data_3mra_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3mra _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.573 0.225 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.405 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.412 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.438 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.438 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' ILE . . . . . 0.412 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.6 ttt 75.44 26.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 154.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.68 -88.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 159.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -51.55 -41.05 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 14.6 m -56.51 -32.85 65.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m -66.8 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -82.0 -57.05 3.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.579 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -99.97 77.97 2.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 174.341 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 11.4 ttt 78.97 -61.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -44.27 -39.36 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.43 -24.84 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -165.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m -53.45 -32.67 51.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.433 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m -66.64 -34.48 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -81.98 -57.28 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.603 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.0 78.11 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 174.137 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' MET . . . . . 0.4 ' C ' ' N ' ' A' ' 280' ' ' PHE . 58.7 ttp -144.79 -49.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.833 HD11 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -41.85 -30.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 168.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.833 ' N ' HD11 ' A' ' 279' ' ' LEU . 68.7 t80 -50.95 -37.37 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -34.78 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' THR . . . . . 0.403 HG21 ' HD1' ' A' ' 299' ' ' HIS . 5.9 t -82.17 -10.15 59.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . 0.403 ' HD1' HG21 ' A' ' 298' ' ' THR . 0.3 OUTLIER -82.04 -29.24 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 169.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -99.81 71.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.638 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 280' ' ' PHE . 42.4 ttm -152.97 68.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.752 HD11 ' H ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -48.41 -25.51 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 173.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.514 ' N ' HD23 ' A' ' 279' ' ' LEU . 81.8 t80 -70.19 -24.91 63.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -153.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m -53.54 -33.13 53.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t -72.82 -20.96 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.11 -39.33 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.548 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -99.91 -16.78 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -170.472 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.488 0.185 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 12.4 tpp -79.11 121.14 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.84 HD11 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -42.06 -30.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.84 ' N ' HD11 ' A' ' 279' ' ' LEU . 90.4 t80 -51.95 -42.27 62.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m -53.66 -37.7 63.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.405 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p -83.75 -25.56 30.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.29 -41.51 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.613 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -118.8 119.82 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.62 -50.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -43.49 -38.75 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.71 -24.97 67.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -168.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m -51.33 -36.91 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m -70.58 -23.22 62.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -77.77 -27.78 50.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -99.95 76.5 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.57 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 178.362 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.771 HD11 ' H ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.531 ' N ' HD23 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.412 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' MET . . . . . 0.842 ' C ' HD11 ' A' ' 279' ' ' LEU . 0.7 OUTLIER -91.0 156.05 18.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 -179.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.915 HD11 ' N ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -117.58 -93.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 174.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -56.0 -40.58 73.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -175.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.438 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.438 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m -64.14 -28.06 69.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -77.51 -14.54 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -99.79 -33.37 10.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.582 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.477 0.18 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 21.8 ttt -146.58 -63.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.551 HD21 ' H ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER 164.08 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -163.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.551 ' H ' HD21 ' A' ' 279' ' ' LEU . 86.7 t80 -47.81 -41.12 22.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 168.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m -55.36 -33.11 63.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t -76.79 -19.97 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -78.85 -39.4 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.632 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -99.96 83.37 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.561 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 177.716 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.192 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.4 tpt -77.9 90.2 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 280' ' ' PHE . 0.1 OUTLIER -45.83 -44.51 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -174.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 279' ' ' LEU . 92.0 t80 -53.26 -41.47 65.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -168.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -59.43 -31.81 69.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m -69.21 -29.95 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -76.28 -44.14 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.627 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -100.01 49.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.616 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 178.165 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . 0.771 HD11 ' H ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' PHE . . . . . 0.531 ' N ' HD23 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' ILE . . . . . 0.412 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.573 0.225 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.41 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.436 ' N ' ' HG1' ' A' ' 281' ' ' THR . 14.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.6 ttt 75.44 26.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 154.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.68 -88.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 159.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -51.55 -41.05 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' THR . . . . . 0.436 ' HG1' ' N ' ' A' ' 277' ' ' TYR . 14.6 m -56.51 -32.85 65.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m -66.8 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -82.0 -57.05 3.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.579 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -99.97 77.97 2.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 174.341 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 11.4 ttt 78.97 -61.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -44.27 -39.36 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.43 -24.84 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -165.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m -53.45 -32.67 51.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.433 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m -66.64 -34.48 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -81.98 -57.28 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.603 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.0 78.11 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 174.137 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' MET . . . . . 0.4 ' C ' ' N ' ' A' ' 280' ' ' PHE . 58.7 ttp -144.79 -49.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -41.85 -30.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 168.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 279' ' ' LEU . 68.7 t80 -50.95 -37.37 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -34.78 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.41 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.9 t -82.17 -10.15 59.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.04 -29.24 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -99.81 71.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.638 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 278' ' ' MET . . . . . 0.425 ' C ' ' H ' ' A' ' 280' ' ' PHE . 42.4 ttm -152.97 68.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.809 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -48.41 -25.51 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 173.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.518 ' N ' HD22 ' A' ' 279' ' ' LEU . 81.8 t80 -70.19 -24.91 63.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -153.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m -53.54 -33.13 53.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t -72.82 -20.96 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.11 -39.33 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.548 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -99.91 -16.78 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -170.472 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.488 0.185 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 12.4 tpp -79.11 121.14 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -42.06 -30.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.833 ' N ' HD13 ' A' ' 279' ' ' LEU . 90.4 t80 -51.95 -42.27 62.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m -53.66 -37.7 63.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p -83.75 -25.56 30.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.29 -41.51 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.613 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -118.8 119.82 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.62 -50.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -43.49 -38.75 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.71 -24.97 67.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -168.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m -51.33 -36.91 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m -70.58 -23.22 62.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -77.77 -27.78 50.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -99.95 76.5 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.57 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 178.362 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 278' ' ' MET . . . . . 0.416 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.538 ' N ' HD22 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' MET . . . . . 0.83 ' C ' HD13 ' A' ' 279' ' ' LEU . 0.7 OUTLIER -91.0 156.05 18.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 -179.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -117.58 -93.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 174.34 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -56.0 -40.58 73.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -175.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m -64.14 -28.06 69.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -77.51 -14.54 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -99.79 -33.37 10.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.582 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.477 0.18 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 21.8 ttt -146.58 -63.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER 164.08 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -163.513 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.563 ' H ' HD23 ' A' ' 279' ' ' LEU . 86.7 t80 -47.81 -41.12 22.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 168.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m -55.36 -33.11 63.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t -76.79 -19.97 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -78.85 -39.4 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.632 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -99.96 83.37 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.561 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 177.716 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.192 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.4 tpt -77.9 90.2 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 280' ' ' PHE . 0.1 OUTLIER -45.83 -44.51 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -174.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.42 ' N ' ' HG ' ' A' ' 279' ' ' LEU . 92.0 t80 -53.26 -41.47 65.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -168.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -59.43 -31.81 69.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m -69.21 -29.95 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -76.28 -44.14 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.627 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -100.01 49.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.616 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 178.165 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 278' ' ' MET . . . . . 0.416 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 280' ' ' PHE . . . . . 0.538 ' N ' HD22 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.573 0.225 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.41 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.576 0.227 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.436 ' N ' ' HG1' ' A' ' 281' ' ' THR . 14.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.6 ttt 75.44 26.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 154.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.68 -88.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 159.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -51.55 -41.05 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . 0.436 ' HG1' ' N ' ' A' ' 277' ' ' TYR . 14.6 m -56.51 -32.85 65.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.4 mtp -61.13 -29.88 70.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -27.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.79 -33.85 76.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.4 t -83.82 -33.33 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.83 -47.06 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.08 -36.86 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -80.69 -36.32 32.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.48 -51.66 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.1 mt -60.08 -52.98 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.34 -35.08 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -172.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.4 m -64.11 -46.74 82.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.96 -27.47 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.76 -35.74 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.34 -56.25 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -55.54 -32.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.64 -42.83 57.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 29.3 m -66.8 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -82.0 -57.05 3.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.579 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -99.97 77.97 2.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 174.341 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 11.4 ttt 78.97 -61.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 171.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -44.27 -39.36 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.43 -24.84 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -165.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 13.6 m -53.45 -32.67 51.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.433 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 91.4 mtp -60.15 -29.94 68.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -28.23 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -175.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -62.73 -33.8 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -83.78 -33.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -55.85 -47.01 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.959 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.2 t -80.61 -36.43 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.001 -171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.41 -51.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.03 -52.99 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.31 -35.03 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -172.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 m -64.21 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 32.9 t -66.0 -27.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.71 -35.8 25.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 10.9 t -61.34 -56.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.62 -32.25 30.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -74.54 -42.99 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 28.2 m -66.64 -34.48 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.366 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -81.98 -57.28 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.603 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.0 78.11 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 174.137 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . 0.4 ' C ' ' N ' ' A' ' 280' ' ' PHE . 58.7 ttp -144.79 -49.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -41.85 -30.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 168.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 279' ' ' LEU . 68.7 t80 -50.95 -37.37 43.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -34.78 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.21 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.41 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.09 -25.66 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -176.267 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -62.87 -34.77 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.07 -37.17 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 283' ' ' ILE . 34.6 mt -54.3 -44.74 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 172.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -56.12 -36.99 68.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.6 t -81.51 -35.11 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.64 -51.86 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.5 mt -59.76 -53.17 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.16 -35.17 67.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.8 m -64.01 -46.91 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.73 -27.38 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.63 -36.09 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.83 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.62 -33.68 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -71.77 -49.35 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.9 t -82.17 -10.15 59.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.04 -29.24 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -99.81 71.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.638 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . 0.425 ' C ' ' H ' ' A' ' 280' ' ' PHE . 42.4 ttm -152.97 68.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.809 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -48.41 -25.51 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 173.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.518 ' N ' HD22 ' A' ' 279' ' ' LEU . 81.8 t80 -70.19 -24.91 63.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -153.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 17.9 m -53.54 -33.13 53.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 71.7 mtm -60.47 -29.91 69.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -27.98 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.86 -33.9 76.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.06 -32.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.35 -47.85 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.56 -37.06 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -79.45 -37.86 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 74.2 mt -58.27 -52.09 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.53 -56.27 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.8 mt -61.14 -35.11 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.2 m -62.19 -47.49 84.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.86 -27.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.36 -35.33 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.45 -55.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.68 -32.87 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.01 -55.57 5.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.6 t -72.82 -20.96 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -168.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.11 -39.33 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.548 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -99.91 -16.78 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -170.472 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.488 0.185 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 12.4 tpp -79.11 121.14 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER -42.06 -30.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.833 ' N ' HD13 ' A' ' 279' ' ' LEU . 90.4 t80 -51.95 -42.27 62.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.0 m -53.66 -37.7 63.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.2 tpp -61.35 -29.9 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.24 -28.94 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -176.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.41 -33.87 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.01 -33.51 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 7.6 mm -54.82 -45.43 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.307 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.18 -37.14 66.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 46.1 t -81.59 -34.92 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.99 -51.73 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.64 -52.97 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.9 -35.93 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.3 m -63.3 -46.83 84.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.81 -26.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.3 t -76.15 -36.4 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.47 -56.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.4 mt -54.09 -33.31 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -66.34 -44.91 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 109.311 -174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 12.4 p -83.75 -25.56 30.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.29 -41.51 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.613 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -118.8 119.82 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.62 -50.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -43.49 -38.75 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.71 -24.97 67.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -168.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 18.3 m -51.33 -36.91 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 92.9 mtp -61.82 -29.86 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.28 -27.61 33.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -176.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.21 -34.62 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.36 -35.99 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 63.4 mt -54.48 -45.02 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 175.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -54.93 -37.27 66.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.4 t -81.42 -35.42 30.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.47 -51.83 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.18 -56.84 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.59 -35.2 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.7 m -61.89 -48.2 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.0 -27.71 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.8 t -76.45 -35.52 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.78 -55.69 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.14 -31.78 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.22 -42.34 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 63.7 m -70.58 -23.22 62.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -77.77 -27.78 50.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -99.95 76.5 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.57 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 178.362 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . 0.416 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.538 ' N ' HD22 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . 0.83 ' C ' HD13 ' A' ' 279' ' ' LEU . 0.7 OUTLIER -91.0 156.05 18.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 -179.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -117.58 -93.62 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 174.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -56.0 -40.58 73.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.8 m -57.41 -33.47 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -175.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 15.6 tpt -60.6 -29.9 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.23 -28.44 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -176.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.1 -34.44 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 28.7 t -88.33 -35.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 58.8 mt -54.45 -45.52 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -55.93 -32.1 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.91 -33.66 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 86.7 mt -57.93 -52.78 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.3 mt -60.73 -54.29 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.36 -36.03 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -173.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.9 m -62.79 -48.6 78.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 33.5 t -64.54 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.51 -35.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.1 -55.28 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 174.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.53 -32.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.85 -40.86 60.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 53.3 m -64.14 -28.06 69.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -77.51 -14.54 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.599 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -99.79 -33.37 10.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 109.582 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.477 0.18 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 21.8 ttt -146.58 -63.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 280' ' ' PHE . 0.0 OUTLIER 164.08 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -163.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.563 ' H ' HD23 ' A' ' 279' ' ' LEU . 86.7 t80 -47.81 -41.12 22.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 168.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 5.9 m -55.36 -33.11 63.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.4 ttm -60.11 -29.97 68.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -28.34 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.66 -34.16 76.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.9 t -83.95 -32.24 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.6 mm -56.06 -47.55 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.1 t -54.13 -32.39 55.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.7 t -88.13 -35.36 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -168.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.14 -52.27 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.03 -58.52 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.86 -35.06 54.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -49.42 76.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.73 -28.02 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.63 -35.8 26.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.44 -55.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 46.4 mt -53.24 -33.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -75.05 -49.57 19.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.3 t -76.79 -19.97 56.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -170.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -78.85 -39.4 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.632 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -99.96 83.37 2.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.561 -172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 177.716 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.504 0.192 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 10.4 tpt -77.9 90.2 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 280' ' ' PHE . 0.1 OUTLIER -45.83 -44.51 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -174.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.42 ' N ' ' HG ' ' A' ' 279' ' ' LEU . 92.0 t80 -53.26 -41.47 65.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -168.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -59.43 -31.81 69.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 49.7 tpp -59.51 -29.88 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -28.42 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.6 t -82.89 -34.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.77 -47.2 79.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -32.42 56.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -88.41 -34.88 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.3 -52.4 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.8 mt -60.94 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.0 mt -58.59 -35.59 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 3.4 m -61.33 -49.52 76.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -27.86 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 5.3 t -76.31 -35.0 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.94 -55.74 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.29 -31.96 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.49 -41.03 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 65.3 m -69.21 -29.95 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -76.28 -44.14 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.627 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -100.01 49.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.616 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 178.165 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.517 0.198 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 80.5 mmm 49.39 74.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.7 -36.81 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -50.05 -42.03 48.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 11.6 m -58.82 -32.08 69.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.396 -173.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 43.7 ttp -60.89 -29.91 69.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.999 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 286' ' ' ILE . 0.4 OUTLIER -58.04 -26.64 29.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -176.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.96 -34.59 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 26.8 t -84.49 -36.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 283' ' ' ILE . 45.4 mt -55.11 -46.14 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 172.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.11 -37.14 66.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 44.3 t -80.37 -36.7 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -171.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.45 -52.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 27.7 mt -60.22 -56.59 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -176.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.0 -35.01 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 5.0 m -62.11 -47.81 82.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.56 -27.53 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.27 -35.94 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.31 -55.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 7.4 mm -53.55 -33.98 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -72.6 -52.56 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -173.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 6.4 t -75.97 -18.01 59.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.57 -45.28 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.557 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -99.96 51.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.643 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 170.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.513 0.197 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . . . . . . . . . 71.7 mmm 56.77 100.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 3.0 pp -42.95 -37.71 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 171.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.57 -29.6 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 -171.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 23.1 m -48.32 -41.83 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 46.8 ttm -62.41 -29.85 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.35 -27.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -176.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -57.17 -34.64 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 30.4 t -89.29 -36.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.7 mt -54.34 -44.69 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.09 -37.23 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.58 -35.23 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.51 -51.74 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.5 mt -60.22 -56.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.7 mt -60.62 -34.87 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -172.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.8 m -62.17 -48.39 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.401 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.59 -27.76 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.77 -35.56 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.39 -55.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.05 -33.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.63 -52.04 12.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -174.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 5.7 t -74.56 -15.31 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -172.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -76.96 -21.57 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.555 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -99.88 -65.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 -171.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -168.547 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' MET . . . . . 0.416 ' C ' ' H ' ' A' ' 280' ' ' PHE . 16.9 tpt -80.17 -47.43 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 279' ' ' LEU . 0.0 OUTLIER -49.85 -25.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 178.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' PHE . . . . . 0.538 ' N ' HD22 ' A' ' 279' ' ' LEU . 74.2 t80 -73.65 -24.99 60.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -151.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' THR . . . . . . . . . . . . . 19.4 m -52.37 -35.31 51.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' MET . . . . . . . . . . . . . 17.7 tpt -61.62 -29.94 70.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 286' ' ' ILE . 0.3 OUTLIER -58.22 -27.24 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 -177.263 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -57.93 -34.42 69.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' VAL . . . . . . . . . . . . . 29.6 t -88.6 -36.47 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 283' ' ' ILE . 64.6 mt -54.3 -44.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' SER . . . . . . . . . . . . . 1.3 t -55.02 -37.31 66.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' SER . . . . . . . . . . . . . 43.8 t -81.57 -35.24 30.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.49 -51.73 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.24 -56.89 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.62 -35.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 4.6 m -62.15 -48.24 80.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 26.3 t -65.8 -27.71 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' VAL . . . . . . . . . . . . . 4.9 t -76.57 -35.46 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.49 -55.73 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . . . . . . . . . 42.4 mt -54.91 -32.56 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -74.56 -41.43 60.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' THR . . . . . . . . . . . . . 52.6 m -64.97 -32.05 73.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -42.13 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -99.91 90.42 4.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -177.257 . . . . . . . . 1 1 . 1 stop_ save_