.0522 0.0218 -0.0091 261 ARG B CA 4865 C C . ARG B 266 ? 0.6065 0.7798 0.7234 -0.0456 0.0156 -0.0055 261 ARG B C 4866 O O . ARG B 266 ? 0.6447 0.8225 0.7628 -0.0444 0.0099 -0.0037 261 ARG B O 4867 C CB . ARG B 266 ? 0.6511 0.8288 0.7742 -0.0541 0.0264 -0.0128 261 ARG B CB 4868 C CG . ARG B 266 ? 0.6885 0.8564 0.8034 -0.0574 0.0348 -0.0136 261 ARG B CG 4869 C CD . ARG B 266 ? 0.7443 0.9162 0.8632 -0.0655 0.0392 -0.0171 261 ARG B CD 4870 N NE . ARG B 266 ? 0.9745 1.1619 1.1095 -0.0664 0.0408 -0.0202 261 ARG B NE 4871 C CZ . ARG B 266 ? 0.9717 1.1619 1.1106 -0.0709 0.0488 -0.0221 261 ARG B CZ 4872 N NH1 . ARG B 266 ? 0.8044 1.0107 0.9595 -0.0709 0.0503 -0.0248 261 ARG B NH1 4873 N NH2 . ARG B 266 ? 1.0042 1.1813 1.1310 -0.0752 0.0554 -0.0211 261 ARG B NH2 4874 N N . THR B 267 ? 0.6189 0.7891 0.7371 -0.0414 0.0165 -0.0042 262 THR B N 4875 C CA . THR B 267 ? 0.6271 0.7974 0.7483 -0.0355 0.0103 -0.0002 262 THR B CA 4876 C C . THR B 267 ? 0.6875 0.8703 0.8211 -0.0333 0.0045 -0.0007 262 THR B C 4877 O O . THR B 267 ? 0.7422 0.9339 0.8862 -0.0333 0.0056 -0.0046 262 THR B O 4878 C CB . THR B 267 ? 0.6443 0.8082 0.7650 -0.0316 0.0117 0.0000 262 THR B CB 4879 O OG1 . THR B 267 ? 0.7914 0.9437 0.9000 -0.0331 0.0159 0.0012 262 THR B OG1 4880 C CG2 . THR B 267 ? 0.6615 0.8243 0.7859 -0.0264 0.0048 0.0043 262 THR B CG2 4881 N N . GLN B 268 ? 0.6216 0.8053 0.7540 -0.0313 -0.0016 0.0039 263 GLN B N 4882 C CA . GLN B 268 ? 0.5781 0.7723 0.7206 -0.0285 -0.0083 0.0047 263 GLN B CA 4883 C C . GLN B 268 ? 0.5892 0.7826 0.7395 -0.0224 -0.0116 0.0066 263 GLN B C 4884 O O . GLN B 268 ? 0.5675 0.7589 0.7180 -0.0189 -0.0172 0.0120 263 GLN B O 4885 C CB . GLN B 268 ? 0.5324 0.7268 0.6684 -0.0285 -0.0132 0.0094 263 GLN B CB 4886 C CG . GLN B 268 ? 0.5729 0.7654 0.6988 -0.0337 -0.0104 0.0072 263 GLN B CG 4887 C CD . GLN B 268 ? 0.6145 0.8169 0.7471 -0.0381 -0.0106 0.0011 263 GLN B CD 4888 O OE1 . GLN B 268 ? 0.5852 0.7984 0.7264 -0.0368 -0.0166 0.0007 263 GLN B OE1 4889 N NE2 . GLN B 268 ? 0.5477 0.7463 0.6768 -0.0435 -0.0045 -0.0033 263 GLN B NE2 4890 N N . MET B 269 ? 0.6057 0.7999 0.7619 -0.0210 -0.0078 0.0021 264 MET B N 4891 C CA . MET B 269 ? 0.6465 0.8388 0.8096 -0.0147 -0.0107 0.0024 264 MET B CA 4892 C C . MET B 269 ? 0.6381 0.8396 0.8124 -0.0105 -0.0180 0.0042 264 MET B C 4893 O O . MET B 269 ? 0.5958 0.7922 0.7720 -0.0058 -0.0235 0.0084 264 MET B O 4894 C CB . MET B 269 ? 0.5442 0.7373 0.7109 -0.0136 -0.0044 -0.0037 264 MET B CB 4895 C CG . MET B 269 ? 0.6331 0.8158 0.7876 -0.0169 0.0023 -0.0050 264 MET B CG 4896 S SD . MET B 269 ? 0.7419 0.9084 0.8868 -0.0140 -0.0010 -0.0006 264 MET B SD 4897 C CE . MET B 269 ? 0.7329 0.8983 0.8868 -0.0064 -0.0047 -0.0032 264 MET B CE 4898 N N . LYS B 270 ? 0.6885 0.9033 0.8705 -0.0124 -0.0185 0.0012 265 LYS B N 4899 C CA . LYS B 270 ? 0.7001 0.9255 0.8939 -0.0080 -0.0258 0.0024 265 LYS B CA 4900 C C . LYS B 270 ? 0.6933 0.9211 0.8819 -0.0098 -0.0321 0.0074 265 LYS B C 4901 O O . LYS B 270 ? 0.7168 0.9569 0.9131 -0.0095 -0.0370 0.0066 265 LYS B O 4902 C CB . LYS B 270 ? 0.7609 1.0018 0.9688 -0.0084 -0.0235 -0.0039 265 LYS B CB 4903 C CG . LYS B 270 ? 0.6220 0.8625 0.8354 -0.0057 -0.0165 -0.0090 265 LYS B CG 4904 C CD . LYS B 270 ? 0.7900 1.0477 1.0176 -0.0076 -0.0127 -0.0146 265 LYS B CD 4905 C CE . LYS B 270 ? 0.8226 1.0806 1.0541 -0.0052 -0.0040 -0.0196 265 LYS B CE 4906 N NZ . LYS B 270 ? 0.9650 1.2221 1.2043 0.0048 -0.0068 -0.0203 265 LYS B NZ 4907 N N . GLY B 271 ? 0.6861 0.9030 0.8616 -0.0115 -0.0321 0.0125 266 GLY B N 4908 C CA . GLY B 271 ? 0.6298 0.8479 0.7982 -0.0122 -0.0373 0.0178 266 GLY B CA 4909 C C . GLY B 271 ? 0.6673 0.8863 0.8412 -0.0061 -0.0452 0.0238 266 GLY B C 4910 O O . GLY B 271 ? 0.7108 0.9277 0.8937 -0.0013 -0.0466 0.0237 266 GLY B O 4911 N N . PRO B 272 ? 0.5611 0.7822 0.7286 -0.0060 -0.0505 0.0293 267 PRO B N 4912 C CA . PRO B 272 ? 0.5772 0.7982 0.7481 -0.0004 -0.0584 0.0364 267 PRO B CA 4913 C C . PRO B 272 ? 0.7107 0.9186 0.8770 0.0013 -0.0580 0.0438 267 PRO B C 4914 O O . PRO B 272 ? 0.7173 0.9220 0.8756 0.0016 -0.0609 0.0518 267 PRO B O 4915 C CB . PRO B 272 ? 0.5673 0.7946 0.7295 -0.0019 -0.0630 0.0393 267 PRO B CB 4916 C CG . PRO B 272 ? 0.6315 0.8551 0.7810 -0.0079 -0.0564 0.0366 267 PRO B CG 4917 C CD . PRO B 272 ? 0.6299 0.8528 0.7853 -0.0109 -0.0494 0.0288 267 PRO B CD 4918 N N . TRP B 273 ? 0.7125 0.9129 0.8837 0.0022 -0.0546 0.0413 268 TRP B N 4919 C CA . TRP B 273 ? 0.6924 0.8801 0.8599 0.0024 -0.0541 0.0473 268 TRP B CA 4920 C C . TRP B 273 ? 0.7737 0.9565 0.9475 0.0076 -0.0613 0.0541 268 TRP B C 4921 O O . TRP B 273 ? 0.8182 0.9900 0.9918 0.0078 -0.0620 0.0589 268 TRP B O 4922 C CB . TRP B 273 ? 0.6343 0.8150 0.8033 0.0013 -0.0486 0.0414 268 TRP B CB 4923 C CG . TRP B 273 ? 0.6024 0.7867 0.7658 -0.0034 -0.0413 0.0348 268 TRP B CG 4924 C CD1 . TRP B 273 ? 0.6729 0.8601 0.8405 -0.0038 -0.0369 0.0265 268 TRP B CD1 4925 C CD2 . TRP B 273 ? 0.5533 0.7377 0.7054 -0.0082 -0.0375 0.0361 268 TRP B CD2 4926 N NE1 . TRP B 273 ? 0.6146 0.8030 0.7744 -0.0091 -0.0308 0.0231 268 TRP B NE1 4927 C CE2 . TRP B 273 ? 0.5270 0.7133 0.6773 -0.0116 -0.0312 0.0286 268 TRP B CE2 4928 C CE3 . TRP B 273 ? 0.5856 0.7685 0.7288 -0.0097 -0.0382 0.0431 268 TRP B CE3 4929 C CZ2 . TRP B 273 ? 0.6112 0.7965 0.7511 -0.0162 -0.0265 0.0276 268 TRP B CZ2 4930 C CZ3 . TRP B 273 ? 0.6290 0.8119 0.7618 -0.0137 -0.0330 0.0415 268 TRP B CZ3 4931 C CH2 . TRP B 273 ? 0.5560 0.7394 0.6874 -0.0168 -0.0276 0.0337 268 TRP B CH2 4932 N N . HIS B 274 ? 0.8208 1.0116 1.0007 0.0117 -0.0672 0.0547 269 HIS B N 4933 C CA . HIS B 274 ? 0.8391 1.0249 1.0243 0.0171 -0.0747 0.0618 269 HIS B CA 4934 C C . HIS B 274 ? 0.8470 1.0319 1.0225 0.0158 -0.0779 0.0725 269 HIS B C 4935 O O . HIS B 274 ? 0.9012 1.0802 1.0786 0.0193 -0.0838 0.0808 269 HIS B O 4936 C CB . HIS B 274 ? 0.8329 1.0280 1.0301 0.0232 -0.0799 0.0578 269 HIS B CB 4937 C CG . HIS B 274 ? 0.9971 1.2069 1.1925 0.0221 -0.0821 0.0563 269 HIS B CG 4938 N ND1 . HIS B 274 ? 0.9360 1.1568 1.1336 0.0186 -0.0776 0.0472 269 HIS B ND1 4939 C CD2 . HIS B 274 ? 0.9363 1.1513 1.1275 0.0236 -0.0888 0.0626 269 HIS B CD2 4940 C CE1 . HIS B 274 ? 0.9941 1.2261 1.1897 0.0178 -0.0819 0.0476 269 HIS B CE1 4941 N NE2 . HIS B 274 ? 1.0106 1.2395 1.2015 0.0211 -0.0888 0.0567 269 HIS B NE2 4942 N N . SER B 275 ? 0.6985 0.8886 0.8630 0.0110 -0.0738 0.0722 270 SER B N 4943 C CA . SER B 275 ? 0.7223 0.9130 0.8753 0.0100 -0.0756 0.0813 270 SER B CA 4944 C C . SER B 275 ? 0.8294 1.0092 0.9784 0.0083 -0.0736 0.0909 270 SER B C 4945 O O . SER B 275 ? 0.7550 0.9278 0.9069 0.0058 -0.0692 0.0889 270 SER B O 4946 C CB . SER B 275 ? 0.7146 0.9128 0.8562 0.0057 -0.0711 0.0770 270 SER B CB 4947 O OG . SER B 275 ? 0.7849 0.9931 0.9319 0.0057 -0.0723 0.0674 270 SER B OG 4948 N N . GLU B 276 ? 1.0619 1.2407 1.2044 0.0094 -0.0770 0.1015 271 GLU B N 4949 C CA . GLU B 276 ? 1.0272 1.1978 1.1660 0.0070 -0.0746 0.1120 271 GLU B CA 4950 C C . GLU B 276 ? 1.0066 1.1794 1.1360 0.0021 -0.0661 0.1108 271 GLU B C 4951 O O . GLU B 276 ? 0.9143 1.0811 1.0455 -0.0008 -0.0621 0.1148 271 GLU B O 4952 C CB . GLU B 276 ? 1.0642 1.2345 1.1965 0.0093 -0.0794 0.1241 271 GLU B CB 4953 C CG . GLU B 276 ? 1.2708 1.4377 1.4119 0.0149 -0.0884 0.1270 271 GLU B CG 4954 C CD . GLU B 276 ? 1.3633 1.5171 1.5159 0.0152 -0.0903 0.1306 271 GLU B CD 4955 O OE1 . GLU B 276 ? 1.4436 1.5895 1.5947 0.0143 -0.0919 0.1427 271 GLU B OE1 4956 O OE2 . GLU B 276 ? 1.3315 1.4823 1.4940 0.0161 -0.0902 0.1214 271 GLU B OE2 4957 N N . GLU B 277 ? 0.7674 0.9486 0.8874 0.0014 -0.0637 0.1051 272 GLU B N 4958 C CA . GLU B 277 ? 0.7709 0.9540 0.8795 -0.0020 -0.0561 0.1046 272 GLU B CA 4959 C C . GLU B 277 ? 0.8500 1.0402 0.9514 -0.0028 -0.0547 0.0943 272 GLU B C 4960 O O . GLU B 277 ? 0.9166 1.1128 1.0143 -0.0008 -0.0599 0.0929 272 GLU B O 4961 C CB . GLU B 277 ? 0.8230 1.0063 0.9210 -0.0017 -0.0549 0.1165 272 GLU B CB 4962 C CG . GLU B 277 ? 0.8702 1.0571 0.9541 -0.0035 -0.0473 0.1159 272 GLU B CG 4963 C CD . GLU B 277 ? 0.8603 1.0488 0.9323 -0.0022 -0.0462 0.1276 272 GLU B CD 4964 O OE1 . GLU B 277 ? 1.0114 1.1981 1.0858 -0.0002 -0.0519 0.1362 272 GLU B OE1 4965 O OE2 . GLU B 277 ? 0.8756 1.0667 0.9355 -0.0028 -0.0394 0.1284 272 GLU B OE2 4966 N N . LEU B 278 ? 0.8052 0.9944 0.9051 -0.0059 -0.0482 0.0872 273 LEU B N 4967 C CA . LEU B 278 ? 0.7528 0.9468 0.8470 -0.0076 -0.0465 0.0771 273 LEU B CA 4968 C C . LEU B 278 ? 0.7517 0.9445 0.8323 -0.0097 -0.0393 0.0762 273 LEU B C 4969 O O . LEU B 278 ? 0.7756 0.9640 0.8552 -0.0104 -0.0340 0.0809 273 LEU B O 4970 C CB . LEU B 278 ? 0.6840 0.8775 0.7894 -0.0091 -0.0453 0.0677 273 LEU B CB 4971 C CG . LEU B 278 ? 0.7457 0.9426 0.8645 -0.0064 -0.0516 0.0651 273 LEU B CG 4972 C CD1 . LEU B 278 ? 0.6202 0.8148 0.7486 -0.0077 -0.0482 0.0572 273 LEU B CD1 4973 C CD2 . LEU B 278 ? 0.8101 1.0166 0.9273 -0.0057 -0.0570 0.0613 273 LEU B CD2 4974 N N . GLU B 279 ? 0.7415 0.9381 0.8121 -0.0107 -0.0395 0.0700 274 GLU B N 4975 C CA . GLU B 279 ? 0.7906 0.9845 0.8487 -0.0125 -0.0326 0.0665 274 GLU B CA 4976 C C . GLU B 279 ? 0.8320 1.0260 0.8910 -0.0159 -0.0317 0.0547 274 GLU B C 4977 O O . GLU B 279 ? 0.8606 1.0591 0.9154 -0.0169 -0.0359 0.0494 274 GLU B O 4978 C CB . GLU B 279 ? 0.8549 1.0507 0.8959 -0.0106 -0.0327 0.0704 274 GLU B CB 4979 C CG . GLU B 279 ? 0.8484 1.0400 0.8769 -0.0106 -0.0241 0.0704 274 GLU B CG 4980 C CD . GLU B 279 ? 0.9899 1.1816 1.0008 -0.0105 -0.0239 0.0643 274 GLU B CD 4981 O OE1 . GLU B 279 ? 1.0168 1.2129 1.0223 -0.0098 -0.0309 0.0634 274 GLU B OE1 4982 O OE2 . GLU B 279 ? 0.9853 1.1722 0.9873 -0.0109 -0.0171 0.0600 274 GLU B OE2 4983 N N . ILE B 280 ? 0.6768 0.8659 0.7418 -0.0179 -0.0265 0.0511 275 ILE B N 4984 C CA . ILE B 280 ? 0.6183 0.8060 0.6837 -0.0217 -0.0240 0.0411 275 ILE B CA 4985 C C . ILE B 280 ? 0.6769 0.8608 0.7262 -0.0229 -0.0201 0.0376 275 ILE B C 4986 O O . ILE B 280 ? 0.7091 0.8876 0.7510 -0.0215 -0.0142 0.0407 275 ILE B O 4987 C CB . ILE B 280 ? 0.6065 0.7888 0.6802 -0.0230 -0.0193 0.0393 275 ILE B CB 4988 C CG1 . ILE B 280 ? 0.6118 0.7962 0.6998 -0.0210 -0.0232 0.0426 275 ILE B CG1 4989 C CG2 . ILE B 280 ? 0.5594 0.7401 0.6335 -0.0272 -0.0165 0.0298 275 ILE B CG2 4990 C CD1 . ILE B 280 ? 0.6538 0.8324 0.7485 -0.0218 -0.0193 0.0407 275 ILE B CD1 4991 N N . ARG B 281 ? 0.8084 0.9952 0.8528 -0.0252 -0.0236 0.0309 276 ARG B N 4992 C CA . ARG B 281 ? 0.8466 1.0286 0.8744 -0.0262 -0.0211 0.0265 276 ARG B CA 4993 C C . ARG B 281 ? 0.8041 0.9851 0.8333 -0.0317 -0.0222 0.0161 276 ARG B C 4994 O O . ARG B 281 ? 0.8823 1.0704 0.9244 -0.0343 -0.0268 0.0129 276 ARG B O 4995 C CB . ARG B 281 ? 0.9109 1.0969 0.9265 -0.0231 -0.0258 0.0302 276 ARG B CB 4996 C CG . ARG B 281 ? 1.0586 1.2381 1.0541 -0.0217 -0.0214 0.0285 276 ARG B CG 4997 C CD . ARG B 281 ? 1.1017 1.2851 1.0848 -0.0171 -0.0241 0.0355 276 ARG B CD 4998 N NE . ARG B 281 ? 1.1304 1.3199 1.1103 -0.0180 -0.0337 0.0324 276 ARG B NE 4999 C CZ . ARG B 281 ? 1.1911 1.3858 1.1642 -0.0144 -0.0388 0.0392 276 ARG B CZ 5000 N NH1 . ARG B 281 ? 1.1374 1.3319 1.1068 -0.0101 -0.0345 0.0499 276 ARG B NH1 5001 N NH2 . ARG B 281 ? 1.1819 1.3824 1.1525 -0.0151 -0.0484 0.0358 276 ARG B NH2 5002 N N . PHE B 282 ? 0.6089 0.7812 0.6256 -0.0335 -0.0177 0.0109 277 PHE B N 5003 C CA . PHE B 282 ? 0.5606 0.7305 0.5776 -0.0396 -0.0188 0.0012 277 PHE B CA 5004 C C . PHE B 282 ? 0.6847 0.8550 0.6880 -0.0406 -0.0245 -0.0036 277 PHE B C 5005 O O . PHE B 282 ? 0.7170 0.8777 0.7042 -0.0404 -0.0214 -0.0073 277 PHE B O 5006 C CB . PHE B 282 ? 0.5336 0.6913 0.5466 -0.0416 -0.0107 -0.0021 277 PHE B CB 5007 C CG . PHE B 282 ? 0.6397 0.7973 0.6664 -0.0421 -0.0066 0.0006 277 PHE B CG 5008 C CD1 . PHE B 282 ? 0.6565 0.8107 0.6830 -0.0375 -0.0019 0.0075 277 PHE B CD1 5009 C CD2 . PHE B 282 ? 0.5877 0.7495 0.6277 -0.0470 -0.0077 -0.0036 277 PHE B CD2 5010 C CE1 . PHE B 282 ? 0.6037 0.7572 0.6414 -0.0378 0.0009 0.0095 277 PHE B CE1 5011 C CE2 . PHE B 282 ? 0.4630 0.6243 0.5135 -0.0468 -0.0038 -0.0014 277 PHE B CE2 5012 C CZ . PHE B 282 ? 0.5196 0.6761 0.5681 -0.0422 0.0001 0.0049 277 PHE B CZ 5013 N N . GLU B 283 ? 0.7376 0.9191 0.7476 -0.0412 -0.0331 -0.0036 278 GLU B N 5014 C CA . GLU B 283 ? 0.7639 0.9479 0.7619 -0.0418 -0.0407 -0.0076 278 GLU B CA 5015 C C . GLU B 283 ? 0.7919 0.9897 0.8051 -0.0443 -0.0503 -0.0091 278 GLU B C 5016 O O . GLU B 283 ? 0.8325 1.0383 0.8613 -0.0420 -0.0514 -0.0036 278 GLU B O 5017 C CB . GLU B 283 ? 0.7818 0.9648 0.7632 -0.0349 -0.0408 -0.0006 278 GLU B CB 5018 C CG . GLU B 283 ? 0.8271 1.0104 0.7911 -0.0348 -0.0480 -0.0050 278 GLU B CG 5019 C CD . GLU B 283 ? 0.9813 1.1647 0.9288 -0.0276 -0.0474 0.0031 278 GLU B CD 5020 O OE1 . GLU B 283 ? 1.0822 1.2585 1.0080 -0.0258 -0.0464 -0.0003 278 GLU B OE1 5021 O OE2 . GLU B 283 ? 1.0437 1.2337 0.9996 -0.0238 -0.0478 0.0129 278 GLU B OE2 5022 N N . GLU B 284 ? 0.7745 0.9749 0.7839 -0.0488 -0.0574 -0.0168 279 GLU B N 5023 C CA . GLU B 284 ? 0.7536 0.9687 0.7784 -0.0511 -0.0673 -0.0186 279 GLU B CA 5024 C C . GLU B 284 ? 0.6946 0.9182 0.7182 -0.0440 -0.0740 -0.0103 279 GLU B C 5025 O O . GLU B 284 ? 0.7484 0.9668 0.7530 -0.0393 -0.0741 -0.0060 279 GLU B O 5026 C CB . GLU B 284 ? 0.7137 0.9295 0.7332 -0.0577 -0.0747 -0.0285 279 GLU B CB 5027 C CG . GLU B 284 ? 0.9016 1.1072 0.9214 -0.0653 -0.0686 -0.0366 279 GLU B CG 5028 C CD . GLU B 284 ? 0.9936 1.2014 1.0135 -0.0734 -0.0769 -0.0466 279 GLU B CD 5029 O OE1 . GLU B 284 ? 0.9989 1.2045 1.0295 -0.0814 -0.0739 -0.0524 279 GLU B OE1 5030 O OE2 . GLU B 284 ? 1.0294 1.2410 1.0385 -0.0721 -0.0868 -0.0484 279 GLU B OE2 5031 N N . CYS B 285 ? 0.8186 1.0549 0.8624 -0.0430 -0.0788 -0.0076 280 CYS B N 5032 C CA . CYS B 285 ? 0.8230 1.0674 0.8672 -0.0365 -0.0866 0.0001 280 CYS B CA 5033 C C . CYS B 285 ? 0.8726 1.1203 0.9021 -0.0369 -0.0969 -0.0032 280 CYS B C 5034 O O . CYS B 285 ? 0.8601 1.1102 0.8906 -0.0432 -0.1013 -0.0125 280 CYS B O 5035 C CB . CYS B 285 ? 0.8123 1.0698 0.8821 -0.0354 -0.0907 0.0017 280 CYS B CB 5036 S SG . CYS B 285 ? 0.8200 1.0732 0.9052 -0.0337 -0.0798 0.0057 280 CYS B SG 5037 N N . PRO B 286 ? 0.7923 1.0395 0.8073 -0.0304 -0.1009 0.0046 281 PRO B N 5038 C CA . PRO B 286 ? 0.7023 0.9507 0.6983 -0.0298 -0.1104 0.0022 281 PRO B CA 5039 C C . PRO B 286 ? 0.8135 1.0754 0.8225 -0.0336 -0.1230 -0.0045 281 PRO B C 5040 O O . PRO B 286 ? 0.8642 1.1383 0.8918 -0.0310 -0.1292 -0.0005 281 PRO B O 5041 C CB . PRO B 286 ? 0.6400 0.8887 0.6257 -0.0215 -0.1124 0.0145 281 PRO B CB 5042 C CG . PRO B 286 ? 0.7629 1.0141 0.7690 -0.0186 -0.1076 0.0222 281 PRO B CG 5043 C CD . PRO B 286 ? 0.7775 1.0229 0.7935 -0.0236 -0.0972 0.0165 281 PRO B CD 5044 N N . GLY B 287 ? 0.8621 1.1215 0.8618 -0.0398 -0.1270 -0.0149 282 GLY B N 5045 C CA . GLY B 287 ? 0.7729 1.0454 0.7844 -0.0446 -0.1397 -0.0220 282 GLY B CA 5046 C C . GLY B 287 ? 0.8194 1.0982 0.8565 -0.0527 -0.1368 -0.0292 282 GLY B C 5047 O O . GLY B 287 ? 0.9512 1.2402 0.9991 -0.0588 -0.1460 -0.0367 282 GLY B O 5048 N N . THR B 288 ? 0.7691 1.0420 0.8156 -0.0530 -0.1242 -0.0269 283 THR B N 5049 C CA . THR B 288 ? 0.7372 1.0158 0.8074 -0.0600 -0.1197 -0.0323 283 THR B CA 5050 C C . THR B 288 ? 0.7480 1.0127 0.8090 -0.0679 -0.1123 -0.0403 283 THR B C 5051 O O . THR B 288 ? 0.7985 1.0476 0.8357 -0.0663 -0.1078 -0.0406 283 THR B O 5052 C CB . THR B 288 ? 0.6715 0.9523 0.7585 -0.0557 -0.1107 -0.0253 283 THR B CB 5053 O OG1 . THR B 288 ? 0.7561 1.0203 0.8285 -0.0535 -0.0991 -0.0219 283 THR B OG1 5054 C CG2 . THR B 288 ? 0.7138 1.0046 0.8078 -0.0470 -0.1174 -0.0167 283 THR B CG2 5055 N N . LYS B 289 ? 0.8242 1.0949 0.9045 -0.0761 -0.1108 -0.0465 284 LYS B N 5056 C CA . LYS B 289 ? 0.8652 1.1224 0.9403 -0.0842 -0.1032 -0.0535 284 LYS B CA 5057 C C . LYS B 289 ? 0.8595 1.1211 0.9573 -0.0879 -0.0939 -0.0528 284 LYS B C 5058 O O . LYS B 289 ? 0.7959 1.0744 0.9164 -0.0869 -0.0963 -0.0506 284 LYS B O 5059 C CB . LYS B 289 ? 0.9162 1.1744 0.9885 -0.0932 -0.1127 -0.0635 284 LYS B CB 5060 C CG . LYS B 289 ? 1.1317 1.3831 1.1776 -0.0900 -0.1217 -0.0656 284 LYS B CG 5061 C CD . LYS B 289 ? 1.2806 1.5366 1.3278 -0.0989 -0.1339 -0.0757 284 LYS B CD 5062 C CE . LYS B 289 ? 1.2678 1.5486 1.3431 -0.1011 -0.1441 -0.0752 284 LYS B CE 5063 N NZ . LYS B 289 ? 1.3821 1.6691 1.4623 -0.1112 -0.1564 -0.0852 284 LYS B NZ 5064 N N . VAL B 290 ? 0.7867 1.0330 0.8779 -0.0915 -0.0831 -0.0547 285 VAL B N 5065 C CA . VAL B 290 ? 0.7070 0.9556 0.8164 -0.0947 -0.0734 -0.0537 285 VAL B CA 5066 C C . VAL B 290 ? 0.7659 1.0051 0.8756 -0.1055 -0.0690 -0.0609 285 VAL B C 5067 O O . VAL B 290 ? 0.7856 1.0069 0.8751 -0.1073 -0.0669 -0.0642 285 VAL B O 5068 C CB . VAL B 290 ? 0.6750 0.9136 0.7779 -0.0872 -0.0629 -0.0463 285 VAL B CB 5069 C CG1 . VAL B 290 ? 0.7081 0.9482 0.8273 -0.0904 -0.0533 -0.0458 285 VAL B CG1 5070 C CG2 . VAL B 290 ? 0.6024 0.8491 0.7062 -0.0773 -0.0670 -0.0387 285 VAL B CG2 5071 N N . HIS B 291 ? 0.8902 1.1413 1.0230 -0.1124 -0.0672 -0.0631 286 HIS B N 5072 C CA . HIS B 291 ? 0.9347 1.1775 1.0702 -0.1236 -0.0624 -0.0688 286 HIS B CA 5073 C C . HIS B 291 ? 0.9403 1.1798 1.0851 -0.1245 -0.0491 -0.0653 286 HIS B C 5074 O O . HIS B 291 ? 0.9243 1.1765 1.0839 -0.1196 -0.0459 -0.0605 286 HIS B O 5075 C CB . HIS B 291 ? 1.0211 1.2803 1.1756 -0.1333 -0.0714 -0.0749 286 HIS B CB 5076 C CG . HIS B 291 ? 1.1461 1.4053 1.2888 -0.1345 -0.0849 -0.0802 286 HIS B CG 5077 N ND1 . HIS B 291 ? 1.0640 1.3341 1.2039 -0.1262 -0.0946 -0.0774 286 HIS B ND1 5078 C CD2 . HIS B 291 ? 1.2459 1.4942 1.3775 -0.1430 -0.0906 -0.0881 286 HIS B CD2 5079 C CE1 . HIS B 291 ? 1.1970 1.4637 1.3238 -0.1293 -0.1057 -0.0833 286 HIS B CE1 5080 N NE2 . HIS B 291 ? 1.3011 1.5545 1.4227 -0.1395 -0.1037 -0.0904 286 HIS B NE2 5081 N N . VAL B 292 ? 0.7371 0.9585 0.8719 -0.1305 -0.0417 -0.0676 287 VAL B N 5082 C CA . VAL B 292 ? 0.7172 0.9341 0.8586 -0.1321 -0.0294 -0.0644 287 VAL B CA 5083 C C . VAL B 292 ? 0.7713 0.9983 0.9335 -0.1439 -0.0276 -0.0679 287 VAL B C 5084 O O . VAL B 292 ? 0.7746 0.9898 0.9322 -0.1536 -0.0267 -0.0725 287 VAL B O 5085 C CB . VAL B 292 ? 0.6990 0.8900 0.8181 -0.1311 -0.0214 -0.0636 287 VAL B CB 5086 C CG1 . VAL B 292 ? 0.6700 0.8566 0.7948 -0.1320 -0.0093 -0.0595 287 VAL B CG1 5087 C CG2 . VAL B 292 ? 0.6375 0.8203 0.7377 -0.1199 -0.0229 -0.0600 287 VAL B CG2 5088 N N . GLU B 293 ? 0.6864 0.9351 0.8717 -0.1429 -0.0269 -0.0657 288 GLU B N 5089 C CA . GLU B 293 ? 0.6684 0.9314 0.8771 -0.1535 -0.0247 -0.0682 288 GLU B CA 5090 C C . GLU B 293 ? 0.7619 1.0334 0.9842 -0.1506 -0.0133 -0.0633 288 GLU B C 5091 O O . GLU B 293 ? 0.8060 1.0857 1.0314 -0.1401 -0.0127 -0.0593 288 GLU B O 5092 C CB . GLU B 293 ? 0.7089 0.9954 0.9366 -0.1559 -0.0370 -0.0717 288 GLU B CB 5093 C CG . GLU B 293 ? 0.8083 1.0887 1.0211 -0.1564 -0.0500 -0.0763 288 GLU B CG 5094 C CD . GLU B 293 ? 0.8614 1.1657 1.0905 -0.1544 -0.0629 -0.0777 288 GLU B CD 5095 O OE1 . GLU B 293 ? 0.7327 1.0565 0.9814 -0.1489 -0.0615 -0.0739 288 GLU B OE1 5096 O OE2 . GLU B 293 ? 1.0058 1.3090 1.2274 -0.1578 -0.0747 -0.0828 288 GLU B OE2 5097 N N . GLU B 294 ? 0.7983 1.0674 1.0282 -0.1600 -0.0042 -0.0637 289 GLU B N 5098 C CA . GLU B 294 ? 0.7817 1.0586 1.0232 -0.1578 0.0075 -0.0594 289 GLU B CA 5099 C C . GLU B 294 ? 0.7554 1.0623 1.0259 -0.1572 0.0053 -0.0598 289 GLU B C 5100 O O . GLU B 294 ? 0.7908 1.1075 1.0728 -0.1543 0.0146 -0.0568 289 GLU B O 5101 C CB . GLU B 294 ? 0.8181 1.0826 1.0575 -0.1682 0.0184 -0.0589 289 GLU B CB 5102 C CG . GLU B 294 ? 0.8112 1.0465 1.0233 -0.1656 0.0243 -0.0565 289 GLU B CG 5103 C CD . GLU B 294 ? 0.8308 1.0622 1.0360 -0.1556 0.0335 -0.0509 289 GLU B CD 5104 O OE1 . GLU B 294 ? 0.8445 1.0855 1.0519 -0.1450 0.0300 -0.0493 289 GLU B OE1 5105 O OE2 . GLU B 294 ? 0.9998 1.2177 1.1968 -0.1584 0.0437 -0.0480 289 GLU B OE2 5106 N N . THR B 295 ? 0.6849 1.0066 0.9668 -0.1595 -0.0071 -0.0635 290 THR B N 5107 C CA . THR B 295 ? 0.7025 1.0540 1.0133 -0.1584 -0.0108 -0.0641 290 THR B CA 5108 C C . THR B 295 ? 0.6686 1.0284 0.9789 -0.1441 -0.0175 -0.0616 290 THR B C 5109 O O . THR B 295 ? 0.7031 1.0867 1.0360 -0.1402 -0.0209 -0.0615 290 THR B O 5110 C CB . THR B 295 ? 0.6963 1.0618 1.0230 -0.1694 -0.0217 -0.0694 290 THR B CB 5111 O OG1 . THR B 295 ? 0.7510 1.1083 1.0614 -0.1664 -0.0352 -0.0721 290 THR B OG1 5112 C CG2 . THR B 295 ? 0.6207 0.9762 0.9480 -0.1847 -0.0158 -0.0718 290 THR B CG2 5113 N N . CYS B 296 ? 0.8507 1.1910 1.1360 -0.1363 -0.0193 -0.0594 291 CYS B N 5114 C CA . CYS B 296 ? 0.8042 1.1489 1.0864 -0.1232 -0.0255 -0.0563 291 CYS B CA 5115 C C . CYS B 296 ? 0.7363 1.0892 1.0294 -0.1147 -0.0171 -0.0526 291 CYS B C 5116 O O . CYS B 296 ? 0.7891 1.1423 1.0884 -0.1183 -0.0055 -0.0523 291 CYS B O 5117 C CB . CYS B 296 ? 0.7038 1.0251 0.9569 -0.1179 -0.0278 -0.0542 291 CYS B CB 5118 S SG . CYS B 296 ? 0.8285 1.1533 1.0766 -0.1030 -0.0357 -0.0494 291 CYS B SG 5119 N N . GLY B 297 ? 0.5804 0.9392 0.8749 -0.1032 -0.0229 -0.0498 292 GLY B N 5120 C CA . GLY B 297 ? 0.5031 0.8678 0.8063 -0.0939 -0.0162 -0.0470 292 GLY B CA 5121 C C . GLY B 297 ? 0.5585 0.9013 0.8415 -0.0904 -0.0064 -0.0440 292 GLY B C 5122 O O . GLY B 297 ? 0.6703 0.9936 0.9319 -0.0927 -0.0066 -0.0431 292 GLY B O 5123 N N . THR B 298 ? 0.7665 1.1128 1.0564 -0.0845 0.0020 -0.0426 293 THR B N 5124 C CA . THR B 298 ? 0.7000 1.0266 0.9714 -0.0802 0.0101 -0.0399 293 THR B CA 5125 C C . THR B 298 ? 0.6811 0.9975 0.9398 -0.0704 0.0029 -0.0363 293 THR B C 5126 O O . THR B 298 ? 0.7398 1.0665 1.0067 -0.0653 -0.0066 -0.0356 293 THR B O 5127 C CB . THR B 298 ? 0.6171 0.9500 0.8983 -0.0763 0.0208 -0.0401 293 THR B CB 5128 O OG1 . THR B 298 ? 0.6315 0.9817 0.9305 -0.0675 0.0165 -0.0404 293 THR B OG1 5129 C CG2 . THR B 298 ? 0.6852 1.0267 0.9773 -0.0866 0.0299 -0.0424 293 THR B CG2 5130 N N . ARG B 299 ? 0.5356 0.8321 0.7748 -0.0681 0.0074 -0.0336 294 ARG B N 5131 C CA . ARG B 299 ? 0.6248 0.9110 0.8522 -0.0597 0.0016 -0.0295 294 ARG B CA 5132 C C . ARG B 299 ? 0.6452 0.9398 0.8844 -0.0499 -0.0002 -0.0284 294 ARG B C 5133 O O . ARG B 299 ? 0.6441 0.9435 0.8918 -0.0477 0.0070 -0.0302 294 ARG B O 5134 C CB . ARG B 299 ? 0.6657 0.9305 0.8723 -0.0596 0.0072 -0.0270 294 ARG B CB 5135 C CG . ARG B 299 ? 0.8265 1.0861 1.0316 -0.0604 0.0183 -0.0279 294 ARG B CG 5136 C CD . ARG B 299 ? 0.6876 0.9315 0.8786 -0.0539 0.0200 -0.0245 294 ARG B CD 5137 N NE . ARG B 299 ? 0.7156 0.9464 0.8911 -0.0538 0.0155 -0.0211 294 ARG B NE 5138 C CZ . ARG B 299 ? 0.7825 1.0018 0.9477 -0.0482 0.0140 -0.0173 294 ARG B CZ 5139 N NH1 . ARG B 299 ? 0.7433 0.9529 0.8960 -0.0484 0.0107 -0.0140 294 ARG B NH1 5140 N NH2 . ARG B 299 ? 0.7109 0.9285 0.8786 -0.0423 0.0160 -0.0168 294 ARG B NH2 5141 N N . GLY B 300 ? 0.4330 0.7286 0.6718 -0.0436 -0.0098 -0.0253 295 GLY B N 5142 C CA . GLY B 300 ? 0.4421 0.7433 0.6911 -0.0338 -0.0130 -0.0238 295 GLY B CA 5143 C C . GLY B 300 ? 0.6048 0.8950 0.8425 -0.0278 -0.0206 -0.0182 295 GLY B C 5144 O O . GLY B 300 ? 0.5441 0.8211 0.7650 -0.0309 -0.0209 -0.0155 295 GLY B O 5145 N N . PRO B 301 ? 0.5659 0.8613 0.8133 -0.0192 -0.0264 -0.0162 296 PRO B N 5146 C CA . PRO B 301 ? 0.5103 0.7959 0.7488 -0.0135 -0.0339 -0.0100 296 PRO B CA 5147 C C . PRO B 301 ? 0.5745 0.8599 0.8034 -0.0175 -0.0408 -0.0070 296 PRO B C 5148 O O . PRO B 301 ? 0.5706 0.8691 0.8068 -0.0214 -0.0445 -0.0100 296 PRO B O 5149 C CB . PRO B 301 ? 0.5053 0.8010 0.7602 -0.0045 -0.0397 -0.0094 296 PRO B CB 5150 C CG . PRO B 301 ? 0.5211 0.8264 0.7899 -0.0037 -0.0319 -0.0154 296 PRO B CG 5151 C CD . PRO B 301 ? 0.5407 0.8516 0.8085 -0.0139 -0.0258 -0.0194 296 PRO B CD 5152 N N . SER B 302 ? 0.6936 0.9649 0.9065 -0.0166 -0.0425 -0.0016 297 SER B N 5153 C CA . SER B 302 ? 0.6994 0.9693 0.9005 -0.0196 -0.0480 0.0013 297 SER B CA 5154 C C . SER B 302 ? 0.6339 0.9163 0.8435 -0.0157 -0.0586 0.0032 297 SER B C 5155 O O . SER B 302 ? 0.5795 0.8628 0.7959 -0.0082 -0.0634 0.0073 297 SER B O 5156 C CB . SER B 302 ? 0.6334 0.8874 0.8179 -0.0180 -0.0473 0.0079 297 SER B CB 5157 O OG . SER B 302 ? 0.6370 0.8897 0.8086 -0.0205 -0.0514 0.0103 297 SER B OG 5158 N N . LEU B 303 ? 0.6502 0.9415 0.8591 -0.0207 -0.0628 0.0002 298 LEU B N 5159 C CA . LEU B 303 ? 0.6606 0.9649 0.8770 -0.0176 -0.0738 0.0014 298 LEU B CA 5160 C C . LEU B 303 ? 0.6536 0.9512 0.8513 -0.0175 -0.0801 0.0065 298 LEU B C 5161 O O . LEU B 303 ? 0.6587 0.9459 0.8397 -0.0224 -0.0758 0.0061 298 LEU B O 5162 C CB . LEU B 303 ? 0.6669 0.9880 0.8975 -0.0233 -0.0756 -0.0059 298 LEU B CB 5163 C CG . LEU B 303 ? 0.6202 0.9481 0.8673 -0.0253 -0.0668 -0.0113 298 LEU B CG 5164 C CD1 . LEU B 303 ? 0.6140 0.9579 0.8740 -0.0330 -0.0680 -0.0179 298 LEU B CD1 5165 C CD2 . LEU B 303 ? 0.6511 0.9851 0.9140 -0.0160 -0.0675 -0.0094 298 LEU B CD2 5166 N N . ARG B 304 ? 0.5454 0.8488 0.7454 -0.0115 -0.0900 0.0114 299 ARG B N 5167 C CA . ARG B 304 ? 0.5925 0.8904 0.7739 -0.0107 -0.0962 0.0169 299 ARG B CA 5168 C C . ARG B 304 ? 0.6008 0.9092 0.7796 -0.0154 -0.1035 0.0119 299 ARG B C 5169 O O . ARG B 304 ? 0.5957 0.9193 0.7918 -0.0170 -0.1077 0.0064 299 ARG B O 5170 C CB . ARG B 304 ? 0.6152 0.9122 0.7981 -0.0018 -0.1034 0.0259 299 ARG B CB 5171 C CG . ARG B 304 ? 0.6250 0.9121 0.7863 -0.0002 -0.1063 0.0340 299 ARG B CG 5172 C CD . ARG B 304 ? 0.5979 0.8830 0.7616 0.0081 -0.1131 0.0437 299 ARG B CD 5173 N NE . ARG B 304 ? 0.7215 1.0210 0.8971 0.0123 -0.1242 0.0431 299 ARG B NE 5174 C CZ . ARG B 304 ? 0.7634 1.0637 0.9457 0.0204 -0.1315 0.0503 299 ARG B CZ 5175 N NH1 . ARG B 304 ? 0.6270 0.9136 0.8052 0.0245 -0.1287 0.0586 299 ARG B NH1 5176 N NH2 . ARG B 304 ? 0.7115 1.0260 0.9051 0.0244 -0.1420 0.0494 299 ARG B NH2 5177 N N . SER B 305 ? 0.6510 0.9515 0.8081 -0.0177 -0.1051 0.0134 300 SER B N 5178 C CA . SER B 305 ? 0.6431 0.9508 0.7939 -0.0224 -0.1126 0.0081 300 SER B CA 5179 C C . SER B 305 ? 0.6648 0.9861 0.8230 -0.0174 -0.1261 0.0107 300 SER B C 5180 O O . SER B 305 ? 0.7280 1.0600 0.8885 -0.0212 -0.1342 0.0052 300 SER B O 5181 C CB . SER B 305 ? 0.5929 0.8872 0.7163 -0.0246 -0.1106 0.0092 300 SER B CB 5182 O OG . SER B 305 ? 0.7068 0.9954 0.8171 -0.0176 -0.1136 0.0191 300 SER B OG 5183 N N . THR B 306 ? 0.7424 1.0628 0.9043 -0.0089 -0.1290 0.0193 301 THR B N 5184 C CA . THR B 306 ? 0.8322 1.1647 1.0019 -0.0028 -0.1419 0.0230 301 THR B CA 5185 C C . THR B 306 ? 0.8591 1.2013 1.0552 0.0028 -0.1425 0.0235 301 THR B C 5186 O O . THR B 306 ? 0.9372 1.2711 1.1386 0.0053 -0.1340 0.0258 301 THR B O 5187 C CB . THR B 306 ? 0.7539 1.0769 0.9041 0.0036 -0.1469 0.0338 301 THR B CB 5188 O OG1 . THR B 306 ? 0.7960 1.1073 0.9473 0.0082 -0.1398 0.0413 301 THR B OG1 5189 C CG2 . THR B 306 ? 0.6895 1.0029 0.8123 -0.0008 -0.1453 0.0334 301 THR B CG2 5190 N N . THR B 307 ? 0.7508 1.1108 0.9635 0.0050 -0.1527 0.0211 302 THR B N 5191 C CA . THR B 307 ? 0.8661 1.2365 1.1041 0.0121 -0.1542 0.0218 302 THR B CA 5192 C C . THR B 307 ? 0.8696 1.2322 1.1030 0.0225 -0.1597 0.0326 302 THR B C 5193 O O . THR B 307 ? 0.8536 1.2042 1.0648 0.0235 -0.1623 0.0397 302 THR B O 5194 C CB . THR B 307 ? 0.8713 1.2654 1.1311 0.0116 -0.1636 0.0160 302 THR B CB 5195 O OG1 . THR B 307 ? 0.9718 1.3711 1.2225 0.0147 -0.1779 0.0202 302 THR B OG1 5196 C CG2 . THR B 307 ? 0.7292 1.1307 0.9938 0.0001 -0.1587 0.0058 302 THR B CG2 5197 N N . ALA B 308 ? 0.7706 1.1399 1.0250 0.0304 -0.1615 0.0340 303 ALA B N 5198 C CA . ALA B 308 ? 0.6606 1.0216 0.9130 0.0407 -0.1672 0.0441 303 ALA B CA 5199 C C . ALA B 308 ? 0.7745 1.1412 1.0179 0.0444 -0.1816 0.0501 303 ALA B C 5200 O O . ALA B 308 ? 0.8846 1.2410 1.1181 0.0513 -0.1866 0.0604 303 ALA B O 5201 C CB . ALA B 308 ? 0.6245 0.9923 0.9023 0.0488 -0.1666 0.0428 303 ALA B CB 5202 N N . SER B 309 ? 0.7763 1.1590 1.0228 0.0396 -0.1884 0.0438 304 SER B N 5203 C CA . SER B 309 ? 0.8122 1.2010 1.0480 0.0421 -0.2028 0.0482 304 SER B CA 5204 C C . SER B 309 ? 0.8840 1.2607 1.0888 0.0354 -0.2015 0.0495 304 SER B C 5205 O O . SER B 309 ? 0.9310 1.3110 1.1215 0.0363 -0.2125 0.0522 304 SER B O 5206 C CB . SER B 309 ? 0.8643 1.2777 1.1206 0.0405 -0.2124 0.0403 304 SER B CB 5207 O OG . SER B 309 ? 0.8550 1.2737 1.1114 0.0289 -0.2069 0.0299 304 SER B OG 5208 N N . GLY B 310 ? 0.8771 1.2402 1.0712 0.0292 -0.1881 0.0473 305 GLY B N 5209 C CA . GLY B 310 ? 0.7736 1.1248 0.9392 0.0234 -0.1849 0.0479 305 GLY B CA 5210 C C . GLY B 310 ? 0.8136 1.1737 0.9764 0.0143 -0.1869 0.0369 305 GLY B C 5211 O O . GLY B 310 ? 0.8642 1.2156 1.0031 0.0097 -0.1854 0.0357 305 GLY B O 5212 N N . ARG B 311 ? 0.6875 1.0650 0.8753 0.0118 -0.1901 0.0288 306 ARG B N 5213 C CA . ARG B 311 ? 0.7507 1.1375 0.9396 0.0023 -0.1928 0.0181 306 ARG B CA 5214 C C . ARG B 311 ? 0.7196 1.0942 0.8998 -0.0066 -0.1787 0.0120 306 ARG B C 5215 O O . ARG B 311 ? 0.7131 1.0845 0.9057 -0.0072 -0.1675 0.0110 306 ARG B O 5216 C CB . ARG B 311 ? 0.8246 1.2344 1.0456 0.0016 -0.1987 0.0118 306 ARG B CB 5217 C CG . ARG B 311 ? 0.7763 1.1980 1.0006 -0.0084 -0.2049 0.0016 306 ARG B CG 5218 C CD . ARG B 311 ? 0.7338 1.1813 0.9908 -0.0079 -0.2135 -0.0026 306 ARG B CD 5219 N NE . ARG B 311 ? 0.6892 1.1446 0.9710 -0.0127 -0.2020 -0.0086 306 ARG B NE 5220 C CZ . ARG B 311 ? 0.7794 1.2399 1.0819 -0.0057 -0.1956 -0.0058 306 ARG B CZ 5221 N NH1 . ARG B 311 ? 0.6872 1.1549 1.0097 -0.0107 -0.1847 -0.0116 306 ARG B NH1 5222 N NH2 . ARG B 311 ? 0.7686 1.2264 1.0710 0.0063 -0.1999 0.0029 306 ARG B NH2 5223 N N . VAL B 312 ? 0.6945 1.0619 0.8527 -0.0129 -0.1797 0.0078 307 VAL B N 5224 C CA . VAL B 312 ? 0.6376 0.9913 0.7844 -0.0204 -0.1671 0.0027 307 VAL B CA 5225 C C . VAL B 312 ? 0.6062 0.9689 0.7671 -0.0306 -0.1661 -0.0088 307 VAL B C 5226 O O . VAL B 312 ? 0.7217 1.0922 0.8803 -0.0354 -0.1762 -0.0147 307 VAL B O 5227 C CB . VAL B 312 ? 0.6876 1.0259 0.8009 -0.0211 -0.1669 0.0045 307 VAL B CB 5228 C CG1 . VAL B 312 ? 0.7390 1.0617 0.8414 -0.0265 -0.1525 0.0012 307 VAL B CG1 5229 C CG2 . VAL B 312 ? 0.5796 0.9114 0.6788 -0.0115 -0.1696 0.0167 307 VAL B CG2 5230 N N . ILE B 313 ? 0.5927 0.9537 0.7678 -0.0342 -0.1541 -0.0117 308 ILE B N 5231 C CA . ILE B 313 ? 0.5776 0.9461 0.7670 -0.0443 -0.1513 -0.0215 308 ILE B CA 5232 C C . ILE B 313 ? 0.6521 1.0043 0.8187 -0.0523 -0.1462 -0.0270 308 ILE B C 5233 O O . ILE B 313 ? 0.6867 1.0214 0.8358 -0.0507 -0.1365 -0.0238 308 ILE B O 5234 C CB . ILE B 313 ? 0.4655 0.8381 0.6775 -0.0448 -0.1397 -0.0222 308 ILE B CB 5235 C CG1 . ILE B 313 ? 0.6119 1.0068 0.8533 -0.0404 -0.1461 -0.0217 308 ILE B CG1 5236 C CG2 . ILE B 313 ? 0.5513 0.9211 0.7670 -0.0560 -0.1314 -0.0304 308 ILE B CG2 5237 C CD1 . ILE B 313 ? 0.5941 0.9912 0.8356 -0.0284 -0.1534 -0.0130 308 ILE B CD1 5238 N N . GLU B 314 ? 0.7515 1.1094 0.9190 -0.0608 -0.1532 -0.0354 309 GLU B N 5239 C CA . GLU B 314 ? 0.8178 1.1594 0.9620 -0.0678 -0.1506 -0.0413 309 GLU B CA 5240 C C . GLU B 314 ? 0.7928 1.1250 0.9418 -0.0754 -0.1370 -0.0459 309 GLU B C 5241 O O . GLU B 314 ? 0.8758 1.1895 1.0063 -0.0745 -0.1272 -0.0443 309 GLU B O 5242 C CB . GLU B 314 ? 0.9022 1.2517 1.0441 -0.0744 -0.1646 -0.0492 309 GLU B CB 5243 C CG . GLU B 314 ? 0.9950 1.3282 1.1026 -0.0738 -0.1689 -0.0510 309 GLU B CG 5244 C CD . GLU B 314 ? 1.1130 1.4482 1.2162 -0.0832 -0.1797 -0.0616 309 GLU B CD 5245 O OE1 . GLU B 314 ? 1.0808 1.4168 1.1976 -0.0935 -0.1761 -0.0690 309 GLU B OE1 5246 O OE2 . GLU B 314 ? 1.2168 1.5521 1.3021 -0.0806 -0.1919 -0.0625 309 GLU B OE2 5247 N N . GLU B 315 ? 0.6762 1.0217 0.8503 -0.0828 -0.1364 -0.0510 310 GLU B N 5248 C CA . GLU B 315 ? 0.5870 0.9235 0.7645 -0.0915 -0.1247 -0.0558 310 GLU B CA 5249 C C . GLU B 315 ? 0.5447 0.8820 0.7368 -0.0882 -0.1118 -0.0512 310 GLU B C 5250 O O . GLU B 315 ? 0.5657 0.9198 0.7801 -0.0841 -0.1129 -0.0484 310 GLU B O 5251 C CB . GLU B 315 ? 0.6402 0.9886 0.8347 -0.1032 -0.1305 -0.0643 310 GLU B CB 5252 C CG . GLU B 315 ? 0.8672 1.2085 1.0429 -0.1088 -0.1414 -0.0710 310 GLU B CG 5253 C CD . GLU B 315 ? 1.1326 1.4907 1.3288 -0.1194 -0.1516 -0.0786 310 GLU B CD 5254 O OE1 . GLU B 315 ? 1.0870 1.4588 1.3107 -0.1249 -0.1466 -0.0795 310 GLU B OE1 5255 O OE2 . GLU B 315 ? 1.2301 1.5880 1.4146 -0.1222 -0.1647 -0.0836 310 GLU B OE2 5256 N N . TRP B 316 ? 0.8513 1.1699 1.0295 -0.0896 -0.0999 -0.0506 311 TRP B N 5257 C CA . TRP B 316 ? 0.7798 1.0954 0.9669 -0.0871 -0.0873 -0.0469 311 TRP B CA 5258 C C . TRP B 316 ? 0.7979 1.1021 0.9826 -0.0964 -0.0773 -0.0516 311 TRP B C 5259 O O . TRP B 316 ? 0.8211 1.1173 0.9955 -0.1041 -0.0800 -0.0573 311 TRP B O 5260 C CB . TRP B 316 ? 0.6401 0.9427 0.8108 -0.0772 -0.0827 -0.0394 311 TRP B CB 5261 C CG . TRP B 316 ? 0.7030 1.0138 0.8742 -0.0678 -0.0916 -0.0334 311 TRP B CG 5262 C CD1 . TRP B 316 ? 0.7424 1.0555 0.9022 -0.0656 -0.1029 -0.0328 311 TRP B CD1 5263 C CD2 . TRP B 316 ? 0.7098 1.0261 0.8923 -0.0591 -0.0900 -0.0268 311 TRP B CD2 5264 N NE1 . TRP B 316 ? 0.7153 1.0352 0.8789 -0.0562 -0.1083 -0.0256 311 TRP B NE1 5265 C CE2 . TRP B 316 ? 0.7401 1.0616 0.9181 -0.0521 -0.1006 -0.0220 311 TRP B CE2 5266 C CE3 . TRP B 316 ? 0.6947 1.0110 0.8895 -0.0563 -0.0808 -0.0247 311 TRP B CE3 5267 C CZ2 . TRP B 316 ? 0.7197 1.0456 0.9060 -0.0428 -0.1023 -0.0150 311 TRP B CZ2 5268 C CZ3 . TRP B 316 ? 0.7247 1.0454 0.9274 -0.0470 -0.0827 -0.0186 311 TRP B CZ3 5269 C CH2 . TRP B 316 ? 0.6993 1.0244 0.8982 -0.0404 -0.0934 -0.0137 311 TRP B CH2 5270 N N . CYS B 317 ? 0.7385 1.0405 0.9314 -0.0955 -0.0659 -0.0491 312 CYS B N 5271 C CA . CYS B 317 ? 0.7672 1.0589 0.9591 -0.1039 -0.0558 -0.0524 312 CYS B CA 5272 C C . CYS B 317 ? 0.7216 1.0039 0.9109 -0.0990 -0.0436 -0.0476 312 CYS B C 5273 O O . CYS B 317 ? 0.6788 0.9649 0.8709 -0.0899 -0.0432 -0.0425 312 CYS B O 5274 C CB . CYS B 317 ? 0.7581 1.0665 0.9742 -0.1133 -0.0563 -0.0572 312 CYS B CB 5275 S SG . CYS B 317 ? 0.8494 1.1820 1.0954 -0.1079 -0.0535 -0.0540 312 CYS B SG 5276 N N . CYS B 318 ? 0.6808 0.9499 0.8639 -0.1052 -0.0343 -0.0493 313 CYS B N 5277 C CA . CYS B 318 ? 0.6386 0.8997 0.8204 -0.1019 -0.0228 -0.0455 313 CYS B CA 5278 C C . CYS B 318 ? 0.6581 0.9142 0.8440 -0.1117 -0.0141 -0.0484 313 CYS B C 5279 O O . CYS B 318 ? 0.6434 0.8920 0.8234 -0.1202 -0.0157 -0.0527 313 CYS B O 5280 C CB . CYS B 318 ? 0.6618 0.9041 0.8210 -0.0952 -0.0202 -0.0413 313 CYS B CB 5281 S SG . CYS B 318 ? 0.6347 0.8550 0.7701 -0.1004 -0.0191 -0.0445 313 CYS B SG 5282 N N . ARG B 319 ? 0.7158 0.9753 0.9110 -0.1105 -0.0049 -0.0461 314 ARG B N 5283 C CA . ARG B 319 ? 0.6879 0.9442 0.8883 -0.1195 0.0044 -0.0478 314 ARG B CA 5284 C C . ARG B 319 ? 0.7311 0.9634 0.9104 -0.1240 0.0087 -0.0482 314 ARG B C 5285 O O . ARG B 319 ? 0.7710 0.9987 0.9509 -0.1341 0.0090 -0.0519 314 ARG B O 5286 C CB . ARG B 319 ? 0.7423 1.0036 0.9510 -0.1152 0.0141 -0.0445 314 ARG B CB 5287 C CG . ARG B 319 ? 0.6447 0.9308 0.8776 -0.1122 0.0120 -0.0450 314 ARG B CG 5288 C CD . ARG B 319 ? 0.7492 1.0501 1.0020 -0.1228 0.0147 -0.0484 314 ARG B CD 5289 N NE . ARG B 319 ? 0.8063 1.1123 1.0682 -0.1232 0.0270 -0.0468 314 ARG B NE 5290 C CZ . ARG B 319 ? 0.7114 1.0380 0.9936 -0.1187 0.0293 -0.0467 314 ARG B CZ 5291 N NH1 . ARG B 319 ? 0.8017 1.1313 1.0892 -0.1189 0.0414 -0.0454 314 ARG B NH1 5292 N NH2 . ARG B 319 ? 0.6508 0.9946 0.9471 -0.1134 0.0195 -0.0478 314 ARG B NH2 5293 N N . GLU B 320 ? 0.8021 1.0188 0.9635 -0.1164 0.0116 -0.0444 315 GLU B N 5294 C CA . GLU B 320 ? 0.8284 1.0223 0.9703 -0.1189 0.0162 -0.0443 315 GLU B CA 5295 C C . GLU B 320 ? 0.7627 0.9436 0.8862 -0.1093 0.0155 -0.0405 315 GLU B C 5296 O O . GLU B 320 ? 0.7044 0.8687 0.8144 -0.1079 0.0219 -0.0382 315 GLU B O 5297 C CB . GLU B 320 ? 0.8733 1.0604 1.0166 -0.1235 0.0274 -0.0426 315 GLU B CB 5298 C CG . GLU B 320 ? 0.9207 1.1172 1.0726 -0.1173 0.0331 -0.0388 315 GLU B CG 5299 C CD . GLU B 320 ? 1.0840 1.2819 1.2436 -0.1238 0.0432 -0.0383 315 GLU B CD 5300 O OE1 . GLU B 320 ? 0.8927 1.0813 1.0491 -0.1332 0.0464 -0.0399 315 GLU B OE1 5301 O OE2 . GLU B 320 ? 1.1857 1.3937 1.3542 -0.1195 0.0481 -0.0364 315 GLU B OE2 5302 N N . CYS B 321 ? 0.7305 0.9194 0.8539 -0.1027 0.0076 -0.0395 316 CYS B N 5303 C CA . CYS B 321 ? 0.7222 0.9005 0.8293 -0.0944 0.0065 -0.0357 316 CYS B CA 5304 C C . CYS B 321 ? 0.7399 0.9047 0.8301 -0.0966 0.0039 -0.0387 316 CYS B C 5305 O O . CYS B 321 ? 0.7899 0.9512 0.8802 -0.1049 0.0030 -0.0440 316 CYS B O 5306 C CB . CYS B 321 ? 0.6773 0.8686 0.7905 -0.0867 -0.0003 -0.0325 316 CYS B CB 5307 S SG . CYS B 321 ? 0.7976 1.0027 0.9163 -0.0888 -0.0122 -0.0364 316 CYS B SG 5308 N N . THR B 322 ? 0.7043 0.8613 0.7802 -0.0892 0.0028 -0.0355 317 THR B N 5309 C CA . THR B 322 ? 0.6801 0.8234 0.7381 -0.0895 0.0013 -0.0384 317 THR B CA 5310 C C . THR B 322 ? 0.7087 0.8580 0.7600 -0.0842 -0.0065 -0.0378 317 THR B C 5311 O O . THR B 322 ? 0.6506 0.8102 0.7073 -0.0781 -0.0090 -0.0327 317 THR B O 5312 C CB . THR B 322 ? 0.6225 0.7484 0.6663 -0.0853 0.0088 -0.0352 317 THR B CB 5313 O OG1 . THR B 322 ? 0.7015 0.8315 0.7464 -0.0769 0.0102 -0.0283 317 THR B OG1 5314 C CG2 . THR B 322 ? 0.5695 0.6864 0.6161 -0.0910 0.0161 -0.0361 317 THR B CG2 5315 N N . MET B 323 ? 0.7873 0.9288 0.8255 -0.0866 -0.0101 -0.0430 318 MET B N 5316 C CA . MET B 323 ? 0.7247 0.8704 0.7531 -0.0820 -0.0174 -0.0430 318 MET B CA 5317 C C . MET B 323 ? 0.7486 0.8812 0.7574 -0.0745 -0.0131 -0.0400 318 MET B C 5318 O O . MET B 323 ? 0.7655 0.8831 0.7657 -0.0748 -0.0064 -0.0411 318 MET B O 5319 C CB . MET B 323 ? 0.7076 0.8538 0.7329 -0.0890 -0.0252 -0.0513 318 MET B CB 5320 C CG . MET B 323 ? 0.5963 0.7582 0.6431 -0.0967 -0.0302 -0.0544 318 MET B CG 5321 S SD . MET B 323 ? 0.7981 0.9834 0.8594 -0.0914 -0.0389 -0.0498 318 MET B SD 5322 C CE . MET B 323 ? 0.7406 0.9320 0.8182 -0.0875 -0.0305 -0.0426 318 MET B CE 5323 N N . PRO B 324 ? 0.6963 0.8349 0.6983 -0.0675 -0.0168 -0.0357 319 PRO B N 5324 C CA . PRO B 324 ? 0.7390 0.8939 0.7490 -0.0656 -0.0250 -0.0330 319 PRO B CA 5325 C C . PRO B 324 ? 0.7409 0.9073 0.7701 -0.0638 -0.0239 -0.0269 319 PRO B C 5326 O O . PRO B 324 ? 0.7605 0.9219 0.7921 -0.0612 -0.0167 -0.0226 319 PRO B O 5327 C CB . PRO B 324 ? 0.7374 0.8899 0.7301 -0.0578 -0.0258 -0.0287 319 PRO B CB 5328 C CG . PRO B 324 ? 0.7147 0.8539 0.6976 -0.0540 -0.0163 -0.0262 319 PRO B CG 5329 C CD . PRO B 324 ? 0.7328 0.8606 0.7161 -0.0606 -0.0125 -0.0331 319 PRO B CD 5330 N N . PRO B 325 ? 0.7293 0.9109 0.7718 -0.0648 -0.0314 -0.0269 320 PRO B N 5331 C CA . PRO B 325 ? 0.6727 0.8653 0.7348 -0.0635 -0.0309 -0.0229 320 PRO B CA 5332 C C . PRO B 325 ? 0.7198 0.9127 0.7812 -0.0554 -0.0290 -0.0141 320 PRO B C 5333 O O . PRO B 325 ? 0.7202 0.9109 0.7693 -0.0506 -0.0310 -0.0099 320 PRO B O 5334 C CB . PRO B 325 ? 0.7620 0.9703 0.8358 -0.0655 -0.0407 -0.0256 320 PRO B CB 5335 C CG . PRO B 325 ? 0.7849 0.9910 0.8418 -0.0640 -0.0474 -0.0268 320 PRO B CG 5336 C CD . PRO B 325 ? 0.8035 0.9925 0.8424 -0.0663 -0.0415 -0.0307 320 PRO B CD 5337 N N . LEU B 326 ? 0.7115 0.9069 0.7861 -0.0542 -0.0251 -0.0112 321 LEU B N 5338 C CA . LEU B 326 ? 0.6831 0.8788 0.7598 -0.0475 -0.0242 -0.0032 321 LEU B CA 5339 C C . LEU B 326 ? 0.6986 0.9064 0.7833 -0.0437 -0.0327 0.0002 321 LEU B C 5340 O O . LEU B 326 ? 0.7150 0.9336 0.8130 -0.0458 -0.0372 -0.0033 321 LEU B O 5341 C CB . LEU B 326 ? 0.6455 0.8388 0.7323 -0.0474 -0.0181 -0.0024 321 LEU B CB 5342 C CG . LEU B 326 ? 0.6481 0.8383 0.7361 -0.0415 -0.0165 0.0051 321 LEU B CG 5343 C CD1 . LEU B 326 ? 0.7540 0.9352 0.8419 -0.0424 -0.0089 0.0047 321 LEU B CD1 5344 C CD2 . LEU B 326 ? 0.6440 0.8443 0.7462 -0.0380 -0.0219 0.0078 321 LEU B CD2 5345 N N . SER B 327 ? 0.5640 0.7702 0.6415 -0.0382 -0.0346 0.0075 322 SER B N 5346 C CA . SER B 327 ? 0.5839 0.7996 0.6673 -0.0340 -0.0427 0.0121 322 SER B CA 5347 C C . SER B 327 ? 0.6931 0.9052 0.7752 -0.0282 -0.0418 0.0218 322 SER B C 5348 O O . SER B 327 ? 0.7027 0.9061 0.7753 -0.0273 -0.0359 0.0253 322 SER B O 5349 C CB . SER B 327 ? 0.5760 0.7954 0.6479 -0.0344 -0.0495 0.0105 322 SER B CB 5350 O OG . SER B 327 ? 0.7071 0.9174 0.7598 -0.0327 -0.0461 0.0134 322 SER B OG 5351 N N . PHE B 328 ? 0.6237 0.8426 0.7162 -0.0243 -0.0478 0.0262 323 PHE B N 5352 C CA . PHE B 328 ? 0.5995 0.8147 0.6920 -0.0194 -0.0483 0.0358 323 PHE B CA 5353 C C . PHE B 328 ? 0.7494 0.9690 0.8349 -0.0159 -0.0557 0.0419 323 PHE B C 5354 O O . PHE B 328 ? 0.7618 0.9902 0.8533 -0.0150 -0.0633 0.0399 323 PHE B O 5355 C CB . PHE B 328 ? 0.6683 0.8849 0.7780 -0.0171 -0.0492 0.0367 323 PHE B CB 5356 C CG . PHE B 328 ? 0.6871 0.9010 0.8038 -0.0202 -0.0428 0.0300 323 PHE B CG 5357 C CD1 . PHE B 328 ? 0.6585 0.8628 0.7728 -0.0204 -0.0364 0.0321 323 PHE B CD1 5358 C CD2 . PHE B 328 ? 0.6439 0.8654 0.7699 -0.0231 -0.0432 0.0221 323 PHE B CD2 5359 C CE1 . PHE B 328 ? 0.7045 0.9058 0.8235 -0.0230 -0.0308 0.0264 323 PHE B CE1 5360 C CE2 . PHE B 328 ? 0.5630 0.7819 0.6944 -0.0260 -0.0366 0.0167 323 PHE B CE2 5361 C CZ . PHE B 328 ? 0.6519 0.8601 0.7787 -0.0257 -0.0305 0.0189 323 PHE B CZ 5362 N N . ARG B 329 ? 0.7553 0.9694 0.8285 -0.0137 -0.0535 0.0497 324 ARG B N 5363 C CA . ARG B 329 ? 0.6906 0.9079 0.7553 -0.0101 -0.0598 0.0569 324 ARG B CA 5364 C C . ARG B 329 ? 0.6208 0.8360 0.6931 -0.0060 -0.0620 0.0674 324 ARG B C 5365 O O . ARG B 329 ? 0.7210 0.9297 0.7911 -0.0057 -0.0566 0.0739 324 ARG B O 5366 C CB . ARG B 329 ? 0.5939 0.8073 0.6377 -0.0102 -0.0559 0.0590 324 ARG B CB 5367 C CG . ARG B 329 ? 0.7132 0.9258 0.7473 -0.0141 -0.0537 0.0486 324 ARG B CG 5368 C CD . ARG B 329 ? 0.7430 0.9638 0.7832 -0.0162 -0.0621 0.0408 324 ARG B CD 5369 N NE . ARG B 329 ? 0.7892 1.0095 0.8134 -0.0187 -0.0639 0.0341 324 ARG B NE 5370 C CZ . ARG B 329 ? 0.8009 1.0158 0.8202 -0.0232 -0.0589 0.0255 324 ARG B CZ 5371 N NH1 . ARG B 329 ? 0.9018 1.1120 0.9307 -0.0257 -0.0515 0.0232 324 ARG B NH1 5372 N NH2 . ARG B 329 ? 0.7132 0.9265 0.7172 -0.0252 -0.0616 0.0192 324 ARG B NH2 5373 N N . ALA B 330 ? 0.7124 0.9331 0.7944 -0.0030 -0.0704 0.0689 325 ALA B N 5374 C CA . ALA B 330 ? 0.7603 0.9778 0.8489 0.0012 -0.0739 0.0790 325 ALA B CA 5375 C C . ALA B 330 ? 0.8480 1.0692 0.9272 0.0049 -0.0817 0.0861 325 ALA B C 5376 O O . ALA B 330 ? 0.7765 1.0030 0.8439 0.0042 -0.0845 0.0825 325 ALA B O 5377 C CB . ALA B 330 ? 0.6942 0.9131 0.8026 0.0031 -0.0770 0.0755 325 ALA B CB 5378 N N . LYS B 331 ? 1.0799 1.2974 1.1635 0.0089 -0.0857 0.0963 326 LYS B N 5379 C CA . LYS B 331 ? 1.1713 1.3911 1.2452 0.0128 -0.0932 0.1046 326 LYS B CA 5380 C C . LYS B 331 ? 1.1786 1.4079 1.2609 0.0159 -0.1035 0.0995 326 LYS B C 5381 O O . LYS B 331 ? 1.2598 1.4940 1.3312 0.0183 -0.1106 0.1022 326 LYS B O 5382 C CB . LYS B 331 ? 1.2087 1.4202 1.2851 0.0157 -0.0941 0.1181 326 LYS B CB 5383 C CG . LYS B 331 ? 1.3084 1.5146 1.4049 0.0171 -0.0953 0.1177 326 LYS B CG 5384 C CD . LYS B 331 ? 1.2456 1.4552 1.3524 0.0230 -0.1059 0.1186 326 LYS B CD 5385 C CE . LYS B 331 ? 1.3309 1.5343 1.4568 0.0251 -0.1066 0.1170 326 LYS B CE 5386 N NZ . LYS B 331 ? 1.2941 1.5018 1.4317 0.0317 -0.1163 0.1162 326 LYS B NZ 5387 N N . ASP B 332 ? 1.0463 1.2788 1.1476 0.0161 -0.1043 0.0920 327 ASP B N 5388 C CA . ASP B 332 ? 0.9846 1.2281 1.0974 0.0192 -0.1135 0.0868 327 ASP B CA 5389 C C . ASP B 332 ? 0.9215 1.1750 1.0301 0.0148 -0.1142 0.0762 327 ASP B C 5390 O O . ASP B 332 ? 1.0280 1.2928 1.1443 0.0163 -0.1224 0.0717 327 ASP B O 5391 C CB . ASP B 332 ? 0.9049 1.1488 1.0400 0.0216 -0.1133 0.0828 327 ASP B CB 5392 C CG . ASP B 332 ? 0.9398 1.1862 1.0826 0.0165 -0.1054 0.0713 327 ASP B CG 5393 O OD1 . ASP B 332 ? 0.9841 1.2252 1.1160 0.0112 -0.0975 0.0695 327 ASP B OD1 5394 O OD2 . ASP B 332 ? 0.9119 1.1659 1.0717 0.0180 -0.1070 0.0645 327 ASP B OD2 5395 N N . GLY B 333 ? 0.7636 1.0127 0.8604 0.0092 -0.1058 0.0721 328 GLY B N 5396 C CA . GLY B 333 ? 0.7677 1.0233 0.8581 0.0044 -0.1062 0.0622 328 GLY B CA 5397 C C . GLY B 333 ? 0.7900 1.0409 0.8794 -0.0017 -0.0958 0.0545 328 GLY B C 5398 O O . GLY B 333 ? 0.8740 1.1151 0.9583 -0.0024 -0.0875 0.0583 328 GLY B O 5399 N N . CYS B 334 ? 0.9152 1.1731 1.0099 -0.0063 -0.0966 0.0439 329 CYS B N 5400 C CA . CYS B 334 ? 0.8908 1.1438 0.9832 -0.0124 -0.0875 0.0362 329 CYS B CA 5401 C C . CYS B 334 ? 0.8987 1.1580 1.0117 -0.0152 -0.0855 0.0286 329 CYS B C 5402 O O . CYS B 334 ? 0.9720 1.2434 1.0967 -0.0160 -0.0921 0.0238 329 CYS B O 5403 C CB . CYS B 334 ? 0.8979 1.1507 0.9734 -0.0166 -0.0890 0.0304 329 CYS B CB 5404 S SG . CYS B 334 ? 1.0904 1.3367 1.1634 -0.0244 -0.0794 0.0201 329 CYS B SG 5405 N N . TRP B 335 ? 0.7179 0.9698 0.8352 -0.0167 -0.0763 0.0277 330 TRP B N 5406 C CA . TRP B 335 ? 0.6977 0.9543 0.8323 -0.0192 -0.0725 0.0210 330 TRP B CA 5407 C C . TRP B 335 ? 0.6780 0.9297 0.8067 -0.0263 -0.0649 0.0137 330 TRP B C 5408 O O . TRP B 335 ? 0.7018 0.9438 0.8140 -0.0280 -0.0608 0.0148 330 TRP B O 5409 C CB . TRP B 335 ? 0.6482 0.8993 0.7921 -0.0150 -0.0684 0.0251 330 TRP B CB 5410 C CG . TRP B 335 ? 0.6132 0.8666 0.7635 -0.0079 -0.0756 0.0323 330 TRP B CG 5411 C CD1 . TRP B 335 ? 0.6948 0.9435 0.8342 -0.0043 -0.0800 0.0412 330 TRP B CD1 5412 C CD2 . TRP B 335 ? 0.5954 0.8552 0.7641 -0.0032 -0.0788 0.0317 330 TRP B CD2 5413 N NE1 . TRP B 335 ? 0.6668 0.9178 0.8168 0.0020 -0.0863 0.0465 330 TRP B NE1 5414 C CE2 . TRP B 335 ? 0.6251 0.8826 0.7932 0.0032 -0.0858 0.0404 330 TRP B CE2 5415 C CE3 . TRP B 335 ? 0.6877 0.9548 0.8732 -0.0034 -0.0760 0.0247 330 TRP B CE3 5416 C CZ2 . TRP B 335 ? 0.6342 0.8955 0.8179 0.0097 -0.0906 0.0419 330 TRP B CZ2 5417 C CZ3 . TRP B 335 ? 0.7192 0.9913 0.9201 0.0034 -0.0802 0.0259 330 TRP B CZ3 5418 C CH2 . TRP B 335 ? 0.6748 0.9435 0.8748 0.0101 -0.0877 0.0342 330 TRP B CH2 5419 N N . TYR B 336 ? 0.6941 0.9526 0.8366 -0.0302 -0.0626 0.0067 331 TYR B N 5420 C CA . TYR B 336 ? 0.7379 0.9907 0.8758 -0.0373 -0.0551 0.0003 331 TYR B CA 5421 C C . TYR B 336 ? 0.7187 0.9658 0.8633 -0.0374 -0.0461 -0.0002 331 TYR B C 5422 O O . TYR B 336 ? 0.5732 0.8230 0.7288 -0.0325 -0.0462 0.0025 331 TYR B O 5423 C CB . TYR B 336 ? 0.6941 0.9580 0.8407 -0.0435 -0.0587 -0.0075 331 TYR B CB 5424 C CG . TYR B 336 ? 0.7547 1.0165 0.8864 -0.0473 -0.0637 -0.0103 331 TYR B CG 5425 C CD1 . TYR B 336 ? 0.7823 1.0299 0.8960 -0.0507 -0.0580 -0.0121 331 TYR B CD1 5426 C CD2 . TYR B 336 ? 0.7493 1.0228 0.8841 -0.0471 -0.0746 -0.0116 331 TYR B CD2 5427 C CE1 . TYR B 336 ? 0.7742 1.0184 0.8727 -0.0536 -0.0625 -0.0155 331 TYR B CE1 5428 C CE2 . TYR B 336 ? 0.7616 1.0321 0.8808 -0.0504 -0.0798 -0.0150 331 TYR B CE2 5429 C CZ . TYR B 336 ? 0.7993 1.0547 0.8999 -0.0536 -0.0735 -0.0172 331 TYR B CZ 5430 O OH . TYR B 336 ? 0.8504 1.1016 0.9342 -0.0563 -0.0785 -0.0213 331 TYR B OH 5431 N N . GLY B 337 ? 0.6117 0.8498 0.7485 -0.0426 -0.0385 -0.0038 332 GLY B N 5432 C CA . GLY B 337 ? 0.6048 0.8371 0.7459 -0.0433 -0.0300 -0.0047 332 GLY B CA 5433 C C . GLY B 337 ? 0.6549 0.8990 0.8146 -0.0446 -0.0290 -0.0091 332 GLY B C 5434 O O . GLY B 337 ? 0.7244 0.9813 0.8940 -0.0470 -0.0342 -0.0125 332 GLY B O 5435 N N . MET B 338 ? 0.5466 0.7869 0.7109 -0.0430 -0.0224 -0.0091 333 MET B N 5436 C CA . MET B 338 ? 0.5601 0.8114 0.7414 -0.0433 -0.0197 -0.0130 333 MET B CA 5437 C C . MET B 338 ? 0.5815 0.8394 0.7680 -0.0519 -0.0167 -0.0189 333 MET B C 5438 O O . MET B 338 ? 0.6899 0.9631 0.8933 -0.0531 -0.0179 -0.0222 333 MET B O 5439 C CB . MET B 338 ? 0.5643 0.8073 0.7449 -0.0403 -0.0123 -0.0123 333 MET B CB 5440 C CG . MET B 338 ? 0.5774 0.8140 0.7555 -0.0324 -0.0158 -0.0069 333 MET B CG 5441 S SD . MET B 338 ? 0.6933 0.9203 0.8706 -0.0287 -0.0087 -0.0072 333 MET B SD 5442 C CE . MET B 338 ? 0.4951 0.7374 0.6908 -0.0281 -0.0051 -0.0133 333 MET B CE 5443 N N . GLU B 339 ? 0.5209 0.7674 0.6936 -0.0577 -0.0129 -0.0201 334 GLU B N 5444 C CA . GLU B 339 ? 0.5010 0.7503 0.6767 -0.0669 -0.0097 -0.0254 334 GLU B CA 5445 C C . GLU B 339 ? 0.5704 0.8318 0.7528 -0.0706 -0.0186 -0.0285 334 GLU B C 5446 O O . GLU B 339 ? 0.5797 0.8487 0.7715 -0.0783 -0.0178 -0.0332 334 GLU B O 5447 C CB . GLU B 339 ? 0.5154 0.7465 0.6728 -0.0712 -0.0042 -0.0256 334 GLU B CB 5448 C CG . GLU B 339 ? 0.5817 0.8016 0.7335 -0.0698 0.0052 -0.0236 334 GLU B CG 5449 C CD . GLU B 339 ? 0.5215 0.7346 0.6667 -0.0612 0.0043 -0.0183 334 GLU B CD 5450 O OE1 . GLU B 339 ? 0.5372 0.7413 0.6774 -0.0595 0.0105 -0.0168 334 GLU B OE1 5451 O OE2 . GLU B 339 ? 0.4843 0.7008 0.6291 -0.0565 -0.0029 -0.0154 334 GLU B OE2 5452 N N . ILE B 340 ? 0.6067 0.8698 0.7841 -0.0655 -0.0273 -0.0256 335 ILE B N 5453 C CA . ILE B 340 ? 0.6287 0.9011 0.8081 -0.0684 -0.0369 -0.0283 335 ILE B CA 5454 C C . ILE B 340 ? 0.6023 0.8945 0.8017 -0.0646 -0.0442 -0.0281 335 ILE B C 5455 O O . ILE B 340 ? 0.7204 1.0147 0.9224 -0.0561 -0.0472 -0.0233 335 ILE B O 5456 C CB . ILE B 340 ? 0.6562 0.9182 0.8154 -0.0652 -0.0421 -0.0252 335 ILE B CB 5457 C CG1 . ILE B 340 ? 0.6116 0.8553 0.7522 -0.0691 -0.0352 -0.0264 335 ILE B CG1 5458 C CG2 . ILE B 340 ? 0.6535 0.9253 0.8133 -0.0672 -0.0532 -0.0279 335 ILE B CG2 5459 C CD1 . ILE B 340 ? 0.7151 0.9468 0.8370 -0.0632 -0.0354 -0.0211 335 ILE B CD1 5460 N N . ARG B 341 ? 0.6671 0.9736 0.8814 -0.0710 -0.0473 -0.0333 336 ARG B N 5461 C CA . ARG B 341 ? 0.6212 0.9490 0.8578 -0.0680 -0.0539 -0.0338 336 ARG B CA 5462 C C . ARG B 341 ? 0.6331 0.9710 0.8715 -0.0719 -0.0659 -0.0368 336 ARG B C 5463 O O . ARG B 341 ? 0.6460 0.9753 0.8715 -0.0792 -0.0672 -0.0403 336 ARG B O 5464 C CB . ARG B 341 ? 0.6121 0.9518 0.8695 -0.0720 -0.0459 -0.0372 336 ARG B CB 5465 C CG . ARG B 341 ? 0.5389 0.8682 0.7929 -0.0688 -0.0338 -0.0351 336 ARG B CG 5466 C CD . ARG B 341 ? 0.6126 0.9457 0.8733 -0.0573 -0.0349 -0.0312 336 ARG B CD 5467 N NE . ARG B 341 ? 0.5436 0.8590 0.7850 -0.0513 -0.0357 -0.0260 336 ARG B NE 5468 C CZ . ARG B 341 ? 0.6327 0.9466 0.8757 -0.0417 -0.0379 -0.0218 336 ARG B CZ 5469 N NH1 . ARG B 341 ? 0.7260 1.0240 0.9522 -0.0377 -0.0384 -0.0169 336 ARG B NH1 5470 N NH2 . ARG B 341 ? 0.4476 0.7760 0.7100 -0.0361 -0.0395 -0.0225 336 ARG B NH2 5471 N N . PRO B 342 ? 0.6398 0.9953 0.8936 -0.0668 -0.0754 -0.0357 337 PRO B N 5472 C CA . PRO B 342 ? 0.6679 1.0345 0.9246 -0.0710 -0.0878 -0.0391 337 PRO B CA 5473 C C . PRO B 342 ? 0.6972 1.0745 0.9692 -0.0828 -0.0864 -0.0462 337 PRO B C 5474 O O . PRO B 342 ? 0.6655 1.0545 0.9583 -0.0844 -0.0795 -0.0474 337 PRO B O 5475 C CB . PRO B 342 ? 0.5973 0.9812 0.8701 -0.0618 -0.0970 -0.0356 337 PRO B CB 5476 C CG . PRO B 342 ? 0.6245 1.0113 0.9114 -0.0558 -0.0875 -0.0332 337 PRO B CG 5477 C CD . PRO B 342 ? 0.5914 0.9561 0.8593 -0.0566 -0.0760 -0.0314 337 PRO B CD 5478 N N . ARG B 343 ? 0.6485 1.0213 0.9098 -0.0910 -0.0928 -0.0508 338 ARG B N 5479 C CA . ARG B 343 ? 0.6649 1.0442 0.9385 -0.1037 -0.0915 -0.0575 338 ARG B CA 5480 C C . ARG B 343 ? 0.6868 1.0943 0.9904 -0.1060 -0.0998 -0.0600 338 ARG B C 5481 O O . ARG B 343 ? 0.6870 1.1064 1.0116 -0.1137 -0.0942 -0.0631 338 ARG B O 5482 C CB . ARG B 343 ? 0.6546 1.0186 0.9066 -0.1115 -0.0967 -0.0624 338 ARG B CB 5483 C CG . ARG B 343 ? 0.7137 1.0825 0.9778 -0.1258 -0.0965 -0.0695 338 ARG B CG 5484 C CD . ARG B 343 ? 0.6692 1.0127 0.9095 -0.1331 -0.0917 -0.0732 338 ARG B CD 5485 N NE . ARG B 343 ? 0.8909 1.2258 1.1116 -0.1348 -0.1035 -0.0775 338 ARG B NE 5486 C CZ . ARG B 343 ? 0.8976 1.2233 1.1114 -0.1458 -0.1069 -0.0848 338 ARG B CZ 5487 N NH1 . ARG B 343 ? 0.9929 1.3103 1.1869 -0.1460 -0.1180 -0.0891 338 ARG B NH1 5488 N NH2 . ARG B 343 ? 0.7844 1.1083 1.0104 -0.1567 -0.0992 -0.0878 338 ARG B NH2 5489 N N . LYS B 344 ? 0.8449 1.2635 1.1508 -0.0992 -0.1130 -0.0583 339 LYS B N 5490 C CA . LYS B 344 ? 0.8369 1.2832 1.1711 -0.1006 -0.1230 -0.0605 339 LYS B CA 5491 C C . LYS B 344 ? 0.7778 1.2391 1.1280 -0.0875 -0.1251 -0.0549 339 LYS B C 5492 O O . LYS B 344 ? 0.8198 1.3016 1.1986 -0.0869 -0.1220 -0.0555 339 LYS B O 5493 C CB . LYS B 344 ? 0.8884 1.3373 1.2138 -0.1048 -0.1394 -0.0643 339 LYS B CB 5494 C CG . LYS B 344 ? 0.8975 1.3498 1.2301 -0.1202 -0.1419 -0.0724 339 LYS B CG 5495 C CD . LYS B 344 ? 1.0044 1.4857 1.3755 -0.1252 -0.1422 -0.0744 339 LYS B CD 5496 C CE . LYS B 344 ? 1.0702 1.5631 1.4520 -0.1379 -0.1546 -0.0817 339 LYS B CE 5497 N NZ . LYS B 344 ? 0.9123 1.4393 1.3318 -0.1382 -0.1617 -0.0821 339 LYS B NZ 5498 N N . GLU B 345 ? 0.6736 1.1241 1.0054 -0.0769 -0.1300 -0.0493 340 GLU B N 5499 C CA . GLU B 345 ? 0.6782 1.1385 1.0217 -0.0638 -0.1325 -0.0434 340 GLU B CA 5500 C C . GLU B 345 ? 0.7085 1.1681 1.0639 -0.0598 -0.1177 -0.0417 340 GLU B C 5501 O O . GLU B 345 ? 0.7181 1.1589 1.0580 -0.0621 -0.1060 -0.0413 340 GLU B O 5502 C CB . GLU B 345 ? 0.6533 1.0971 0.9708 -0.0547 -0.1384 -0.0369 340 GLU B CB 5503 C CG . GLU B 345 ? 0.7258 1.1752 1.0524 -0.0410 -0.1412 -0.0300 340 GLU B CG 5504 C CD . GLU B 345 ? 0.7665 1.2361 1.1073 -0.0361 -0.1572 -0.0290 340 GLU B CD 5505 O OE1 . GLU B 345 ? 0.8609 1.3329 1.1924 -0.0412 -0.1685 -0.0314 340 GLU B OE1 5506 O OE2 . GLU B 345 ? 0.7086 1.1912 1.0695 -0.0267 -0.1590 -0.0259 340 GLU B OE2 5507 N N . PRO B 346 ? 0.7565 1.2368 1.1390 -0.0533 -0.1183 -0.0410 341 PRO B N 5508 C CA . PRO B 346 ? 0.7581 1.2382 1.1513 -0.0483 -0.1045 -0.0399 341 PRO B CA 5509 C C . PRO B 346 ? 0.6897 1.1491 1.0636 -0.0377 -0.1010 -0.0339 341 PRO B C 5510 O O . PRO B 346 ? 0.6709 1.1279 1.0381 -0.0294 -0.1111 -0.0292 341 PRO B O 5511 C CB . PRO B 346 ? 0.7204 1.2291 1.1469 -0.0425 -0.1088 -0.0407 341 PRO B CB 5512 C CG . PRO B 346 ? 0.5557 1.0741 0.9833 -0.0394 -0.1266 -0.0391 341 PRO B CG 5513 C CD . PRO B 346 ? 0.6833 1.1889 1.0884 -0.0501 -0.1319 -0.0415 341 PRO B CD 5514 N N . GLU B 347 ? 0.8024 1.2472 1.1678 -0.0385 -0.0873 -0.0339 342 GLU B N 5515 C CA . GLU B 347 ? 0.7538 1.1774 1.1003 -0.0304 -0.0833 -0.0287 342 GLU B CA 5516 C C . GLU B 347 ? 0.7338 1.1625 1.0901 -0.0170 -0.0888 -0.0243 342 GLU B C 5517 O O . GLU B 347 ? 0.8216 1.2344 1.1619 -0.0104 -0.0916 -0.0187 342 GLU B O 5518 C CB . GLU B 347 ? 0.6888 1.1005 1.0303 -0.0329 -0.0679 -0.0303 342 GLU B CB 5519 C CG . GLU B 347 ? 0.6707 1.0714 0.9982 -0.0450 -0.0615 -0.0334 342 GLU B CG 5520 C CD . GLU B 347 ? 0.6976 1.0847 1.0175 -0.0459 -0.0472 -0.0337 342 GLU B CD 5521 O OE1 . GLU B 347 ? 0.7743 1.1589 1.0924 -0.0556 -0.0395 -0.0370 342 GLU B OE1 5522 O OE2 . GLU B 347 ? 0.6841 1.0623 0.9995 -0.0371 -0.0440 -0.0305 342 GLU B OE2 5523 N N . SER B 348 ? 0.7814 1.2324 1.1648 -0.0130 -0.0903 -0.0266 343 SER B N 5524 C CA . SER B 348 ? 0.7689 1.2253 1.1643 0.0006 -0.0945 -0.0233 343 SER B CA 5525 C C . SER B 348 ? 0.7265 1.1800 1.1136 0.0071 -0.1093 -0.0173 343 SER B C 5526 O O . SER B 348 ? 0.7077 1.1573 1.0971 0.0185 -0.1130 -0.0127 343 SER B O 5527 C CB . SER B 348 ? 0.8061 1.2900 1.2340 0.0033 -0.0934 -0.0274 343 SER B CB 5528 O OG . SER B 348 ? 0.9461 1.4497 1.3867 -0.0042 -0.1021 -0.0301 343 SER B OG 5529 N N . ASN B 349 ? 0.7651 1.2195 1.1416 -0.0002 -0.1179 -0.0172 344 ASN B N 5530 C CA . ASN B 349 ? 0.8075 1.2597 1.1741 0.0054 -0.1321 -0.0114 344 ASN B CA 5531 C C . ASN B 349 ? 0.8345 1.2606 1.1707 0.0063 -0.1312 -0.0053 344 ASN B C 5532 O O . ASN B 349 ? 0.8239 1.2449 1.1495 0.0122 -0.1411 0.0012 344 ASN B O 5533 C CB . ASN B 349 ? 0.7460 1.2131 1.1155 -0.0021 -0.1432 -0.0146 344 ASN B CB 5534 C CG . ASN B 349 ? 0.8272 1.3234 1.2294 -0.0009 -0.1483 -0.0186 344 ASN B CG 5535 O OD1 . ASN B 349 ? 0.8654 1.3715 1.2862 0.0096 -0.1489 -0.0166 344 ASN B OD1 5536 N ND2 . ASN B 349 ? 0.8332 1.3433 1.2431 -0.0117 -0.1522 -0.0244 344 ASN B ND2 5537 N N . LEU B 350 ? 0.8258 1.2358 1.1484 0.0006 -0.1191 -0.0069 345 LEU B N 5538 C CA . LEU B 350 ? 0.7921 1.1792 1.0870 0.0000 -0.1174 -0.0016 345 LEU B CA 5539 C C . LEU B 350 ? 0.7541 1.1260 1.0450 0.0080 -0.1118 0.0037 345 LEU B C 5540 O O . LEU B 350 ? 0.6942 1.0695 1.0002 0.0121 -0.1056 0.0013 345 LEU B O 5541 C CB . LEU B 350 ? 0.6946 1.0722 0.9752 -0.0111 -0.1088 -0.0062 345 LEU B CB 5542 C CG . LEU B 350 ? 0.7680 1.1542 1.0457 -0.0201 -0.1150 -0.0111 345 LEU B CG 5543 C CD1 . LEU B 350 ? 0.7519 1.1569 1.0533 -0.0264 -0.1124 -0.0187 345 LEU B CD1 5544 C CD2 . LEU B 350 ? 0.6731 1.0412 0.9254 -0.0274 -0.1099 -0.0119 345 LEU B CD2 5545 N N . VAL B 351 ? 0.6756 1.0308 0.9458 0.0101 -0.1140 0.0108 346 VAL B N 5546 C CA . VAL B 351 ? 0.6153 0.9537 0.8793 0.0159 -0.1092 0.0162 346 VAL B CA 5547 C C . VAL B 351 ? 0.6230 0.9498 0.8796 0.0099 -0.0963 0.0125 346 VAL B C 5548 O O . VAL B 351 ? 0.6261 0.9470 0.8682 0.0021 -0.0926 0.0110 346 VAL B O 5549 C CB . VAL B 351 ? 0.6259 0.9511 0.8707 0.0188 -0.1152 0.0258 346 VAL B CB 5550 C CG1 . VAL B 351 ? 0.5735 0.8811 0.8133 0.0234 -0.1102 0.0313 346 VAL B CG1 5551 C CG2 . VAL B 351 ? 0.6257 0.9612 0.8759 0.0253 -0.1284 0.0303 346 VAL B CG2 5552 N N . ARG B 352 ? 0.7544 1.0773 1.0202 0.0140 -0.0898 0.0110 347 ARG B N 5553 C CA . ARG B 352 ? 0.7456 1.0575 1.0044 0.0091 -0.0781 0.0076 347 ARG B CA 5554 C C . ARG B 352 ? 0.8128 1.1062 1.0625 0.0137 -0.0756 0.0128 347 ARG B C 5555 O O . ARG B 352 ? 0.7937 1.0838 1.0476 0.0216 -0.0815 0.0178 347 ARG B O 5556 C CB . ARG B 352 ? 0.6755 0.9988 0.9515 0.0084 -0.0709 -0.0001 347 ARG B CB 5557 C CG . ARG B 352 ? 0.8548 1.1824 1.1470 0.0184 -0.0716 -0.0006 347 ARG B CG 5558 C CD . ARG B 352 ? 0.9398 1.2781 1.2464 0.0173 -0.0622 -0.0082 347 ARG B CD 5559 N NE . ARG B 352 ? 1.0966 1.4533 1.4133 0.0099 -0.0623 -0.0126 347 ARG B NE 5560 C CZ . ARG B 352 ? 1.1271 1.4958 1.4568 0.0063 -0.0539 -0.0188 347 ARG B CZ 5561 N NH1 . ARG B 352 ? 0.9502 1.3146 1.2829 0.0102 -0.0445 -0.0215 347 ARG B NH1 5562 N NH2 . ARG B 352 ? 1.1463 1.5313 1.4858 -0.0014 -0.0551 -0.0222 347 ARG B NH2 5563 N N . SER B 353 ? 0.7243 1.0052 0.9617 0.0086 -0.0672 0.0119 348 SER B N 5564 C CA . SER B 353 ? 0.6901 0.9540 0.9201 0.0117 -0.0644 0.0158 348 SER B CA 5565 C C . SER B 353 ? 0.6708 0.9346 0.9135 0.0176 -0.0611 0.0116 348 SER B C 5566 O O . SER B 353 ? 0.6841 0.9534 0.9325 0.0153 -0.0537 0.0048 348 SER B O 5567 C CB . SER B 353 ? 0.6804 0.9327 0.8949 0.0048 -0.0568 0.0155 348 SER B CB 5568 O OG . SER B 353 ? 0.6811 0.9183 0.8902 0.0073 -0.0545 0.0188 348 SER B OG 5569 N N . MET B 354 ? 0.6574 0.9145 0.9040 0.0254 -0.0664 0.0159 349 MET B N 5570 C CA . MET B 354 ? 0.7549 1.0097 1.0122 0.0323 -0.0639 0.0118 349 MET B CA 5571 C C . MET B 354 ? 0.8004 1.0361 1.0469 0.0318 -0.0593 0.0124 349 MET B C 5572 O O . MET B 354 ? 0.7464 0.9735 0.9972 0.0385 -0.0602 0.0115 349 MET B O 5573 C CB . MET B 354 ? 0.7290 0.9864 0.9977 0.0420 -0.0729 0.0153 349 MET B CB 5574 C CG . MET B 354 ? 0.6535 0.9323 0.9373 0.0443 -0.0773 0.0129 349 MET B CG 5575 S SD . MET B 354 ? 0.9857 1.2810 1.2860 0.0446 -0.0680 0.0019 349 MET B SD 5576 C CE . MET B 354 ? 1.0775 1.3988 1.3962 0.0462 -0.0758 0.0013 349 MET B CE 5577 N N . VAL B 355 ? 0.8212 1.0501 1.0539 0.0241 -0.0548 0.0136 350 VAL B N 5578 C CA . VAL B 355 ? 0.7189 0.9304 0.9412 0.0228 -0.0517 0.0150 350 VAL B CA 5579 C C . VAL B 355 ? 0.7391 0.9491 0.9534 0.0164 -0.0424 0.0099 350 VAL B C 5580 O O . VAL B 355 ? 0.8270 1.0468 1.0402 0.0110 -0.0389 0.0074 350 VAL B O 5581 C CB . VAL B 355 ? 0.7258 0.9272 0.9381 0.0208 -0.0569 0.0246 350 VAL B CB 5582 C CG1 . VAL B 355 ? 0.7287 0.9287 0.9281 0.0127 -0.0521 0.0259 350 VAL B CG1 5583 C CG2 . VAL B 355 ? 0.7822 0.9672 0.9933 0.0243 -0.0594 0.0278 350 VAL B CG2 5584 N N . THR B 356 ? 0.7905 0.9875 0.9990 0.0171 -0.0390 0.0082 351 THR B N 5585 C CA . THR B 356 ? 0.7401 0.9335 0.9396 0.0118 -0.0307 0.0041 351 THR B CA 5586 C C . THR B 356 ? 0.7803 0.9570 0.9689 0.0105 -0.0312 0.0074 351 THR B C 5587 O O . THR B 356 ? 0.8753 1.0421 1.0655 0.0150 -0.0355 0.0087 351 THR B O 5588 C CB . THR B 356 ? 0.7024 0.9005 0.9076 0.0145 -0.0241 -0.0042 351 THR B CB 5589 O OG1 . THR B 356 ? 0.9856 1.2008 1.2047 0.0166 -0.0246 -0.0070 351 THR B OG1 5590 C CG2 . THR B 356 ? 0.7755 0.9716 0.9707 0.0082 -0.0153 -0.0076 351 THR B CG2 5591 N N . ALA B 357 ? 0.6864 0.8599 0.8643 0.0043 -0.0271 0.0088 352 ALA B N 5592 C CA . ALA B 357 ? 0.6704 0.8301 0.8390 0.0027 -0.0273 0.0118 352 ALA B CA 5593 C C . ALA B 357 ? 0.7293 0.8810 0.8950 0.0049 -0.0237 0.0056 352 ALA B C 5594 O O . ALA B 357 ? 0.9105 1.0545 1.0665 0.0019 -0.0205 0.0050 352 ALA B O 5595 C CB . ALA B 357 ? 0.7462 0.9055 0.9048 -0.0036 -0.0238 0.0147 352 ALA B CB 5596 C C1 . NAG C . ? 1.4353 1.6433 1.5462 -0.0250 -0.0032 -0.0534 601 NAG A C1 5597 C C2 . NAG C . ? 1.4966 1.6942 1.6188 -0.0279 -0.0020 -0.0552 601 NAG A C2 5598 C C3 . NAG C . ? 1.5734 1.7722 1.7110 -0.0320 -0.0072 -0.0597 601 NAG A C3 5599 C C4 . NAG C . ? 1.5644 1.7712 1.7098 -0.0342 -0.0065 -0.0545 601 NAG A C4 5600 C C5 . NAG C . ? 1.5837 1.7999 1.7166 -0.0306 -0.0084 -0.0533 601 NAG A C5 5601 C C6 . NAG C . ? 1.6021 1.8259 1.7425 -0.0319 -0.0079 -0.0480 601 NAG A C6 5602 C C7 . NAG C . ? 1.5868 1.7674 1.7080 -0.0262 -0.0010 -0.0610 601 NAG A C7 5603 C C8 . NAG C . ? 1.5888 1.7645 1.7029 -0.0222 -0.0029 -0.0676 601 NAG A C8 5604 N N2 . NAG C . ? 1.5714 1.7629 1.6869 -0.0251 -0.0031 -0.0609 601 NAG A N2 5605 O O3 . NAG C . ? 1.6162 1.8048 1.7653 -0.0355 -0.0054 -0.0596 601 NAG A O3 5606 O O4 . NAG C . ? 1.5855 1.7950 1.7460 -0.0380 -0.0122 -0.0590 601 NAG A O4 5607 O O5 . NAG C . ? 1.5769 1.7907 1.6960 -0.0274 -0.0029 -0.0487 601 NAG A O5 5608 O O6 . NAG C . ? 1.4359 1.6654 1.5636 -0.0284 -0.0073 -0.0440 601 NAG A O6 5609 O O7 . NAG C . ? 1.5707 1.7457 1.7023 -0.0302 0.0022 -0.0559 601 NAG A O7 5610 C C1 . NAG D . ? 1.5584 1.6005 1.4686 -0.0335 0.0294 -0.0341 601 NAG B C1 5611 C C2 . NAG D . ? 1.5170 1.5660 1.4338 -0.0427 0.0212 -0.0392 601 NAG B C2 5612 C C3 . NAG D . ? 1.5298 1.5718 1.4298 -0.0438 0.0166 -0.0480 601 NAG B C3 5613 C C4 . NAG D . ? 1.6969 1.7168 1.5819 -0.0428 0.0210 -0.0547 601 NAG B C4 5614 C C5 . NAG D . ? 1.7389 1.7535 1.6189 -0.0326 0.0299 -0.0488 601 NAG B C5 5615 C C6 . NAG D . ? 1.7396 1.7314 1.6060 -0.0306 0.0346 -0.0547 601 NAG B C6 5616 C C7 . NAG D . ? 1.5472 1.6252 1.4904 -0.0498 0.0113 -0.0345 601 NAG B C7 5617 C C8 . NAG D . ? 1.4037 1.4997 1.3588 -0.0476 0.0075 -0.0276 601 NAG B C8 5618 N N2 . NAG D . ? 1.5011 1.5692 1.4310 -0.0426 0.0172 -0.0330 601 NAG B N2 5619 O O3 . NAG D . ? 1.7014 1.7497 1.6092 -0.0531 0.0085 -0.0531 601 NAG B O3 5620 O O4 . NAG D . ? 1.8256 1.8382 1.6927 -0.0425 0.0167 -0.0631 601 NAG B O4 5621 O O5 . NAG D . ? 1.6310 1.6532 1.5280 -0.0328 0.0331 -0.0405 601 NAG B O5 5622 O O6 . NAG D . ? 1.8427 1.8315 1.7004 -0.0191 0.0418 -0.0507 601 NAG B O6 5623 O O7 . NAG D . ? 1.5566 1.6291 1.5026 -0.0577 0.0092 -0.0411 601 NAG B O7 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 HIS 1 -4 ? ? ? A . n A 1 2 HIS 2 -3 ? ? ? A . n A 1 3 HIS 3 -2 ? ? ? A . n A 1 4 HIS 4 -1 ? ? ? A . n A 1 5 HIS 5 0 ? ? ? A . n A 1 6 HIS 6 1 1 HIS HIS A . n A 1 7 VAL 7 2 2 VAL VAL A . n A 1 8 GLY 8 3 3 GLY GLY A . n A 1 9 CYS 9 4 4 CYS CYS A . n A 1 10 SER 10 5 5 SER SER A . n A 1 11 VAL 11 6 6 VAL VAL A . n A 1 12 ASP 12 7 7 ASP ASP A . n A 1 13 PHE 13 8 8 PHE PHE A . n A 1 14 SER 14 9 9 SER SER A . n A 1 15 LYS 15 10 10 LYS LYS A . n A 1 16 LYS 16 11 11 LYS LYS A . n A 1 17 GLU 17 12 12 GLU GLU A . n A 1 18 THR 18 13 13 THR THR A . n A 1 19 ARG 19 14 14 ARG ARG A . n A 1 20 CYS 20 15 15 CYS CYS A . n A 1 21 GLY 21 16 16 GLY GLY A . n A 1 22 THR 22 17 17 THR THR A . n A 1 23 GLY 23 18 18 GLY GLY A . n A 1 24 VAL 24 19 19 VAL VAL A . n A 1 25 PHE 25 20 20 PHE PHE A . n A 1 26 VAL 26 21 21 VAL VAL A . n A 1 27 TYR 27 22 22 TYR TYR A . n A 1 28 ASN 28 23 23 ASN ASN A . n A 1 29 ASP 29 24 24 ASP ASP A . n A 1 30 VAL 30 25 25 VAL VAL A . n A 1 31 GLU 31 26 26 GLU GLU A . n A 1 32 ALA 32 27 27 ALA ALA A . n A 1 33 TRP 33 28 28 TRP TRP A . n A 1 34 ARG 34 29 29 ARG ARG A . n A 1 35 ASP 35 30 30 ASP ASP A . n A 1 36 ARG 36 31 31 ARG ARG A . n A 1 37 TYR 37 32 32 TYR TYR A . n A 1 38 LYS 38 33 33 LYS LYS A . n A 1 39 TYR 39 34 34 TYR TYR A . n A 1 40 HIS 40 35 35 HIS HIS A . n A 1 41 PRO 41 36 36 PRO PRO A . n A 1 42 ASP 42 37 37 ASP ASP A . n A 1 43 SER 43 38 38 SER SER A . n A 1 44 PRO 44 39 39 PRO PRO A . n A 1 45 ARG 45 40 40 ARG ARG A . n A 1 46 ARG 46 41 41 ARG ARG A . n A 1 47 LEU 47 42 42 LEU LEU A . n A 1 48 ALA 48 43 43 ALA ALA A . n A 1 49 ALA 49 44 44 ALA ALA A . n A 1 50 ALA 50 45 45 ALA ALA A . n A 1 51 VAL 51 46 46 VAL VAL A . n A 1 52 LYS 52 47 47 LYS LYS A . n A 1 53 GLN 53 48 48 GLN GLN A . n A 1 54 ALA 54 49 49 ALA ALA A . n A 1 55 TRP 55 50 50 TRP TRP A . n A 1 56 GLU 56 51 51 GLU GLU A . n A 1 57 ASP 57 52 52 ASP ASP A . n A 1 58 GLY 58 53 53 GLY GLY A . n A 1 59 ILE 59 54 54 ILE ILE A . n A 1 60 CYS 60 55 55 CYS CYS A . n A 1 61 GLY 61 56 56 GLY GLY A . n A 1 62 ILE 62 57 57 ILE ILE A . n A 1 63 SER 63 58 58 SER SER A . n A 1 64 SER 64 59 59 SER SER A . n A 1 65 VAL 65 60 60 VAL VAL A . n A 1 66 SER 66 61 61 SER SER A . n A 1 67 ARG 67 62 62 ARG ARG A . n A 1 68 MET 68 63 63 MET MET A . n A 1 69 GLU 69 64 64 GLU GLU A . n A 1 70 ASN 70 65 65 ASN ASN A . n A 1 71 ILE 71 66 66 ILE ILE A . n A 1 72 MET 72 67 67 MET MET A . n A 1 73 TRP 73 68 68 TRP TRP A . n A 1 74 ARG 74 69 69 ARG ARG A . n A 1 75 SER 75 70 70 SER SER A . n A 1 76 VAL 76 71 71 VAL VAL A . n A 1 77 GLU 77 72 72 GLU GLU A . n A 1 78 GLY 78 73 73 GLY GLY A . n A 1 79 GLU 79 74 74 GLU GLU A . n A 1 80 LEU 80 75 75 LEU LEU A . n A 1 81 ASN 81 76 76 ASN ASN A . n A 1 82 ALA 82 77 77 ALA ALA A . n A 1 83 ILE 83 78 78 ILE ILE A . n A 1 84 LEU 84 79 79 LEU LEU A . n A 1 85 GLU 85 80 80 GLU GLU A . n A 1 86 GLU 86 81 81 GLU GLU A . n A 1 87 ASN 87 82 82 ASN ASN A . n A 1 88 GLY 88 83 83 GLY GLY A . n A 1 89 VAL 89 84 84 VAL VAL A . n A 1 90 GLN 90 85 85 GLN GLN A . n A 1 91 LEU 91 86 86 LEU LEU A . n A 1 92 THR 92 87 87 THR THR A . n A 1 93 VAL 93 88 88 VAL VAL A . n A 1 94 VAL 94 89 89 VAL VAL A . n A 1 95 VAL 95 90 90 VAL VAL A . n A 1 96 GLY 96 91 91 GLY GLY A . n A 1 97 SER 97 92 92 SER SER A . n A 1 98 VAL 98 93 93 VAL VAL A . n A 1 99 LYS 99 94 94 LYS LYS A . n A 1 100 ASN 100 95 95 ASN ASN A . n A 1 101 PRO 101 96 96 PRO PRO A . n A 1 102 MET 102 97 97 MET MET A . n A 1 103 TRP 103 98 98 TRP TRP A . n A 1 104 ARG 104 99 99 ARG ARG A . n A 1 105 GLY 105 100 100 GLY GLY A . n A 1 106 PRO 106 101 101 PRO PRO A . n A 1 107 GLN 107 102 102 GLN GLN A . n A 1 108 ARG 108 103 103 ARG ARG A . n A 1 109 LEU 109 104 104 LEU LEU A . n A 1 110 PRO 110 105 105 PRO PRO A . n A 1 111 VAL 111 106 106 VAL VAL A . n A 1 112 PRO 112 107 107 PRO PRO A . n A 1 113 VAL 113 108 108 VAL VAL A . n A 1 114 ASN 114 109 109 ASN ASN A . n A 1 115 GLU 115 110 110 GLU GLU A . n A 1 116 LEU 116 111 111 LEU LEU A . n A 1 117 PRO 117 112 112 PRO PRO A . n A 1 118 HIS 118 113 113 HIS HIS A . n A 1 119 GLY 119 114 114 GLY GLY A . n A 1 120 TRP 120 115 115 TRP TRP A . n A 1 121 LYS 121 116 116 LYS LYS A . n A 1 122 ALA 122 117 117 ALA ALA A . n A 1 123 TRP 123 118 118 TRP TRP A . n A 1 124 GLY 124 119 119 GLY GLY A . n A 1 125 LYS 125 120 120 LYS LYS A . n A 1 126 SER 126 121 121 SER SER A . n A 1 127 TYR 127 122 122 TYR TYR A . n A 1 128 PHE 128 123 123 PHE PHE A . n A 1 129 VAL 129 124 124 VAL VAL A . n A 1 130 ARG 130 125 125 ARG ARG A . n A 1 131 ALA 131 126 126 ALA ALA A . n A 1 132 ALA 132 127 127 ALA ALA A . n A 1 133 LYS 133 128 128 LYS LYS A . n A 1 134 THR 134 129 129 THR THR A . n A 1 135 ASN 135 130 130 ASN ASN A . n A 1 136 ASN 136 131 131 ASN ASN A . n A 1 137 SER 137 132 132 SER SER A . n A 1 138 PHE 138 133 133 PHE PHE A . n A 1 139 VAL 139 134 134 VAL VAL A . n A 1 140 VAL 140 135 135 VAL VAL A . n A 1 141 ASP 141 136 136 ASP ASP A . n A 1 142 GLY 142 137 137 GLY GLY A . n A 1 143 ASP 143 138 138 ASP ASP A . n A 1 144 THR 144 139 139 THR THR A . n A 1 145 LEU 145 140 140 LEU LEU A . n A 1 146 LYS 146 141 141 LYS LYS A . n A 1 147 GLU 147 142 142 GLU GLU A . n A 1 148 CYS 148 143 143 CYS CYS A . n A 1 149 PRO 149 144 144 PRO PRO A . n A 1 150 LEU 150 145 145 LEU LEU A . n A 1 151 LYS 151 146 146 LYS LYS A . n A 1 152 HIS 152 147 147 HIS HIS A . n A 1 153 ARG 153 148 148 ARG ARG A . n A 1 154 ALA 154 149 149 ALA ALA A . n A 1 155 TRP 155 150 150 TRP TRP A . n A 1 156 ASN 156 151 151 ASN ASN A . n A 1 157 SER 157 152 152 SER SER A . n A 1 158 PHE 158 153 153 PHE PHE A . n A 1 159 LEU 159 154 154 LEU LEU A . n A 1 160 VAL 160 155 155 VAL VAL A . n A 1 161 GLU 161 156 156 GLU GLU A . n A 1 162 ASP 162 157 157 ASP ASP A . n A 1 163 HIS 163 158 158 HIS HIS A . n A 1 164 GLY 164 159 159 GLY GLY A . n A 1 165 PHE 165 160 160 PHE PHE A . n A 1 166 GLY 166 161 161 GLY GLY A . n A 1 167 VAL 167 162 162 VAL VAL A . n A 1 168 PHE 168 163 163 PHE PHE A . n A 1 169 HIS 169 164 164 HIS HIS A . n A 1 170 THR 170 165 165 THR THR A . n A 1 171 SER 171 166 166 SER SER A . n A 1 172 VAL 172 167 167 VAL VAL A . n A 1 173 TRP 173 168 168 TRP TRP A . n A 1 174 LEU 174 169 169 LEU LEU A . n A 1 175 LYS 175 170 170 LYS LYS A . n A 1 176 VAL 176 171 171 VAL VAL A . n A 1 177 ARG 177 172 172 ARG ARG A . n A 1 178 GLU 178 173 173 GLU GLU A . n A 1 179 ASP 179 174 174 ASP ASP A . n A 1 180 TYR 180 175 175 TYR TYR A . n A 1 181 SER 181 176 176 SER SER A . n A 1 182 LEU 182 177 177 LEU LEU A . n A 1 183 GLU 183 178 178 GLU GLU A . n A 1 184 CYS 184 179 179 CYS CYS A . n A 1 185 ASP 185 180 180 ASP ASP A . n A 1 186 PRO 186 181 181 PRO PRO A . n A 1 187 ALA 187 182 182 ALA ALA A . n A 1 188 VAL 188 183 183 VAL VAL A . n A 1 189 ILE 189 184 184 ILE ILE A . n A 1 190 GLY 190 185 185 GLY GLY A . n A 1 191 THR 191 186 186 THR THR A . n A 1 192 ALA 192 187 187 ALA ALA A . n A 1 193 VAL 193 188 188 VAL VAL A . n A 1 194 LYS 194 189 189 LYS LYS A . n A 1 195 GLY 195 190 190 GLY GLY A . n A 1 196 LYS 196 191 191 LYS LYS A . n A 1 197 GLU 197 192 192 GLU GLU A . n A 1 198 ALA 198 193 193 ALA ALA A . n A 1 199 VAL 199 194 194 VAL VAL A . n A 1 200 HIS 200 195 195 HIS HIS A . n A 1 201 SER 201 196 196 SER SER A . n A 1 202 ASP 202 197 197 ASP ASP A . n A 1 203 LEU 203 198 198 LEU LEU A . n A 1 204 GLY 204 199 199 GLY GLY A . n A 1 205 TYR 205 200 200 TYR TYR A . n A 1 206 TRP 206 201 201 TRP TRP A . n A 1 207 ILE 207 202 202 ILE ILE A . n A 1 208 GLU 208 203 203 GLU GLU A . n A 1 209 SER 209 204 204 SER SER A . n A 1 210 GLU 210 205 205 GLU GLU A . n A 1 211 LYS 211 206 206 LYS LYS A . n A 1 212 ASN 212 207 207 ASN ASN A . n A 1 213 ASP 213 208 208 ASP ASP A . n A 1 214 THR 214 209 209 THR THR A . n A 1 215 TRP 215 210 210 TRP TRP A . n A 1 216 ARG 216 211 211 ARG ARG A . n A 1 217 LEU 217 212 212 LEU LEU A . n A 1 218 LYS 218 213 213 LYS LYS A . n A 1 219 ARG 219 214 214 ARG ARG A . n A 1 220 ALA 220 215 215 ALA ALA A . n A 1 221 HIS 221 216 216 HIS HIS A . n A 1 222 LEU 222 217 217 LEU LEU A . n A 1 223 ILE 223 218 218 ILE ILE A . n A 1 224 GLU 224 219 219 GLU GLU A . n A 1 225 MET 225 220 220 MET MET A . n A 1 226 LYS 226 221 221 LYS LYS A . n A 1 227 THR 227 222 222 THR THR A . n A 1 228 CYS 228 223 223 CYS CYS A . n A 1 229 GLU 229 224 224 GLU GLU A . n A 1 230 TRP 230 225 225 TRP TRP A . n A 1 231 PRO 231 226 226 PRO PRO A . n A 1 232 LYS 232 227 227 LYS LYS A . n A 1 233 SER 233 228 228 SER SER A . n A 1 234 HIS 234 229 229 HIS HIS A . n A 1 235 THR 235 230 230 THR THR A . n A 1 236 LEU 236 231 231 LEU LEU A . n A 1 237 TRP 237 232 232 TRP TRP A . n A 1 238 THR 238 233 233 THR THR A . n A 1 239 ASP 239 234 234 ASP ASP A . n A 1 240 GLY 240 235 235 GLY GLY A . n A 1 241 ILE 241 236 236 ILE ILE A . n A 1 242 GLU 242 237 237 GLU GLU A . n A 1 243 GLU 243 238 238 GLU GLU A . n A 1 244 SER 244 239 239 SER SER A . n A 1 245 ASP 245 240 240 ASP ASP A . n A 1 246 LEU 246 241 241 LEU LEU A . n A 1 247 ILE 247 242 242 ILE ILE A . n A 1 248 ILE 248 243 243 ILE ILE A . n A 1 249 PRO 249 244 244 PRO PRO A . n A 1 250 LYS 250 245 245 LYS LYS A . n A 1 251 SER 251 246 246 SER SER A . n A 1 252 LEU 252 247 247 LEU LEU A . n A 1 253 ALA 253 248 248 ALA ALA A . n A 1 254 GLY 254 249 249 GLY GLY A . n A 1 255 PRO 255 250 250 PRO PRO A . n A 1 256 LEU 256 251 251 LEU LEU A . n A 1 257 SER 257 252 252 SER SER A . n A 1 258 HIS 258 253 253 HIS HIS A . n A 1 259 HIS 259 254 254 HIS HIS A . n A 1 260 ASN 260 255 255 ASN ASN A . n A 1 261 THR 261 256 256 THR THR A . n A 1 262 ARG 262 257 257 ARG ARG A . n A 1 263 GLU 263 258 258 GLU GLU A . n A 1 264 GLY 264 259 259 GLY GLY A . n A 1 265 TYR 265 260 260 TYR TYR A . n A 1 266 ARG 266 261 261 ARG ARG A . n A 1 267 THR 267 262 262 THR THR A . n A 1 268 GLN 268 263 263 GLN GLN A . n A 1 269 MET 269 264 264 MET MET A . n A 1 270 LYS 270 265 265 LYS LYS A . n A 1 271 GLY 271 266 266 GLY GLY A . n A 1 272 PRO 272 267 267 PRO PRO A . n A 1 273 TRP 273 268 268 TRP TRP A . n A 1 274 HIS 274 269 269 HIS HIS A . n A 1 275 SER 275 270 270 SER SER A . n A 1 276 GLU 276 271 271 GLU GLU A . n A 1 277 GLU 277 272 272 GLU GLU A . n A 1 278 LEU 278 273 273 LEU LEU A . n A 1 279 GLU 279 274 274 GLU GLU A . n A 1 280 ILE 280 275 275 ILE ILE A . n A 1 281 ARG 281 276 276 ARG ARG A . n A 1 282 PHE 282 277 277 PHE PHE A . n A 1 283 GLU 283 278 278 GLU GLU A . n A 1 284 GLU 284 279 279 GLU GLU A . n A 1 285 CYS 285 280 280 CYS CYS A . n A 1 286 PRO 286 281 281 PRO PRO A . n A 1 287 GLY 287 282 282 GLY GLY A . n A 1 288 THR 288 283 283 THR THR A . n A 1 289 LYS 289 284 284 LYS LYS A . n A 1 290 VAL 290 285 285 VAL VAL A . n A 1 291 HIS 291 286 286 HIS HIS A . n A 1 292 VAL 292 287 287 VAL VAL A . n A 1 293 GLU 293 288 288 GLU GLU A . n A 1 294 GLU 294 289 289 GLU GLU A . n A 1 295 THR 295 290 290 THR THR A . n A 1 296 CYS 296 291 291 CYS CYS A . n A 1 297 GLY 297 292 292 GLY GLY A . n A 1 298 THR 298 293 293 THR THR A . n A 1 299 ARG 299 294 294 ARG ARG A . n A 1 300 GLY 300 295 295 GLY GLY A . n A 1 301 PRO 301 296 296 PRO PRO A . n A 1 302 SER 302 297 297 SER SER A . n A 1 303 LEU 303 298 298 LEU LEU A . n A 1 304 ARG 304 299 299 ARG ARG A . n A 1 305 SER 305 300 300 SER SER A . n A 1 306 THR 306 301 301 THR THR A . n A 1 307 THR 307 302 302 THR THR A . n A 1 308 ALA 308 303 303 ALA ALA A . n A 1 309 SER 309 304 304 SER SER A . n A 1 310 GLY 310 305 305 GLY GLY A . n A 1 311 ARG 311 306 306 ARG ARG A . n A 1 312 VAL 312 307 307 VAL VAL A . n A 1 313 ILE 313 308 308 ILE ILE A . n A 1 314 GLU 314 309 309 GLU GLU A . n A 1 315 GLU 315 310 310 GLU GLU A . n A 1 316 TRP 316 311 311 TRP TRP A . n A 1 317 CYS 317 312 312 CYS CYS A . n A 1 318 CYS 318 313 313 CYS CYS A . n A 1 319 ARG 319 314 314 ARG ARG A . n A 1 320 GLU 320 315 315 GLU GLU A . n A 1 321 CYS 321 316 316 CYS CYS A . n A 1 322 THR 322 317 317 THR THR A . n A 1 323 MET 323 318 318 MET MET A . n A 1 324 PRO 324 319 319 PRO PRO A . n A 1 325 PRO 325 320 320 PRO PRO A . n A 1 326 LEU 326 321 321 LEU LEU A . n A 1 327 SER 327 322 322 SER SER A . n A 1 328 PHE 328 323 323 PHE PHE A . n A 1 329 ARG 329 324 324 ARG ARG A . n A 1 330 ALA 330 325 325 ALA ALA A . n A 1 331 LYS 331 326 326 LYS LYS A . n A 1 332 ASP 332 327 327 ASP ASP A . n A 1 333 GLY 333 328 328 GLY GLY A . n A 1 334 CYS 334 329 329 CYS CYS A . n A 1 335 TRP 335 330 330 TRP TRP A . n A 1 336 TYR 336 331 331 TYR TYR A . n A 1 337 GLY 337 332 332 GLY GLY A . n A 1 338 MET 338 333 333 MET MET A . n A 1 339 GLU 339 334 334 GLU GLU A . n A 1 340 ILE 340 335 335 ILE ILE A . n A 1 341 ARG 341 336 336 ARG ARG A . n A 1 342 PRO 342 337 337 PRO PRO A . n A 1 343 ARG 343 338 338 ARG ARG A . n A 1 344 LYS 344 339 339 LYS LYS A . n A 1 345 GLU 345 340 340 GLU GLU A . n A 1 346 PRO 346 341 341 PRO PRO A . n A 1 347 GLU 347 342 342 GLU GLU A . n A 1 348 SER 348 343 343 SER SER A . n A 1 349 ASN 349 344 344 ASN ASN A . n A 1 350 LEU 350 345 345 LEU LEU A . n A 1 351 VAL 351 346 346 VAL VAL A . n A 1 352 ARG 352 347 347 ARG ARG A . n A 1 353 SER 353 348 348 SER SER A . n A 1 354 MET 354 349 349 MET MET A . n A 1 355 VAL 355 350 350 VAL VAL A . n A 1 356 THR 356 351 351 THR THR A . n A 1 357 ALA 357 352 352 ALA ALA A . n B 1 1 HIS 1 -4 -4 HIS HIS B . n B 1 2 HIS 2 -3 -3 HIS HIS B . n B 1 3 HIS 3 -2 -2 HIS HIS B . n B 1 4 HIS 4 -1 -1 HIS HIS B . n B 1 5 HIS 5 0 0 HIS HIS B . n B 1 6 HIS 6 1 1 HIS HIS B . n B 1 7 VAL 7 2 2 VAL VAL B . n B 1 8 GLY 8 3 3 GLY GLY B . n B 1 9 CYS 9 4 4 CYS CYS B . n B 1 10 SER 10 5 5 SER SER B . n B 1 11 VAL 11 6 6 VAL VAL B . n B 1 12 ASP 12 7 7 ASP ASP B . n B 1 13 PHE 13 8 8 PHE PHE B . n B 1 14 SER 14 9 9 SER SER B . n B 1 15 LYS 15 10 10 LYS LYS B . n B 1 16 LYS 16 11 11 LYS LYS B . n B 1 17 GLU 17 12 12 GLU GLU B . n B 1 18 THR 18 13 13 THR THR B . n B 1 19 ARG 19 14 14 ARG ARG B . n B 1 20 CYS 20 15 15 CYS CYS B . n B 1 21 GLY 21 16 16 GLY GLY B . n B 1 22 THR 22 17 17 THR THR B . n B 1 23 GLY 23 18 18 GLY GLY B . n B 1 24 VAL 24 19 19 VAL VAL B . n B 1 25 PHE 25 20 20 PHE PHE B . n B 1 26 VAL 26 21 21 VAL VAL B . n B 1 27 TYR 27 22 22 TYR TYR B . n B 1 28 ASN 28 23 23 ASN ASN B . n B 1 29 ASP 29 24 24 ASP ASP B . n B 1 30 VAL 30 25 25 VAL VAL B . n B 1 31 GLU 31 26 ? ? ? B . n B 1 32 ALA 32 27 ? ? ? B . n B 1 33 TRP 33 28 ? ? ? B . n B 1 34 ARG 34 29 ? ? ? B . n B 1 35 ASP 35 30 ? ? ? B . n B 1 36 ARG 36 31 ? ? ? B . n B 1 37 TYR 37 32 ? ? ? B . n B 1 38 LYS 38 33 ? ? ? B . n B 1 39 TYR 39 34 34 TYR TYR B . n B 1 40 HIS 40 35 35 HIS HIS B . n B 1 41 PRO 41 36 36 PRO PRO B . n B 1 42 ASP 42 37 37 ASP ASP B . n B 1 43 SER 43 38 38 SER SER B . n B 1 44 PRO 44 39 39 PRO PRO B . n B 1 45 ARG 45 40 40 ARG ARG B . n B 1 46 ARG 46 41 41 ARG ARG B . n B 1 47 LEU 47 42 42 LEU LEU B . n B 1 48 ALA 48 43 43 ALA ALA B . n B 1 49 ALA 49 44 44 ALA ALA B . n B 1 50 ALA 50 45 45 ALA ALA B . n B 1 51 VAL 51 46 46 VAL VAL B . n B 1 52 LYS 52 47 47 LYS LYS B . n B 1 53 GLN 53 48 48 GLN GLN B . n B 1 54 ALA 54 49 49 ALA ALA B . n B 1 55 TRP 55 50 50 TRP TRP B . n B 1 56 GLU 56 51 51 GLU GLU B . n B 1 57 ASP 57 52 52 ASP ASP B . n B 1 58 GLY 58 53 53 GLY GLY B . n B 1 59 ILE 59 54 54 ILE ILE B . n B 1 60 CYS 60 55 55 CYS CYS B . n B 1 61 GLY 61 56 56 GLY GLY B . n B 1 62 ILE 62 57 57 ILE ILE B . n B 1 63 SER 63 58 58 SER SER B . n B 1 64 SER 64 59 59 SER SER B . n B 1 65 VAL 65 60 60 VAL VAL B . n B 1 66 SER 66 61 61 SER SER B . n B 1 67 ARG 67 62 62 ARG ARG B . n B 1 68 MET 68 63 63 MET MET B . n B 1 69 GLU 69 64 64 GLU GLU B . n B 1 70 ASN 70 65 65 ASN ASN B . n B 1 71 ILE 71 66 66 ILE ILE B . n B 1 72 MET 72 67 67 MET MET B . n B 1 73 TRP 73 68 68 TRP TRP B . n B 1 74 ARG 74 69 69 ARG ARG B . n B 1 75 SER 75 70 70 SER SER B . n B 1 76 VAL 76 71 71 VAL VAL B . n B 1 77 GLU 77 72 72 GLU GLU B . n B 1 78 GLY 78 73 73 GLY GLY B . n B 1 79 GLU 79 74 74 GLU GLU B . n B 1 80 LEU 80 75 75 LEU LEU B . n B 1 81 ASN 81 76 76 ASN ASN B . n B 1 82 ALA 82 77 77 ALA ALA B . n B 1 83 ILE 83 78 78 ILE ILE B . n B 1 84 LEU 84 79 79 LEU LEU B . n B 1 85 GLU 85 80 80 GLU GLU B . n B 1 86 GLU 86 81 81 GLU GLU B . n B 1 87 ASN 87 82 82 ASN ASN B . n B 1 88 GLY 88 83 83 GLY GLY B . n B 1 89 VAL 89 84 84 VAL VAL B . n B 1 90 GLN 90 85 85 GLN GLN B . n B 1 91 LEU 91 86 86 LEU LEU B . n B 1 92 THR 92 87 87 THR THR B . n B 1 93 VAL 93 88 88 VAL VAL B . n B 1 94 VAL 94 89 89 VAL VAL B . n B 1 95 VAL 95 90 90 VAL VAL B . n B 1 96 GLY 96 91 91 GLY GLY B . n B 1 97 SER 97 92 92 SER SER B . n B 1 98 VAL 98 93 93 VAL VAL B . n B 1 99 LYS 99 94 94 LYS LYS B . n B 1 100 ASN 100 95 95 ASN ASN B . n B 1 101 PRO 101 96 96 PRO PRO B . n B 1 102 MET 102 97 97 MET MET B . n B 1 103 TRP 103 98 98 TRP TRP B . n B 1 104 ARG 104 99 99 ARG ARG B . n B 1 105 GLY 105 100 100 GLY GLY B . n B 1 106 PRO 106 101 101 PRO PRO B . n B 1 107 GLN 107 102 102 GLN GLN B . n B 1 108 ARG 108 103 103 ARG ARG B . n B 1 109 LEU 109 104 104 LEU LEU B . n B 1 110 PRO 110 105 105 PRO PRO B . n B 1 111 VAL 111 106 106 VAL VAL B . n B 1 112 PRO 112 107 107 PRO PRO B . n B 1 113 VAL 113 108 108 VAL VAL B . n B 1 114 ASN 114 109 109 ASN ASN B . n B 1 115 GLU 115 110 110 GLU GLU B . n B 1 116 LEU 116 111 111 LEU LEU B . n B 1 117 PRO 117 112 112 PRO PRO B . n B 1 118 HIS 118 113 113 HIS HIS B . n B 1 119 GLY 119 114 114 GLY GLY B . n B 1 120 TRP 120 115 115 TRP TRP B . n B 1 121 LYS 121 116 116 LYS LYS B . n B 1 122 ALA 122 117 117 ALA ALA B . n B 1 123 TRP 123 118 118 TRP TRP B . n B 1 124 GLY 124 119 119 GLY GLY B . n B 1 125 LYS 125 120 120 LYS LYS B . n B 1 126 SER 126 121 121 SER SER B . n B 1 127 TYR 127 122 122 TYR TYR B . n B 1 128 PHE 128 123 123 PHE PHE B . n B 1 129 VAL 129 124 124 VAL VAL B . n B 1 130 ARG 130 125 125 ARG ARG B . n B 1 131 ALA 131 126 126 ALA ALA B . n B 1 132 ALA 132 127 127 ALA ALA B . n B 1 133 LYS 133 128 128 LYS LYS B . n B 1 134 THR 134 129 129 THR THR B . n B 1 135 ASN 135 130 130 ASN ASN B . n B 1 136 ASN 136 131 131 ASN ASN B . n B 1 137 SER 137 132 132 SER SER B . n B 1 138 PHE 138 133 133 PHE PHE B . n B 1 139 VAL 139 134 134 VAL VAL B . n B 1 140 VAL 140 135 135 VAL VAL B . n B 1 141 ASP 141 136 136 ASP ASP B . n B 1 142 GLY 142 137 137 GLY GLY B . n B 1 143 ASP 143 138 138 ASP ASP B . n B 1 144 THR 144 139 139 THR THR B . n B 1 145 LEU 145 140 140 LEU LEU B . n B 1 146 LYS 146 141 141 LYS LYS B . n B 1 147 GLU 147 142 142 GLU GLU B . n B 1 148 CYS 148 143 143 CYS CYS B . n B 1 149 PRO 149 144 144 PRO PRO B . n B 1 150 LEU 150 145 145 LEU LEU B . n B 1 151 LYS 151 146 146 LYS LYS B . n B 1 152 HIS 152 147 147 HIS HIS B . n B 1 153 ARG 153 148 148 ARG ARG B . n B 1 154 ALA 154 149 149 ALA ALA B . n B 1 155 TRP 155 150 150 TRP TRP B . n B 1 156 ASN 156 151 151 ASN ASN B . n B 1 157 SER 157 152 152 SER SER B . n B 1 158 PHE 158 153 153 PHE PHE B . n B 1 159 LEU 159 154 154 LEU LEU B . n B 1 160 VAL 160 155 155 VAL VAL B . n B 1 161 GLU 161 156 156 GLU GLU B . n B 1 162 ASP 162 157 157 ASP ASP B . n B 1 163 HIS 163 158 158 HIS HIS B . n B 1 164 GLY 164 159 159 GLY GLY B . n B 1 165 PHE 165 160 160 PHE PHE B . n B 1 166 GLY 166 161 161 GLY GLY B . n B 1 167 VAL 167 162 162 VAL VAL B . n B 1 168 PHE 168 163 163 PHE PHE B . n B 1 169 HIS 169 164 164 HIS HIS B . n B 1 170 THR 170 165 165 THR THR B . n B 1 171 SER 171 166 166 SER SER B . n B 1 172 VAL 172 167 167 VAL VAL B . n B 1 173 TRP 173 168 168 TRP TRP B . n B 1 174 LEU 174 169 169 LEU LEU B . n B 1 175 LYS 175 170 170 LYS LYS B . n B 1 176 VAL 176 171 171 VAL VAL B . n B 1 177 ARG 177 172 172 ARG ARG B . n B 1 178 GLU 178 173 173 GLU GLU B . n B 1 179 ASP 179 174 174 ASP ASP B . n B 1 180 TYR 180 175 175 TYR TYR B . n B 1 181 SER 181 176 176 SER SER B . n B 1 182 LEU 182 177 177 LEU LEU B . n B 1 183 GLU 183 178 178 GLU GLU B . n B 1 184 CYS 184 179 179 CYS CYS B . n B 1 185 ASP 185 180 180 ASP ASP B . n B 1 186 PRO 186 181 181 PRO PRO B . n B 1 187 ALA 187 182 182 ALA ALA B . n B 1 188 VAL 188 183 183 VAL VAL B . n B 1 189 ILE 189 184 184 ILE ILE B . n B 1 190 GLY 190 185 185 GLY GLY B . n B 1 191 THR 191 186 186 THR THR B . n B 1 192 ALA 192 187 187 ALA ALA B . n B 1 193 VAL 193 188 188 VAL VAL B . n B 1 194 LYS 194 189 189 LYS LYS B . n B 1 195 GLY 195 190 190 GLY GLY B . n B 1 196 LYS 196 191 191 LYS LYS B . n B 1 197 GLU 197 192 192 GLU GLU B . n B 1 198 ALA 198 193 193 ALA ALA B . n B 1 199 VAL 199 194 194 VAL VAL B . n B 1 200 HIS 200 195 195 HIS HIS B . n B 1 201 SER 201 196 196 SER SER B . n B 1 202 ASP 202 197 197 ASP ASP B . n B 1 203 LEU 203 198 198 LEU LEU B . n B 1 204 GLY 204 199 199 GLY GLY B . n B 1 205 TYR 205 200 200 TYR TYR B . n B 1 206 TRP 206 201 201 TRP TRP B . n B 1 207 ILE 207 202 202 ILE ILE B . n B 1 208 GLU 208 203 203 GLU GLU B . n B 1 209 SER 209 204 204 SER SER B . n B 1 210 GLU 210 205 205 GLU GLU B . n B 1 211 LYS 211 206 206 LYS LYS B . n B 1 212 ASN 212 207 207 ASN ASN B . n B 1 213 ASP 213 208 208 ASP ASP B . n B 1 214 THR 214 209 209 THR THR B . n B 1 215 TRP 215 210 210 TRP TRP B . n B 1 216 ARG 216 211 211 ARG ARG B . n B 1 217 LEU 217 212 212 LEU LEU B . n B 1 218 LYS 218 213 213 LYS LYS B . n B 1 219 ARG 219 214 214 ARG ARG B . n B 1 220 ALA 220 215 215 ALA ALA B . n B 1 221 HIS 221 216 216 HIS HIS B . n B 1 222 LEU 222 217 217 LEU LEU B . n B 1 223 ILE 223 218 218 ILE ILE B . n B 1 224 GLU 224 219 219 GLU GLU B . n B 1 225 MET 225 220 220 MET MET B . n B 1 226 LYS 226 221 221 LYS LYS B . n B 1 227 THR 227 222 222 THR THR B . n B 1 228 CYS 228 223 223 CYS CYS B . n B 1 229 GLU 229 224 224 GLU GLU B . n B 1 230 TRP 230 225 225 TRP TRP B . n B 1 231 PRO 231 226 226 PRO PRO B . n B 1 232 LYS 232 227 227 LYS LYS B . n B 1 233 SER 233 228 228 SER SER B . n B 1 234 HIS 234 229 229 HIS HIS B . n B 1 235 THR 235 230 230 THR THR B . n B 1 236 LEU 236 231 231 LEU LEU B . n B 1 237 TRP 237 232 232 TRP TRP B . n B 1 238 THR 238 233 233 THR THR B . n B 1 239 ASP 239 234 234 ASP ASP B . n B 1 240 GLY 240 235 235 GLY GLY B . n B 1 241 ILE 241 236 236 ILE ILE B . n B 1 242 GLU 242 237 237 GLU GLU B . n B 1 243 GLU 243 238 238 GLU GLU B . n B 1 244 SER 244 239 239 SER SER B . n B 1 245 ASP 245 240 240 ASP ASP B . n B 1 246 LEU 246 241 241 LEU LEU B . n B 1 247 ILE 247 242 242 ILE ILE B . n B 1 248 ILE 248 243 243 ILE ILE B . n B 1 249 PRO 249 244 244 PRO PRO B . n B 1 250 LYS 250 245 245 LYS LYS B . n B 1 251 SER 251 246 246 SER SER B . n B 1 252 LEU 252 247 247 LEU LEU B . n B 1 253 ALA 253 248 248 ALA ALA B . n B 1 254 GLY 254 249 249 GLY GLY B . n B 1 255 PRO 255 250 250 PRO PRO B . n B 1 256 LEU 256 251 251 LEU LEU B . n B 1 257 SER 257 252 252 SER SER B . n B 1 258 HIS 258 253 253 HIS HIS B . n B 1 259 HIS 259 254 254 HIS HIS B . n B 1 260 ASN 260 255 255 ASN ASN B . n B 1 261 THR 261 256 256 THR THR B . n B 1 262 ARG 262 257 257 ARG ARG B . n B 1 263 GLU 263 258 258 GLU GLU B . n B 1 264 GLY 264 259 259 GLY GLY B . n B 1 265 TYR 265 260 260 TYR TYR B . n B 1 266 ARG 266 261 261 ARG ARG B . n B 1 267 THR 267 262 262 THR THR B . n B 1 268 GLN 268 263 263 GLN GLN B . n B 1 269 MET 269 264 264 MET MET B . n B 1 270 LYS 270 265 265 LYS LYS B . n B 1 271 GLY 271 266 266 GLY GLY B . n B 1 272 PRO 272 267 267 PRO PRO B . n B 1 273 TRP 273 268 268 TRP TRP B . n B 1 274 HIS 274 269 269 HIS HIS B . n B 1 275 SER 275 270 270 SER SER B . n B 1 276 GLU 276 271 271 GLU GLU B . n B 1 277 GLU 277 272 272 GLU GLU B . n B 1 278 LEU 278 273 273 LEU LEU B . n B 1 279 GLU 279 274 274 GLU GLU B . n B 1 280 ILE 280 275 275 ILE ILE B . n B 1 281 ARG 281 276 276 ARG ARG B . n B 1 282 PHE 282 277 277 PHE PHE B . n B 1 283 GLU 283 278 278 GLU GLU B . n B 1 284 GLU 284 279 279 GLU GLU B . n B 1 285 CYS 285 280 280 CYS CYS B . n B 1 286 PRO 286 281 281 PRO PRO B . n B 1 287 GLY 287 282 282 GLY GLY B . n B 1 288 THR 288 283 283 THR THR B . n B 1 289 LYS 289 284 284 LYS LYS B . n B 1 290 VAL 290 285 285 VAL VAL B . n B 1 291 HIS 291 286 286 HIS HIS B . n B 1 292 VAL 292 287 287 VAL VAL B . n B 1 293 GLU 293 288 288 GLU GLU B . n B 1 294 GLU 294 289 289 GLU GLU B . n B 1 295 THR 295 290 290 THR THR B . n B 1 296 CYS 296 291 291 CYS CYS B . n B 1 297 GLY 297 292 292 GLY GLY B . n B 1 298 THR 298 293 293 THR THR B . n B 1 299 ARG 299 294 294 ARG ARG B . n B 1 300 GLY 300 295 295 GLY GLY B . n B 1 301 PRO 301 296 296 PRO PRO B . n B 1 302 SER 302 297 297 SER SER B . n B 1 303 LEU 303 298 298 LEU LEU B . n B 1 304 ARG 304 299 299 ARG ARG B . n B 1 305 SER 305 300 300 SER SER B . n B 1 306 THR 306 301 301 THR THR B . n B 1 307 THR 307 302 302 THR THR B . n B 1 308 ALA 308 303 303 ALA ALA B . n B 1 309 SER 309 304 304 SER SER B . n B 1 310 GLY 310 305 305 GLY GLY B . n B 1 311 ARG 311 306 306 ARG ARG B . n B 1 312 VAL 312 307 307 VAL VAL B . n B 1 313 ILE 313 308 308 ILE ILE B . n B 1 314 GLU 314 309 309 GLU GLU B . n B 1 315 GLU 315 310 310 GLU GLU B . n B 1 316 TRP 316 311 311 TRP TRP B . n B 1 317 CYS 317 312 312 CYS CYS B . n B 1 318 CYS 318 313 313 CYS CYS B . n B 1 319 ARG 319 314 314 ARG ARG B . n B 1 320 GLU 320 315 315 GLU GLU B . n B 1 321 CYS 321 316 316 CYS CYS B . n B 1 322 THR 322 317 317 THR THR B . n B 1 323 MET 323 318 318 MET MET B . n B 1 324 PRO 324 319 319 PRO PRO B . n B 1 325 PRO 325 320 320 PRO PRO B . n B 1 326 LEU 326 321 321 LEU LEU B . n B 1 327 SER 327 322 322 SER SER B . n B 1 328 PHE 328 323 323 PHE PHE B . n B 1 329 ARG 329 324 324 ARG ARG B . n B 1 330 ALA 330 325 325 ALA ALA B . n B 1 331 LYS 331 326 326 LYS LYS B . n B 1 332 ASP 332 327 327 ASP ASP B . n B 1 333 GLY 333 328 328 GLY GLY B . n B 1 334 CYS 334 329 329 CYS CYS B . n B 1 335 TRP 335 330 330 TRP TRP B . n B 1 336 TYR 336 331 331 TYR TYR B . n B 1 337 GLY 337 332 332 GLY GLY B . n B 1 338 MET 338 333 333 MET MET B . n B 1 339 GLU 339 334 334 GLU GLU B . n B 1 340 ILE 340 335 335 ILE ILE B . n B 1 341 ARG 341 336 336 ARG ARG B . n B 1 342 PRO 342 337 337 PRO PRO B . n B 1 343 ARG 343 338 338 ARG ARG B . n B 1 344 LYS 344 339 339 LYS LYS B . n B 1 345 GLU 345 340 340 GLU GLU B . n B 1 346 PRO 346 341 341 PRO PRO B . n B 1 347 GLU 347 342 342 GLU GLU B . n B 1 348 SER 348 343 343 SER SER B . n B 1 349 ASN 349 344 344 ASN ASN B . n B 1 350 LEU 350 345 345 LEU LEU B . n B 1 351 VAL 351 346 346 VAL VAL B . n B 1 352 ARG 352 347 347 ARG ARG B . n B 1 353 SER 353 348 348 SER SER B . n B 1 354 MET 354 349 349 MET MET B . n B 1 355 VAL 355 350 350 VAL VAL B . n B 1 356 THR 356 351 351 THR THR B . n B 1 357 ALA 357 352 352 ALA ALA B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 601 601 NAG NAG A . D 2 NAG 1 601 601 NAG NAG B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5000 ? 1 MORE -14 ? 1 'SSA (A^2)' 31710 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-10-05 2 'Structure model' 1 1 2016-11-16 # _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 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 217.4874 95.1628 9.8170 0.3964 0.5663 0.4341 -0.0043 0.0135 0.0503 0.9389 0.8335 0.6059 -0.0185 0.2301 -0.0277 -0.0616 0.1401 0.1657 0.0137 -0.0256 0.2188 -0.1429 -0.0438 0.0000 'X-RAY DIFFRACTION' 2 ? refined 240.2154 65.0424 17.9040 0.3911 0.5320 0.5420 -0.0170 -0.0419 0.0925 0.8989 1.1408 1.0334 -0.1879 0.1475 -0.1302 0.0831 -0.2051 -0.3025 0.0720 0.1000 0.0366 0.1254 0.0173 0.0000 # 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' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'chain B' # 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 ? ? ? 1.9_1692 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OD1 _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 ASP _pdbx_validate_close_contact.auth_seq_id_1 7 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 CE _pdbx_validate_close_contact.auth_asym_id_2 B _pdbx_validate_close_contact.auth_comp_id_2 LYS _pdbx_validate_close_contact.auth_seq_id_2 10 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.85 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 CB A GLU 237 ? ? 1_555 NH2 B ARG 261 ? ? 5_1055 1.97 2 1 NE2 B HIS -3 ? ? 1_555 CG2 B THR 13 ? ? 8_885 2.18 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 N B LYS 10 ? ? CA B LYS 10 ? ? CB B LYS 10 ? ? 86.95 110.60 -23.65 1.80 N 2 1 CB B ARG 62 ? ? CA B ARG 62 ? ? C B ARG 62 ? ? 96.48 110.40 -13.92 2.00 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LYS A 11 ? ? 53.24 80.92 2 1 ASP A 24 ? ? -94.08 30.59 3 1 GLU A 26 ? ? 65.94 103.48 4 1 ALA A 27 ? ? -55.69 89.87 5 1 TRP A 28 ? ? -39.37 85.07 6 1 ARG A 31 ? ? -151.56 79.11 7 1 ASP A 37 ? ? 58.08 -170.49 8 1 GLN A 85 ? ? -65.20 85.38 9 1 ASN A 109 ? ? -158.67 71.70 10 1 ASP A 136 ? ? 55.11 -156.00 11 1 THR A 139 ? ? -142.38 21.44 12 1 CYS A 143 ? ? -166.69 101.99 13 1 GLU A 156 ? ? -67.94 -171.72 14 1 ASP A 197 ? ? -156.38 -158.75 15 1 ASN A 207 ? ? -94.03 -110.78 16 1 LEU A 251 ? ? -67.12 77.83 17 1 ASN A 255 ? ? -95.41 39.34 18 1 ARG A 261 ? ? -116.17 -162.37 19 1 LYS A 265 ? ? -104.88 40.38 20 1 GLU A 315 ? ? -154.14 23.07 21 1 MET A 349 ? ? -101.49 42.89 22 1 PHE B 8 ? ? -99.64 42.44 23 1 SER B 9 ? ? -172.46 -36.95 24 1 THR B 13 ? ? -164.76 104.15 25 1 ASP B 37 ? ? 59.45 -172.39 26 1 ASN B 82 ? ? -99.64 30.66 27 1 GLN B 85 ? ? -69.27 84.51 28 1 ASN B 109 ? ? -163.54 72.68 29 1 TRP B 115 ? ? -109.40 -125.46 30 1 LYS B 116 ? ? -132.98 -65.71 31 1 ASP B 136 ? ? 55.65 -153.30 32 1 THR B 139 ? ? -141.72 22.44 33 1 CYS B 143 ? ? -162.49 99.81 34 1 GLU B 156 ? ? -66.67 -171.71 35 1 ASP B 197 ? ? -145.20 -149.42 36 1 ASP B 208 ? ? 67.87 -59.66 37 1 TRP B 232 ? ? 49.48 71.06 38 1 ILE B 242 ? ? -105.20 -62.47 39 1 LEU B 251 ? ? -69.59 78.23 40 1 ASN B 255 ? ? -88.66 39.86 41 1 LYS B 265 ? ? -97.27 38.28 42 1 GLU B 315 ? ? -158.73 34.32 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ARG 29 ? CD ? A ARG 34 CD 2 1 Y 1 A ARG 29 ? NE ? A ARG 34 NE 3 1 Y 1 A ARG 29 ? CZ ? A ARG 34 CZ 4 1 Y 1 A ARG 29 ? NH1 ? A ARG 34 NH1 5 1 Y 1 A ARG 29 ? NH2 ? A ARG 34 NH2 6 1 Y 1 A ASP 30 ? OD1 ? A ASP 35 OD1 7 1 Y 1 A ASP 30 ? OD2 ? A ASP 35 OD2 8 1 Y 1 B PHE 163 ? CB ? B PHE 168 CB 9 1 Y 1 B PHE 163 ? CG ? B PHE 168 CG 10 1 Y 1 B PHE 163 ? CD1 ? B PHE 168 CD1 11 1 Y 1 B PHE 163 ? CD2 ? B PHE 168 CD2 12 1 Y 1 B PHE 163 ? CE1 ? B PHE 168 CE1 13 1 Y 1 B PHE 163 ? CE2 ? B PHE 168 CE2 14 1 Y 1 B PHE 163 ? CZ ? B PHE 168 CZ # 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 HIS -4 ? A HIS 1 2 1 Y 1 A HIS -3 ? A HIS 2 3 1 Y 1 A HIS -2 ? A HIS 3 4 1 Y 1 A HIS -1 ? A HIS 4 5 1 Y 1 A HIS 0 ? A HIS 5 6 1 Y 1 B GLU 26 ? B GLU 31 7 1 Y 1 B ALA 27 ? B ALA 32 8 1 Y 1 B TRP 28 ? B TRP 33 9 1 Y 1 B ARG 29 ? B ARG 34 10 1 Y 1 B ASP 30 ? B ASP 35 11 1 Y 1 B ARG 31 ? B ARG 36 12 1 Y 1 B TYR 32 ? B TYR 37 13 1 Y 1 B LYS 33 ? B LYS 38 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #